#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbq s GLU 2 N 0.00 0.98 -0.20 1.43 2.12 -1.26 -4.86 118.70 116.92 1wbq s GLU 2 Ca 0.00 -1.04 -0.17 0.00 0.36 0.00 0.00 54.97 54.12 1wbq s GLU 2 Cb 0.00 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 1wbq s GLU 2 CO 0.00 -0.34 0.46 0.42 -0.54 0.00 0.00 175.26 175.27 1wbq s ILE 3 N -3.90 5.15 0.73 -3.70 -1.09 -1.26 -4.93 121.20 112.20 1wbq s ILE 3 Ca 0.10 0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 59.25 1wbq s ILE 3 Cb 0.04 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1wbq s ILE 3 CO -0.06 0.22 1.08 -0.94 -1.23 0.00 0.00 174.94 174.00 1wbq s SER 4 N 1.08 5.12 0.25 3.58 1.04 -1.26 -4.96 113.70 118.54 1wbq s SER 4 Ca 0.22 1.40 -0.04 0.00 0.48 0.00 0.00 55.95 58.01 1wbq s SER 4 Cb -0.15 -2.23 0.41 0.00 0.10 0.00 0.00 66.02 64.15 1wbq s SER 4 CO 0.09 -1.58 1.80 0.03 0.98 0.00 0.00 173.24 174.56 1wbq h ARG 5 N -0.82 0.75 -0.47 4.02 3.08 -1.97 -2.91 114.38 116.05 1wbq h ARG 5 Ca -0.45 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 1wbq h ARG 5 Cb 1.24 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1wbq h ARG 5 CO 0.59 0.49 0.07 1.96 -1.07 0.00 0.00 179.97 182.02 1wbq h GLN 6 N 0.77 0.73 -0.23 0.04 7.50 -1.99 -2.50 115.11 119.43 1wbq h GLN 6 Ca 0.40 -0.16 -0.01 0.00 0.50 0.00 0.00 58.65 59.38 1wbq h GLN 6 Cb 0.39 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 1wbq h GLN 6 CO -0.26 0.70 0.10 1.49 -1.50 0.00 0.00 178.83 179.35 1wbq h GLU 7 N 0.70 0.34 -0.96 1.46 4.57 -1.90 0.24 114.58 119.03 1wbq h GLU 7 Ca 0.15 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1wbq h GLU 7 Cb 0.33 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.80 1wbq h GLU 7 CO 0.00 0.38 0.63 0.74 -1.18 0.00 0.00 179.01 179.58 1wbq h PHE 8 N 0.22 1.17 -0.31 0.92 0.04 -1.40 -1.15 116.94 116.44 1wbq h PHE 8 Ca 0.08 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1wbq h PHE 8 Cb 0.17 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1wbq h PHE 8 CO -0.01 0.65 0.13 0.37 -0.60 0.00 0.00 178.31 178.85 1wbq h GLN 9 N 1.19 0.45 -0.80 1.51 5.75 -1.17 -2.17 115.11 119.87 1wbq h GLN 9 Ca 0.39 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.89 1wbq h GLN 9 Cb 0.05 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.46 1wbq h GLN 9 CO -0.14 0.45 0.47 0.00 -2.65 0.00 0.00 178.83 176.95 1wbq h ARG 10 N 0.35 0.80 -0.33 1.69 3.08 -0.44 -1.63 114.38 117.90 1wbq h ARG 10 Ca 0.10 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1wbq h ARG 10 Cb 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1wbq h ARG 10 CO -0.01 0.53 0.06 0.00 -1.07 0.00 0.00 179.97 179.48 1wbq h ARG 11 N 0.82 0.54 -0.27 0.04 3.08 -1.07 -0.19 114.38 117.33 1wbq h ARG 11 Ca 0.36 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.29 1wbq h ARG 11 Cb 0.25 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1wbq h ARG 11 CO -0.21 0.62 0.14 0.00 -1.07 0.00 0.00 179.97 179.45 1wbq h ARG 12 N 0.37 0.28 -0.22 0.04 3.08 -1.15 -2.03 114.38 114.75 1wbq h ARG 12 Ca 0.10 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1wbq h ARG 12 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1wbq h ARG 12 CO 0.00 0.19 -0.08 1.96 -1.07 0.00 0.00 179.97 180.98 1wbq h GLN 13 N 0.29 0.34 -0.31 0.04 1.08 -1.16 -1.01 115.11 114.39 1wbq h GLN 13 Ca 0.11 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 1wbq h GLN 13 Cb 0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1wbq h GLN 13 CO -0.07 0.44 -0.26 0.00 -0.95 0.00 0.00 178.83 177.98 1wbq h ALA 14 N 1.60 0.96 -0.01 3.87 0.00 -0.71 0.01 119.26 124.97 1wbq h ALA 14 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wbq h ALA 14 Cb 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wbq h ALA 14 CO 0.02 0.61 -0.00 1.25 0.00 0.00 0.00 179.25 181.12 1wbq h LEU 15 N 0.54 0.02 -1.21 0.00 5.85 -0.97 -3.21 115.31 116.33 1wbq h LEU 15 Ca 0.07 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1wbq h LEU 15 Cb 0.74 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1wbq h LEU 15 CO 0.06 0.36 0.55 0.58 -0.34 0.00 0.00 178.44 179.64 1wbq h VAL 16 N -0.31 1.10 -0.57 1.05 2.07 -1.04 -0.70 116.25 117.85 1wbq h VAL 16 Ca 0.00 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1wbq h VAL 16 Cb 0.35 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1wbq h VAL 16 CO 0.00 0.18 0.38 -0.08 0.02 0.00 0.00 177.57 178.07 1wbq h GLU 17 N 1.00 0.54 -0.00 1.57 4.22 -1.04 -1.81 114.58 119.06 1wbq h GLU 17 Ca 0.34 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.75 1wbq h GLU 17 Cb 0.11 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1wbq h GLU 17 CO -0.11 0.36 -0.21 1.04 -2.18 0.00 0.00 179.01 177.91 1wbq n GLN 18 N -4.47 0.21 -3.00 1.92 6.02 -0.30 -4.90 117.38 112.86 1wbq n GLN 18 Ca 0.08 -0.08 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1wbq n GLN 18 Cb 0.22 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 1wbq n GLN 18 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1wbq s MET 19 N -2.84 4.19 0.59 -1.09 -1.94 -0.68 -5.05 119.30 112.47 1wbq s MET 19 Ca 0.17 0.92 -0.19 0.00 -1.71 0.00 0.00 55.69 54.88 1wbq s MET 19 Cb 0.19 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.51 1wbq s MET 19 CO 0.57 0.16 1.19 -0.65 -0.01 0.00 0.00 175.02 176.29 1wbq s GLN 20 N -2.74 2.98 0.64 2.03 -0.21 -1.26 -5.01 119.66 116.09 1wbq s GLN 20 Ca 0.54 1.77 -0.17 0.00 0.02 0.00 0.00 55.36 57.51 1wbq s GLN 20 Cb -0.12 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 31.94 1wbq s GLN 20 CO 0.18 -1.18 1.20 -1.25 -2.12 0.00 0.00 175.29 172.12 1wbq s PRO 21 N -3.39 2.72 -0.90 2.91 0.04 -1.26 -3.57 135.00 131.55 1wbq s PRO 21 Ca 0.76 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 63.57 1wbq s PRO 21 Cb -0.29 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1wbq s PRO 21 CO 0.33 -1.39 0.75 0.41 0.04 0.00 0.00 177.00 177.14 1wbq n GLY 22 N 0.39 -0.16 3.16 0.56 0.00 0.59 -4.80 105.19 104.92 1wbq n GLY 22 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1wbq n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wbq s SER 23 N -4.01 0.31 -0.01 1.61 1.04 -0.41 -0.73 113.70 111.50 1wbq s SER 23 Ca 0.00 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.49 1wbq s SER 23 Cb -0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1wbq s SER 23 CO 0.55 -0.69 -0.04 0.00 0.98 0.00 0.00 173.24 174.03 1wbq s ALA 24 N -3.94 0.43 -0.14 5.32 0.00 -0.80 -0.58 121.76 122.04 1wbq s ALA 24 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 1wbq s ALA 24 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1wbq s ALA 24 CO -0.06 0.07 0.00 0.00 0.00 0.00 0.00 175.76 175.77 1wbq s ALA 25 N 0.11 3.20 -0.20 0.00 0.00 0.55 -0.14 121.76 125.28 1wbq s ALA 25 Ca -0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 1wbq s ALA 25 Cb -0.04 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.45 1wbq s ALA 25 CO -0.00 0.32 -0.12 -0.51 0.00 0.00 0.00 175.76 175.45 1wbq s LEU 26 N -0.03 2.52 -0.17 0.00 1.43 -0.31 -1.20 118.68 120.92 1wbq s LEU 26 Ca 0.03 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1wbq s LEU 26 Cb -0.13 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.52 1wbq s LEU 26 CO 0.02 -0.01 -0.10 -0.63 0.23 0.00 0.00 176.35 175.86 1wbq s ILE 27 N 1.37 1.45 -0.09 -0.59 1.01 -0.26 -4.51 121.20 119.58 1wbq s ILE 27 Ca 0.05 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1wbq s ILE 27 Cb -0.14 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1wbq s ILE 27 CO -0.08 0.26 0.11 -0.36 0.00 0.00 0.00 174.94 174.87 1wbq s PHE 28 N 1.50 3.49 0.73 3.97 0.40 -1.26 -0.38 117.98 126.43 1wbq s PHE 28 Ca 0.01 0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.65 1wbq s PHE 28 Cb -0.15 -1.88 0.04 0.00 0.51 0.00 0.00 43.02 41.54 1wbq s PHE 28 CO -0.09 0.66 1.09 0.00 0.70 0.00 0.00 175.22 177.59 1wbq s ALA 29 N -1.05 2.36 0.46 5.36 0.00 -0.09 -4.65 121.76 124.16 1wbq s ALA 29 Ca 0.17 0.31 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 1wbq s ALA 29 Cb -0.12 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 1wbq s ALA 29 CO 0.06 -1.57 1.19 0.00 0.00 0.00 0.00 175.76 175.44 1wbq s ALA 30 N -2.78 2.98 0.64 0.00 0.00 -1.26 -4.81 121.76 116.54 1wbq s ALA 30 Ca 0.62 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 53.43 1wbq s ALA 30 Cb -0.17 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1wbq s ALA 30 CO 0.52 -0.73 1.07 -1.25 0.00 0.00 0.00 175.76 175.37 1wbq s PRO 31 N -2.68 3.03 0.68 0.00 0.04 -1.26 -4.40 135.00 130.43 1wbq s PRO 31 Ca 0.64 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 1wbq s PRO 31 Cb -0.30 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1wbq s PRO 31 CO 0.37 -1.04 1.16 -1.21 0.04 0.00 0.00 177.00 176.32 1wbq s GLU 32 N -4.35 2.53 -0.10 4.56 2.02 -1.26 -4.91 118.70 117.18 1wbq s GLU 32 Ca 0.63 1.58 -0.00 0.00 0.02 0.00 0.00 54.97 57.19 1wbq s GLU 32 Cb -0.17 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.19 1wbq s GLU 32 CO 0.43 -1.50 -0.06 0.08 0.02 0.00 0.00 175.26 174.23 1wbq s VAL 33 N -2.13 0.87 0.25 2.63 1.01 -1.26 -5.09 120.40 116.67 1wbq s VAL 33 Ca 0.71 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 1wbq s VAL 33 Cb -0.25 -0.91 -0.10 0.00 0.00 0.00 0.00 36.38 35.13 1wbq s VAL 33 CO 0.42 0.34 1.35 -0.89 0.00 0.00 0.00 175.10 176.32 1wbq s THR 34 N 1.67 2.90 -0.23 3.92 2.01 -1.26 -1.26 115.64 123.40 1wbq s THR 34 Ca 0.03 0.79 -0.16 0.00 0.31 0.00 0.00 61.69 62.66 1wbq s THR 34 Cb -0.13 -3.50 -0.11 0.00 0.01 0.00 0.00 72.50 68.77 1wbq s THR 34 CO -0.06 0.14 -0.26 -1.14 -0.69 0.00 0.00 174.62 172.61 1wbq n ARG 35 N 2.02 0.56 -3.65 4.92 0.63 -0.16 -4.66 116.66 116.32 1wbq n ARG 35 Ca 0.05 0.32 -0.06 0.00 -0.92 0.00 0.00 57.85 57.23 1wbq n ARG 35 Cb 0.42 -1.53 -0.07 0.00 0.45 0.00 0.00 32.46 31.73 1wbq n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wbq s SER 36 N -6.82 -0.92 1.26 6.15 0.15 -1.09 -5.03 113.70 107.41 1wbq s SER 36 Ca -0.33 1.44 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1wbq s SER 36 Cb 0.10 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 1wbq s SER 36 CO 0.47 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.67 1wbq n ALA 37 N 4.59 0.00 1.35 5.45 0.00 -1.26 -1.41 120.51 129.24 1wbq n ALA 37 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1wbq n ALA 37 Cb 0.56 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.44 1wbq n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wbq n ASP 38 N 7.12 1.33 -4.83 0.00 5.75 -1.26 -4.89 116.55 119.77 1wbq n ASP 38 Ca 0.00 -1.22 -0.37 0.00 -0.01 0.00 0.00 54.79 53.19 1wbq n ASP 38 Cb 0.00 0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.11 1wbq n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1wbq s SER 39 N -2.25 6.95 0.16 -1.12 1.04 -0.50 -5.02 113.70 112.97 1wbq s SER 39 Ca 0.31 1.18 0.10 0.00 0.48 0.00 0.00 55.95 58.02 1wbq s SER 39 Cb 0.20 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.95 1wbq s SER 39 CO 0.43 0.19 -0.17 -1.61 0.98 0.00 0.00 173.24 173.05 1wbq s GLU 40 N -1.53 1.79 0.74 4.02 2.02 -1.26 -0.99 118.70 123.49 1wbq s GLU 40 Ca 0.33 -1.32 -0.13 0.00 0.02 0.00 0.00 54.97 53.87 1wbq s GLU 40 Cb -0.17 -2.05 0.05 0.00 0.10 0.00 0.00 34.13 32.06 1wbq s GLU 40 CO 0.19 0.44 1.14 0.71 0.02 0.00 0.00 175.26 177.76 1wbq s TYR 41 N -1.49 2.28 0.19 1.61 2.02 -0.39 -4.71 117.35 116.86 1wbq s TYR 41 Ca 0.21 1.61 -0.33 0.00 -0.37 0.00 0.00 57.07 58.19 1wbq s TYR 41 Cb -0.09 -3.27 -0.14 0.00 -0.40 0.00 0.00 41.96 38.06 1wbq s TYR 41 CO 0.12 -2.18 1.45 -2.30 -1.57 0.00 0.00 175.55 171.07 1wbq n PRO 42 N -3.00 1.95 -1.97 -1.71 -0.02 -1.26 -4.74 135.00 124.25 1wbq n PRO 42 Ca 0.11 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 1wbq n PRO 42 Cb 0.52 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1wbq n PRO 42 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wbq s TYR 43 N 0.35 2.93 -0.21 6.00 5.04 -1.26 -5.00 117.35 125.21 1wbq s TYR 43 Ca 0.74 1.06 0.01 0.00 -2.44 0.00 0.00 57.07 56.44 1wbq s TYR 43 Cb -0.70 -3.86 0.05 0.00 0.35 0.00 0.00 41.96 37.80 1wbq s TYR 43 CO 0.45 -2.73 -0.07 0.50 -1.34 0.00 0.00 175.55 172.36 1wbq s ARG 44 N -0.80 1.72 0.51 4.97 6.06 -1.26 -5.12 118.95 125.03 1wbq s ARG 44 Ca 0.58 -0.86 -0.22 0.00 -2.50 0.00 0.00 55.73 52.73 1wbq s ARG 44 Cb -0.43 -2.43 -0.06 0.00 0.06 0.00 0.00 34.95 32.09 1wbq s ARG 44 CO 0.48 -0.51 1.28 -1.14 -2.50 0.00 0.00 175.30 172.90 1wbq s GLN 45 N 1.44 3.41 0.23 5.12 2.00 -1.26 -4.77 119.66 125.83 1wbq s GLN 45 Ca -0.03 2.04 -0.32 0.00 -2.00 0.00 0.00 55.36 55.05 1wbq s GLN 45 Cb -0.17 -2.33 -0.13 0.00 0.80 0.00 0.00 33.01 31.18 1wbq s GLN 45 CO -0.07 -0.91 1.48 -1.71 -0.50 0.00 0.00 175.29 173.58 1wbq n ASN 46 N -0.79 3.04 -0.27 6.67 2.85 -1.26 -4.88 115.26 120.62 1wbq n ASN 46 Ca 0.09 1.13 -0.06 0.00 -0.11 0.00 0.00 54.58 55.63 1wbq n ASN 46 Cb 0.46 -1.46 0.06 0.00 1.24 0.00 0.00 39.78 40.08 1wbq n ASN 46 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1wbq h SER 47 N 4.76 1.01 -0.30 1.20 0.02 -1.93 0.63 113.55 118.94 1wbq h SER 47 Ca -0.45 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.25 1wbq h SER 47 Cb 1.26 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1wbq h SER 47 CO 0.80 0.90 -0.15 0.44 -1.14 0.00 0.00 176.83 177.68 1wbq h ASP 48 N 1.06 0.65 -0.51 3.07 3.32 -1.95 0.44 116.42 122.50 1wbq h ASP 48 Ca 0.25 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1wbq h ASP 48 Cb 0.19 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1wbq h ASP 48 CO -0.02 0.92 0.27 0.15 -1.72 0.00 0.00 179.24 178.83 1wbq h PHE 49 N 0.38 0.70 -0.62 4.55 3.57 -1.77 -2.75 116.94 121.01 1wbq h PHE 49 Ca 0.07 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1wbq h PHE 49 Cb 0.67 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1wbq h PHE 49 CO 0.06 0.53 0.37 2.35 -2.23 0.00 0.00 178.31 179.39 1wbq h TRP 50 N 0.67 0.69 -0.93 0.41 2.91 -0.74 -2.54 115.95 116.42 1wbq h TRP 50 Ca 0.18 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.38 1wbq h TRP 50 Cb 0.06 -0.22 -0.08 0.00 -0.51 0.00 0.00 29.16 28.41 1wbq h TRP 50 CO -0.01 0.38 0.60 -0.92 -1.03 0.00 0.00 178.44 177.45 1wbq h TYR 51 N 0.72 0.85 -0.00 2.65 3.20 -0.61 0.23 116.97 124.01 1wbq h TYR 51 Ca 0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1wbq h TYR 51 Cb 0.06 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1wbq h TYR 51 CO -0.06 0.27 -0.67 1.19 -1.64 0.00 0.00 178.16 177.25 1wbq n PHE 52 N -4.60 0.00 0.00 -3.82 3.72 -1.06 -4.70 117.46 106.99 1wbq n PHE 52 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1wbq n PHE 52 Cb 0.53 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1wbq n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wbq n THR 53 N -1.34 0.00 -1.75 4.37 -2.24 -0.81 -4.80 114.28 107.70 1wbq n THR 53 Ca 0.06 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.66 1wbq n THR 53 Cb 0.34 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 1wbq n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbq n GLY 54 N 2.09 1.13 3.55 3.38 0.00 0.75 -4.98 105.19 111.11 1wbq n GLY 54 Ca 0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1wbq n GLY 54 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wbq s PHE 55 N -2.72 3.19 -0.48 1.61 5.36 -1.26 -5.01 117.98 118.65 1wbq s PHE 55 Ca 0.00 -0.09 0.03 0.00 -0.96 0.00 0.00 56.93 55.91 1wbq s PHE 55 Cb 0.00 -2.23 0.53 0.00 -0.34 0.00 0.00 43.02 40.98 1wbq s PHE 55 CO 0.00 -0.13 1.79 -1.71 -1.46 0.00 0.00 175.22 173.72 1wbq n ASN 56 N 4.52 5.14 -4.63 6.13 5.15 -1.26 -4.78 115.26 125.54 1wbq n ASN 56 Ca -0.16 -3.73 -0.30 0.00 -0.60 0.00 0.00 54.58 49.79 1wbq n ASN 56 Cb 0.52 -0.80 -0.09 0.00 -0.53 0.00 0.00 39.78 38.88 1wbq n ASN 56 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wbq s GLU 57 N -3.53 2.36 0.94 1.20 2.02 -1.26 -4.93 118.70 115.50 1wbq s GLU 57 Ca 0.57 -0.90 -0.15 0.00 0.02 0.00 0.00 54.97 54.51 1wbq s GLU 57 Cb 0.47 -2.43 0.19 0.00 0.10 0.00 0.00 34.13 32.46 1wbq s GLU 57 CO 0.03 0.53 1.29 -1.25 0.02 0.00 0.00 175.26 175.89 1wbq s PRO 58 N -2.14 0.77 -1.25 0.39 0.04 -1.26 -4.49 135.00 127.05 1wbq s PRO 58 Ca 0.23 -0.45 -0.06 0.00 0.04 0.00 0.00 61.00 60.75 1wbq s PRO 58 Cb -0.11 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1wbq s PRO 58 CO 0.15 -2.31 0.70 0.39 0.04 0.00 0.00 177.00 175.97 1wbq n GLU 59 N -3.68 -3.50 -3.97 4.56 1.02 -1.26 -4.70 120.64 109.12 1wbq n GLU 59 Ca 0.15 0.57 -0.09 0.00 -0.02 0.00 0.00 57.16 57.77 1wbq n GLU 59 Cb 0.60 -4.88 -0.11 0.00 -0.02 0.00 0.00 31.44 27.02 1wbq n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wbq s ALA 60 N -3.63 0.12 -0.06 0.62 0.00 -1.26 -3.51 121.76 114.04 1wbq s ALA 60 Ca 0.16 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1wbq s ALA 60 Cb -0.05 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.24 1wbq s ALA 60 CO 0.83 -0.14 0.11 0.08 0.00 0.00 0.00 175.76 176.64 1wbq s VAL 61 N -1.28 -0.11 -0.20 0.00 1.01 -0.00 -0.91 120.40 118.91 1wbq s VAL 61 Ca -0.14 0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 1wbq s VAL 61 Cb -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1wbq s VAL 61 CO -0.01 0.11 0.36 -0.22 0.00 0.00 0.00 175.10 175.34 1wbq s LEU 62 N 1.55 4.16 -0.24 3.92 2.96 0.48 -0.80 118.68 130.72 1wbq s LEU 62 Ca -0.04 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1wbq s LEU 62 Cb -0.12 -2.45 0.04 0.00 0.50 0.00 0.00 46.19 44.16 1wbq s LEU 62 CO -0.05 -0.04 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.15 1wbq s VAL 63 N 1.18 2.49 -0.27 1.68 1.01 0.93 -1.10 120.40 126.32 1wbq s VAL 63 Ca 0.17 -1.20 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1wbq s VAL 63 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1wbq s VAL 63 CO 0.07 0.20 0.13 -0.76 0.00 0.00 0.00 175.10 174.73 1wbq s LEU 64 N 1.25 3.75 -0.21 3.92 1.43 -0.34 -0.30 118.68 128.18 1wbq s LEU 64 Ca -0.02 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1wbq s LEU 64 Cb -0.17 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1wbq s LEU 64 CO -0.06 -0.06 -0.02 -0.63 0.23 0.00 0.00 176.35 175.81 1wbq s ILE 65 N 1.67 3.73 -0.39 -0.59 1.01 0.44 -0.33 121.20 126.74 1wbq s ILE 65 Ca 0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1wbq s ILE 65 Cb -0.16 -2.69 0.08 0.00 0.01 0.00 0.00 42.46 39.70 1wbq s ILE 65 CO 0.07 0.42 0.19 -0.75 0.00 0.00 0.00 174.94 174.87 1wbq s LYS 66 N 1.18 2.45 -0.01 2.79 2.20 0.25 -0.86 119.74 127.75 1wbq s LYS 66 Ca 0.03 -1.47 -0.23 0.00 -0.36 0.00 0.00 55.97 53.93 1wbq s LYS 66 Cb -0.15 -3.61 -0.19 0.00 -1.51 0.00 0.00 37.83 32.37 1wbq s LYS 66 CO 0.00 -0.89 1.21 0.77 -0.36 0.00 0.00 175.35 176.08 1wbq h SER 67 N 8.25 0.22 -1.02 1.43 0.02 -1.55 0.21 113.55 121.10 1wbq h SER 67 Ca -0.21 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 1wbq h SER 67 Cb 1.07 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1wbq h SER 67 CO 0.69 0.77 0.00 -0.90 -1.14 0.00 0.00 176.83 176.25 1wbq n ASP 68 N -4.62 0.00 0.30 3.07 5.68 -1.07 -1.95 116.55 117.97 1wbq n ASP 68 Ca -0.08 -0.85 0.19 0.00 -0.50 0.00 0.00 54.79 53.55 1wbq n ASP 68 Cb 0.38 0.00 0.89 0.00 -1.14 0.00 0.00 41.12 41.25 1wbq n ASP 68 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1wbq h ASP 69 N 0.00 0.00 0.00 -1.12 3.58 -1.97 -3.17 116.42 113.74 1wbq h ASP 69 Ca 0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 1wbq h ASP 69 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1wbq h ASP 69 CO 0.00 0.01 -1.75 0.35 -2.88 0.00 0.00 179.24 174.98 1wbq n THR 70 N -3.14 0.75 -3.75 2.25 -2.24 -1.26 -5.00 114.28 101.90 1wbq n THR 70 Ca -0.01 -0.44 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 1wbq n THR 70 Cb 0.22 -0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 67.59 1wbq n THR 70 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1wbq s HIS 71 N -2.26 3.20 0.07 4.78 3.76 -1.20 -5.07 115.29 118.56 1wbq s HIS 71 Ca -0.07 -0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 54.68 1wbq s HIS 71 Cb 0.03 -2.25 0.01 0.00 1.11 0.00 0.00 32.58 31.48 1wbq s HIS 71 CO 0.43 -0.12 0.25 0.54 -0.85 0.00 0.00 174.74 174.99 1wbq s ASN 72 N 1.29 -0.00 0.27 1.40 2.20 -1.26 -1.58 114.94 117.27 1wbq s ASN 72 Ca 0.06 -0.44 -0.15 0.00 -0.94 0.00 0.00 52.86 51.39 1wbq s ASN 72 Cb -0.15 0.35 0.01 0.00 -2.00 0.00 0.00 41.25 39.47 1wbq s ASN 72 CO 0.05 -0.69 0.57 -1.38 -2.94 0.00 0.00 177.10 172.72 1wbq s HIS 73 N -3.29 0.23 -0.00 1.54 -3.43 -0.04 -5.00 115.29 105.29 1wbq s HIS 73 Ca 0.00 -0.63 0.06 0.00 -0.80 0.00 0.00 55.06 53.69 1wbq s HIS 73 Cb 0.02 0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 31.53 1wbq s HIS 73 CO -0.08 -1.12 -0.19 -1.54 -2.00 0.00 0.00 174.74 169.82 1wbq s SER 74 N -3.01 2.21 -0.08 7.38 1.04 -1.26 -0.42 113.70 119.56 1wbq s SER 74 Ca 0.19 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.28 1wbq s SER 74 Cb -0.03 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1wbq s SER 74 CO 0.09 0.21 -0.15 -0.69 0.98 0.00 0.00 173.24 173.69 1wbq s VAL 75 N -0.51 1.34 -0.17 5.02 1.01 0.59 -2.52 120.40 125.16 1wbq s VAL 75 Ca 0.07 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1wbq s VAL 75 Cb -0.07 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1wbq s VAL 75 CO -0.00 0.40 0.01 -0.22 0.00 0.00 0.00 175.10 175.29 1wbq s LEU 76 N 0.67 3.49 -0.20 3.92 2.96 0.19 -0.05 118.68 129.65 1wbq s LEU 76 Ca -0.14 -0.04 -0.13 0.00 -0.22 0.00 0.00 54.13 53.60 1wbq s LEU 76 Cb -0.16 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1wbq s LEU 76 CO 0.04 0.17 0.27 -0.36 -1.32 0.00 0.00 176.35 175.14 1wbq s PHE 77 N 0.39 3.38 0.23 5.38 0.08 0.02 0.29 117.98 127.75 1wbq s PHE 77 Ca -0.01 0.45 -0.15 0.00 0.12 0.00 0.00 56.93 57.35 1wbq s PHE 77 Cb -0.13 -2.36 0.01 0.00 -0.57 0.00 0.00 43.02 39.96 1wbq s PHE 77 CO 0.02 0.10 0.50 0.54 -0.10 0.00 0.00 175.22 176.28 1wbq s ASN 78 N 0.84 -0.14 0.27 1.36 4.22 -0.39 -0.82 114.94 120.28 1wbq s ASN 78 Ca 0.13 -0.77 -0.30 0.00 -2.14 0.00 0.00 52.86 49.79 1wbq s ASN 78 Cb -0.13 0.59 -0.10 0.00 1.28 0.00 0.00 41.25 42.88 1wbq s ASN 78 CO 0.05 -1.12 1.33 -0.13 -2.04 0.00 0.00 177.10 175.19 1wbq s ARG 79 N -3.96 4.36 0.66 3.55 0.52 -1.23 -0.64 118.95 122.20 1wbq s ARG 79 Ca 0.17 2.17 -0.16 0.00 -0.52 0.00 0.00 55.73 57.40 1wbq s ARG 79 Cb -0.01 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.34 1wbq s ARG 79 CO 0.05 -0.25 1.14 0.54 0.02 0.00 0.00 175.30 176.80 1wbq s VAL 80 N -0.44 2.97 0.09 3.52 0.11 -1.26 -3.62 120.40 121.77 1wbq s VAL 80 Ca 0.54 0.48 -0.31 0.00 -2.93 0.00 0.00 61.98 59.76 1wbq s VAL 80 Cb -0.39 -3.02 -0.07 0.00 -1.53 0.00 0.00 36.38 31.36 1wbq s VAL 80 CO 0.45 -0.25 1.37 -0.13 -3.33 0.00 0.00 175.10 173.21 1wbq s ARG 81 N -3.93 4.33 -0.05 1.54 0.52 -1.26 -4.80 118.95 115.29 1wbq s ARG 81 Ca 0.70 2.02 -0.02 0.00 -0.52 0.00 0.00 55.73 57.91 1wbq s ARG 81 Cb -0.23 -3.32 0.03 0.00 0.52 0.00 0.00 34.95 31.95 1wbq s ARG 81 CO 0.41 -0.44 0.05 0.34 0.02 0.00 0.00 175.30 175.68 1wbq s ASP 82 N 1.24 1.25 0.10 0.23 -1.08 -1.26 -5.06 116.67 112.08 1wbq s ASP 82 Ca 0.64 0.03 -0.33 0.00 -0.52 0.00 0.00 52.55 52.37 1wbq s ASP 82 Cb -0.35 -0.20 -0.14 0.00 -1.46 0.00 0.00 42.92 40.77 1wbq s ASP 82 CO 0.30 -0.24 1.58 0.25 0.52 0.00 0.00 175.17 177.58 1wbq h LEU 83 N 8.42 -1.22 0.53 -1.34 5.85 -2.00 -2.04 115.31 123.51 1wbq h LEU 83 Ca -0.13 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1wbq h LEU 83 Cb 1.12 0.42 0.01 0.00 0.37 0.00 0.00 40.66 42.57 1wbq h LEU 83 CO 0.17 -0.57 -0.25 0.74 -0.34 0.00 0.00 178.44 178.19 1wbq h THR 84 N -0.84 0.46 -0.17 1.05 2.02 -2.00 -2.19 112.91 111.24 1wbq h THR 84 Ca -0.03 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.04 1wbq h THR 84 Cb 0.76 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1wbq h THR 84 CO -0.11 0.03 0.19 0.00 0.37 0.00 0.00 175.52 176.00 1wbq h ALA 85 N -0.39 1.80 0.12 6.16 0.00 -1.97 -2.29 119.26 122.70 1wbq h ALA 85 Ca -0.07 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.48 1wbq h ALA 85 Cb 0.59 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wbq h ALA 85 CO 0.12 -0.28 -1.92 0.93 0.00 0.00 0.00 179.25 178.10 1wbq h GLU 86 N 0.00 0.25 -0.86 0.00 5.08 -1.29 0.18 114.58 117.93 1wbq h GLU 86 Ca 0.08 -0.44 0.23 0.00 -1.00 0.00 0.00 59.36 58.23 1wbq h GLU 86 Cb 0.46 0.16 -0.14 0.00 0.50 0.00 0.00 28.75 29.74 1wbq h GLU 86 CO -0.00 1.21 0.24 0.82 -1.00 0.00 0.00 179.01 180.28 1wbq h ILE 87 N -0.02 0.35 0.00 3.13 2.04 -1.02 0.30 117.51 122.29 1wbq h ILE 87 Ca -0.41 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1wbq h ILE 87 Cb 1.98 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1wbq h ILE 87 CO 0.07 0.04 0.00 0.79 0.00 0.00 0.00 178.15 179.05 1wbq n TRP 88 N -5.21 0.00 -0.18 1.37 7.02 -0.89 -4.59 117.44 114.96 1wbq n TRP 88 Ca 0.21 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.57 1wbq n TRP 88 Cb 0.66 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.61 1wbq n TRP 88 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1wbq n PHE 89 N -0.46 1.35 0.00 -5.99 3.72 0.62 -4.97 117.46 111.72 1wbq n PHE 89 Ca 0.00 -1.28 0.00 0.00 -0.05 0.00 0.00 57.45 56.12 1wbq n PHE 89 Cb 0.00 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 1wbq n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wbq n GLY 90 N -0.05 -2.44 3.75 1.37 0.00 0.09 -4.87 105.19 103.03 1wbq n GLY 90 Ca 0.26 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 1wbq n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wbq s ARG 91 N -3.25 3.01 0.01 1.61 0.52 -1.26 -4.37 118.95 115.22 1wbq s ARG 91 Ca 0.00 1.99 0.07 0.00 -0.52 0.00 0.00 55.73 57.27 1wbq s ARG 91 Cb 0.00 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 1wbq s ARG 91 CO 0.00 -1.22 -0.21 1.03 0.02 0.00 0.00 175.30 174.93 1wbq s ARG 92 N -3.15 1.54 0.11 3.54 0.52 -1.26 -5.05 118.95 115.20 1wbq s ARG 92 Ca 0.75 -0.84 -0.24 0.00 -0.52 0.00 0.00 55.73 54.88 1wbq s ARG 92 Cb -0.35 -1.57 -0.07 0.00 0.52 0.00 0.00 34.95 33.48 1wbq s ARG 92 CO 0.39 0.42 1.68 1.25 0.02 0.00 0.00 175.30 179.05 1wbq h LEU 93 N 5.24 -0.43 0.00 2.53 5.85 -1.94 -3.46 115.31 123.10 1wbq h LEU 93 Ca -0.41 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.40 1wbq h LEU 93 Cb 1.15 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1wbq h LEU 93 CO 0.46 -0.21 -0.03 0.61 -0.34 0.00 0.00 178.44 178.93 1wbq n GLY 94 N -1.28 -2.15 0.09 3.75 0.00 -1.24 -4.37 105.19 99.99 1wbq n GLY 94 Ca -0.05 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 1wbq n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wbq h GLN 95 N 0.00 0.12 -0.16 1.61 7.50 -1.91 -3.23 115.11 119.05 1wbq h GLN 95 Ca 0.00 -0.21 -0.07 0.00 0.50 0.00 0.00 58.65 58.87 1wbq h GLN 95 Cb 0.08 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.69 1wbq h GLN 95 CO 0.00 0.95 -0.17 -0.44 -1.50 0.00 0.00 178.83 177.67 1wbq h ASP 96 N 0.03 0.43 1.89 1.46 3.32 -1.93 -3.26 116.42 118.37 1wbq h ASP 96 Ca -0.18 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.38 1wbq h ASP 96 Cb 1.94 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.37 1wbq h ASP 96 CO 0.14 0.83 -0.07 0.00 -1.72 0.00 0.00 179.24 178.41 1wbq h ALA 97 N 0.61 0.96 -0.25 3.45 0.00 -1.76 -3.40 119.26 118.87 1wbq h ALA 97 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wbq h ALA 97 Cb 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wbq h ALA 97 CO 0.04 0.00 0.06 0.00 0.00 0.00 0.00 179.25 179.35 1wbq h ALA 98 N 2.04 0.33 -0.58 0.00 0.00 -1.59 -1.52 119.26 117.95 1wbq h ALA 98 Ca 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1wbq h ALA 98 Cb 0.98 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 1wbq h ALA 98 CO 0.00 -0.00 -0.17 -1.35 0.00 0.00 0.00 179.25 177.72 1wbq h PRO 99 N 0.23 -0.03 -0.10 0.00 0.11 -1.75 0.16 132.00 130.61 1wbq h PRO 99 Ca 0.08 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1wbq h PRO 99 Cb 0.29 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1wbq h PRO 99 CO 0.00 -0.02 -0.31 1.49 -0.21 0.00 0.00 178.00 178.95 1wbq h GLU 100 N -0.03 0.39 0.04 1.05 4.22 -1.79 0.68 114.58 119.13 1wbq h GLU 100 Ca 0.27 -0.28 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1wbq h GLU 100 Cb 0.45 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1wbq h GLU 100 CO -0.61 0.90 -0.02 -0.22 -2.18 0.00 0.00 179.01 176.88 1wbq h LYS 101 N -0.05 -0.05 -0.14 1.92 1.63 -0.97 -3.26 116.57 115.64 1wbq h LYS 101 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1wbq h LYS 101 Cb 0.93 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1wbq h LYS 101 CO 0.07 0.10 0.00 1.28 -3.45 0.00 0.00 179.45 177.44 1wbq n LEU 102 N -5.05 3.00 -2.90 5.20 4.77 0.52 -4.99 117.00 117.56 1wbq n LEU 102 Ca -0.08 -1.18 -0.18 0.00 -0.03 0.00 0.00 56.01 54.55 1wbq n LEU 102 Cb 0.11 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1wbq n LEU 102 CO 0.33 0.56 0.18 0.61 -1.33 0.00 0.00 177.39 177.74 1wbq n GLY 103 N 1.28 -0.20 3.63 -0.72 0.00 0.16 -4.99 105.19 104.34 1wbq n GLY 103 Ca 0.15 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1wbq n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wbq s VAL 104 N -3.25 3.69 0.16 1.61 -7.23 -0.79 -5.01 120.40 109.57 1wbq s VAL 104 Ca 0.39 -1.10 0.15 0.00 -1.81 0.00 0.00 61.98 59.61 1wbq s VAL 104 Cb -0.17 -2.73 0.05 0.00 0.56 0.00 0.00 36.38 34.09 1wbq s VAL 104 CO 0.56 0.14 1.63 0.44 -0.31 0.00 0.00 175.10 177.56 1wbq h ASP 105 N 3.61 0.00 -3.83 4.85 3.32 -1.81 -3.38 116.42 119.18 1wbq h ASP 105 Ca -0.48 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 1wbq h ASP 105 Cb 1.17 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.48 1wbq h ASP 105 CO 0.56 0.51 -0.20 -0.60 -1.72 0.00 0.00 179.24 177.79 1wbq s ARG 106 N -3.46 0.51 -0.05 3.56 3.52 -1.05 -4.98 118.95 117.00 1wbq s ARG 106 Ca 0.00 0.65 0.03 0.00 -0.13 0.00 0.00 55.73 56.28 1wbq s ARG 106 Cb 0.11 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 1wbq s ARG 106 CO 0.73 -0.07 -0.14 0.00 -0.81 0.00 0.00 175.30 175.01 1wbq s ALA 107 N 0.36 1.32 0.16 6.12 0.00 -1.26 -0.64 121.76 127.82 1wbq s ALA 107 Ca -0.01 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.51 1wbq s ALA 107 Cb -0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1wbq s ALA 107 CO -0.01 0.18 -0.16 -0.51 0.00 0.00 0.00 175.76 175.26 1wbq s LEU 108 N 0.38 2.46 0.25 0.00 1.43 0.15 -4.91 118.68 118.43 1wbq s LEU 108 Ca -0.09 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.82 1wbq s LEU 108 Cb -0.13 -0.69 -0.09 0.00 0.03 0.00 0.00 46.19 45.30 1wbq s LEU 108 CO 0.03 -0.11 1.29 0.00 0.23 0.00 0.00 176.35 177.79 1wbq s ALA 109 N -2.33 3.51 0.41 4.21 0.00 -1.26 -1.26 121.76 125.04 1wbq s ALA 109 Ca 0.15 1.13 0.08 0.00 0.00 0.00 0.00 51.96 53.33 1wbq s ALA 109 Cb -0.04 -3.46 0.86 0.00 0.00 0.00 0.00 23.12 20.47 1wbq s ALA 109 CO 0.05 -0.52 2.01 0.35 0.00 0.00 0.00 175.76 177.65 1wbq h PHE 110 N 4.63 0.40 -0.03 0.00 3.57 -1.18 -1.36 116.94 122.97 1wbq h PHE 110 Ca -0.46 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.04 1wbq h PHE 110 Cb 1.22 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 1wbq h PHE 110 CO 0.60 0.32 0.12 0.66 -2.23 0.00 0.00 178.31 177.78 1wbq h SER 111 N 0.41 0.00 -0.48 0.41 4.64 -1.91 -1.84 113.55 114.78 1wbq h SER 111 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1wbq h SER 111 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1wbq h SER 111 CO -0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.33 1wbq n GLU 112 N -3.20 2.49 -0.23 4.77 -0.58 -0.51 -4.67 120.64 118.71 1wbq n GLU 112 Ca -0.02 -2.27 -0.02 0.00 -0.42 0.00 0.00 57.16 54.43 1wbq n GLU 112 Cb 0.20 -1.51 0.17 0.00 -0.57 0.00 0.00 31.44 29.72 1wbq n GLU 112 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1wbq h ILE 113 N 4.16 1.23 0.00 -3.67 2.10 -1.40 -1.36 117.51 118.56 1wbq h ILE 113 Ca 0.00 -0.60 -0.05 0.00 1.08 0.00 0.00 64.86 65.29 1wbq h ILE 113 Cb 0.93 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 1wbq h ILE 113 CO 0.00 0.26 -0.24 0.78 -1.08 0.00 0.00 178.15 177.87 1wbq h ASN 114 N 1.05 0.00 1.18 2.19 2.35 -1.83 0.28 115.58 120.80 1wbq h ASN 114 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1wbq h ASN 114 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1wbq h ASN 114 CO -0.04 0.24 -0.44 1.56 -1.65 0.00 0.00 177.43 177.10 1wbq h GLN 115 N 0.00 0.00 0.00 0.81 7.50 -1.65 -3.41 115.11 118.36 1wbq h GLN 115 Ca -0.00 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 1wbq h GLN 115 Cb 0.77 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.29 1wbq h GLN 115 CO 0.03 0.00 -1.25 1.04 -1.50 0.00 0.00 178.83 177.15 1wbq n GLN 116 N -2.35 1.61 -0.19 1.46 1.13 -0.60 -4.73 117.38 113.71 1wbq n GLN 116 Ca 0.03 0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 55.04 1wbq n GLN 116 Cb 0.46 -1.09 0.03 0.00 0.11 0.00 0.00 30.24 29.75 1wbq n GLN 116 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1wbq h LEU 117 N 0.00 0.65 -1.66 1.08 5.85 -0.68 -1.87 115.31 118.67 1wbq h LEU 117 Ca -0.10 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1wbq h LEU 117 Cb 1.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1wbq h LEU 117 CO -0.01 0.48 0.27 0.10 -0.34 0.00 0.00 178.44 178.94 1wbq h TYR 118 N 0.75 0.42 -0.41 1.25 -0.00 -1.82 -1.32 116.97 115.85 1wbq h TYR 118 Ca 0.20 0.01 -0.10 0.00 -0.00 0.00 0.00 58.73 58.84 1wbq h TYR 118 Cb -0.06 -0.14 -0.02 0.00 -0.00 0.00 0.00 36.73 36.51 1wbq h TYR 118 CO -0.03 0.25 -0.16 1.96 -0.00 0.00 0.00 178.16 180.18 1wbq h GLN 119 N 0.45 0.77 -0.11 0.10 4.20 -1.64 0.25 115.11 119.13 1wbq h GLN 119 Ca 0.16 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 1wbq h GLN 119 Cb 0.09 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1wbq h GLN 119 CO -0.04 0.88 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.52 1wbq h LEU 120 N 0.68 0.26 0.00 1.46 3.38 -0.93 -3.23 115.31 116.93 1wbq h LEU 120 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wbq h LEU 120 Cb 0.65 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1wbq h LEU 120 CO 0.05 0.65 -0.78 -0.07 0.09 0.00 0.00 178.44 178.38 1wbq h LEU 121 N 0.21 0.00 -9.27 1.67 3.38 -0.97 -3.46 115.31 106.86 1wbq h LEU 121 Ca 0.02 -0.07 -0.67 0.00 0.09 0.00 0.00 57.88 57.25 1wbq h LEU 121 Cb 0.83 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.61 1wbq h LEU 121 CO 0.06 0.03 0.78 -3.20 0.09 0.00 0.00 178.44 176.21 1wbq n ASN 122 N -2.54 2.47 0.00 -0.43 5.15 0.05 -1.84 115.26 118.11 1wbq n ASN 122 Ca 0.01 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1wbq n ASN 122 Cb 0.51 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 1wbq n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wbq n GLY 123 N 3.59 1.58 3.85 8.20 0.00 -0.72 -4.95 105.19 116.73 1wbq n GLY 123 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1wbq n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wbq s LEU 124 N 0.00 3.31 -0.08 0.99 1.43 -0.77 -4.97 118.68 118.59 1wbq s LEU 124 Ca 0.00 1.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.67 1wbq s LEU 124 Cb 0.00 -4.49 -0.24 0.00 0.03 0.00 0.00 46.19 41.49 1wbq s LEU 124 CO 0.00 -0.96 0.52 0.47 0.23 0.00 0.00 176.35 176.61 1wbq n ASP 125 N -2.55 1.36 -3.96 2.29 8.00 0.09 -3.12 116.55 118.65 1wbq n ASP 125 Ca 0.07 0.32 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 1wbq n ASP 125 Cb 0.54 -0.36 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 1wbq n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wbq s VAL 126 N -2.58 0.52 -0.10 2.53 1.01 -1.08 -3.05 120.40 117.66 1wbq s VAL 126 Ca -0.12 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1wbq s VAL 126 Cb 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1wbq s VAL 126 CO 0.80 0.16 -0.23 0.54 0.00 0.00 0.00 175.10 176.38 1wbq s VAL 127 N 0.07 1.96 -0.24 2.92 0.11 -0.43 -1.91 120.40 122.88 1wbq s VAL 127 Ca -0.01 -0.96 -0.13 0.00 -2.93 0.00 0.00 61.98 57.95 1wbq s VAL 127 Cb -0.05 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 1wbq s VAL 127 CO -0.00 0.54 0.30 -0.31 -3.33 0.00 0.00 175.10 172.29 1wbq s TYR 128 N 0.40 3.31 -0.18 1.54 1.51 0.80 -0.96 117.35 123.78 1wbq s TYR 128 Ca -0.18 0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 56.16 1wbq s TYR 128 Cb -0.18 -2.44 0.06 0.00 -0.11 0.00 0.00 41.96 39.29 1wbq s TYR 128 CO 0.08 -0.05 0.44 -1.58 -1.11 0.00 0.00 175.55 173.33 1wbq s HIS 129 N 1.45 -0.61 -1.34 2.71 2.46 0.13 -1.16 115.29 118.94 1wbq s HIS 129 Ca 0.13 1.32 -0.15 0.00 0.47 0.00 0.00 55.06 56.83 1wbq s HIS 129 Cb -0.15 0.27 0.08 0.00 -0.13 0.00 0.00 32.58 32.65 1wbq s HIS 129 CO 0.08 -0.33 1.88 0.00 -2.47 0.00 0.00 174.74 173.90 1wbq n ALA 130 N 3.89 4.46 -1.89 1.58 0.00 -1.26 -3.87 120.51 123.43 1wbq n ALA 130 Ca -0.20 -3.96 -0.42 0.00 0.00 0.00 0.00 53.44 48.86 1wbq n ALA 130 Cb 0.56 -3.45 -0.03 0.00 0.00 0.00 0.00 19.45 16.53 1wbq n ALA 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wbq s GLN 131 N 3.14 4.20 0.00 0.00 0.74 -1.26 -2.16 119.66 124.32 1wbq s GLN 131 Ca 0.49 2.41 0.00 0.00 0.05 0.00 0.00 55.36 58.31 1wbq s GLN 131 Cb 0.07 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 31.05 1wbq s GLN 131 CO 0.00 -0.62 0.00 0.41 -0.55 0.00 0.00 175.29 174.53 1wbq n GLY 132 N 3.64 0.93 0.07 2.59 0.00 -1.26 -4.96 105.19 106.20 1wbq n GLY 132 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1wbq n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wbq h GLU 133 N 3.48 -0.07 -4.48 1.61 4.57 -1.87 -3.44 114.58 114.39 1wbq h GLU 133 Ca 0.00 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.81 1wbq h GLU 133 Cb 0.00 0.02 -0.30 0.00 -0.16 0.00 0.00 28.75 28.31 1wbq h GLU 133 CO 0.00 0.21 -0.77 0.71 -1.18 0.00 0.00 179.01 177.98 1wbq s TYR 134 N -5.09 0.71 0.24 0.92 2.02 -1.26 -5.06 117.35 109.83 1wbq s TYR 134 Ca -0.15 -0.15 -0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1wbq s TYR 134 Cb 0.03 -0.49 0.26 0.00 -0.40 0.00 0.00 41.96 41.37 1wbq s TYR 134 CO 0.65 -0.05 1.72 0.00 -1.57 0.00 0.00 175.55 176.31 1wbq h ALA 135 N 6.18 1.03 -0.36 3.71 0.00 -1.99 -2.42 119.26 125.40 1wbq h ALA 135 Ca -0.31 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1wbq h ALA 135 Cb 1.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1wbq h ALA 135 CO 0.49 0.60 -0.08 0.10 0.00 0.00 0.00 179.25 180.36 1wbq h TYR 136 N 0.79 0.65 -0.24 0.00 -0.00 -2.00 -1.92 116.97 114.25 1wbq h TYR 136 Ca 0.15 -0.10 -0.10 0.00 -0.00 0.00 0.00 58.73 58.68 1wbq h TYR 136 Cb 0.50 -0.18 -0.00 0.00 -0.00 0.00 0.00 36.73 37.05 1wbq h TYR 136 CO 0.03 0.67 -0.24 0.00 -0.00 0.00 0.00 178.16 178.62 1wbq h ALA 137 N 1.35 0.36 -0.82 0.10 0.00 -1.93 -2.67 119.26 115.66 1wbq h ALA 137 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wbq h ALA 137 Cb 0.48 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1wbq h ALA 137 CO 0.03 0.33 0.49 -0.44 0.00 0.00 0.00 179.25 179.66 1wbq h ASP 138 N 0.31 0.98 -0.13 0.00 3.32 -1.31 -1.10 116.42 118.49 1wbq h ASP 138 Ca 0.04 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.05 1wbq h ASP 138 Cb 0.80 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1wbq h ASP 138 CO 0.06 0.76 -0.03 0.58 -1.72 0.00 0.00 179.24 178.89 1wbq h VAL 139 N 1.12 0.88 -0.11 -1.35 2.07 -1.30 0.26 116.25 117.82 1wbq h VAL 139 Ca 0.29 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.82 1wbq h VAL 139 Cb -0.05 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1wbq h VAL 139 CO -0.06 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.00 1wbq h ILE 140 N 0.01 1.01 -0.25 4.57 2.04 -1.16 -1.31 117.51 122.42 1wbq h ILE 140 Ca 0.06 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 1wbq h ILE 140 Cb 0.09 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1wbq h ILE 140 CO -0.12 0.02 0.01 0.58 0.00 0.00 0.00 178.15 178.64 1wbq h VAL 141 N 0.13 1.25 -0.70 1.67 2.07 -1.09 -1.98 116.25 117.60 1wbq h VAL 141 Ca 0.04 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1wbq h VAL 141 Cb 0.00 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1wbq h VAL 141 CO -0.03 0.27 0.36 0.78 0.02 0.00 0.00 177.57 178.97 1wbq h ASN 142 N 0.21 0.88 -0.34 0.57 2.35 -0.90 -1.40 115.58 116.95 1wbq h ASN 142 Ca 0.07 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1wbq h ASN 142 Cb 0.39 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1wbq h ASN 142 CO 0.01 0.73 0.07 0.28 -1.65 0.00 0.00 177.43 176.87 1wbq h SER 143 N 0.98 0.52 -0.21 5.81 0.02 -1.10 -0.31 113.55 119.26 1wbq h SER 143 Ca 0.24 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1wbq h SER 143 Cb 0.07 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1wbq h SER 143 CO -0.04 0.63 0.01 0.00 -1.14 0.00 0.00 176.83 176.29 1wbq h ALA 144 N 0.91 0.19 -0.51 3.77 0.00 -1.04 -1.52 119.26 121.06 1wbq h ALA 144 Ca 0.11 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1wbq h ALA 144 Cb 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1wbq h ALA 144 CO 0.00 -0.42 -0.05 -0.07 0.00 0.00 0.00 179.25 178.71 1wbq h LEU 145 N 0.08 0.88 -0.15 0.00 3.38 -1.16 -2.23 115.31 116.10 1wbq h LEU 145 Ca 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1wbq h LEU 145 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1wbq h LEU 145 CO -0.16 0.97 0.10 -0.33 0.09 0.00 0.00 178.44 179.10 1wbq h GLU 146 N 0.82 0.20 -0.84 1.13 4.39 -0.88 -0.29 114.58 119.11 1wbq h GLU 146 Ca 0.14 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.93 1wbq h GLU 146 Cb 0.56 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 1wbq h GLU 146 CO 0.03 0.15 0.48 0.87 -1.16 0.00 0.00 179.01 179.38 1wbq h LYS 147 N 0.19 0.78 0.00 2.33 1.57 -1.01 -1.24 116.57 119.20 1wbq h LYS 147 Ca 0.05 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1wbq h LYS 147 Cb -0.01 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1wbq h LYS 147 CO -0.01 0.52 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.31 1wbq h LEU 148 N 0.80 -0.00 -0.40 2.94 3.38 -1.15 -1.93 115.31 118.96 1wbq h LEU 148 Ca 0.40 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1wbq h LEU 148 Cb 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1wbq h LEU 148 CO -0.25 0.35 0.07 0.03 0.09 0.00 0.00 178.44 178.73 1wbq h ARG 149 N -0.35 0.19 -0.01 1.13 3.08 -0.76 -2.31 114.38 115.35 1wbq h ARG 149 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wbq h ARG 149 Cb 0.35 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1wbq h ARG 149 CO 0.00 0.13 0.00 1.63 -1.07 0.00 0.00 179.97 180.66 1wbq n LYS 150 N -5.11 1.19 -1.03 0.04 5.02 -0.49 -4.19 118.16 113.59 1wbq n LYS 150 Ca 0.03 -0.28 -0.13 0.00 -2.02 0.00 0.00 58.31 55.91 1wbq n LYS 150 Cb 0.18 -1.46 0.21 0.00 -0.02 0.00 0.00 35.03 33.94 1wbq n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wbq n GLY 151 N 1.02 4.45 0.32 0.72 0.00 -0.73 -4.66 105.19 106.32 1wbq n GLY 151 Ca 0.21 -1.11 0.01 0.00 0.00 0.00 0.00 46.02 45.13 1wbq n GLY 151 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wbq h SER 152 N 1.34 0.66 0.38 1.61 4.64 -1.73 -0.22 113.55 120.23 1wbq h SER 152 Ca 0.42 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 1wbq h SER 152 Cb 2.35 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 64.27 1wbq h SER 152 CO 0.78 0.53 -0.12 0.03 -0.87 0.00 0.00 176.83 177.18 1wbq h ARG 153 N 0.76 0.00 -0.64 4.77 3.08 -1.90 -0.42 114.38 120.03 1wbq h ARG 153 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1wbq h ARG 153 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1wbq h ARG 153 CO -0.03 0.12 0.00 1.04 -1.07 0.00 0.00 179.97 180.02 1wbq n GLN 154 N -3.63 3.27 -2.70 0.04 3.00 -0.28 -4.94 117.38 112.13 1wbq n GLN 154 Ca -0.02 -2.44 -0.20 0.00 -0.01 0.00 0.00 57.00 54.33 1wbq n GLN 154 Cb 0.24 -1.78 0.01 0.00 0.00 0.00 0.00 30.24 28.72 1wbq n GLN 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1wbq n ASN 155 N 0.99 -5.73 -4.89 1.08 3.02 -0.17 -5.01 115.26 104.56 1wbq n ASN 155 Ca 0.22 -0.16 -0.34 0.00 -0.03 0.00 0.00 54.58 54.27 1wbq n ASN 155 Cb 0.76 -4.65 -0.05 0.00 -0.61 0.00 0.00 39.78 35.23 1wbq n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wbq s LEU 156 N -5.96 4.36 0.00 3.41 1.43 -0.25 -4.98 118.68 116.69 1wbq s LEU 156 Ca 0.16 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 1wbq s LEU 156 Cb -0.07 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 1wbq s LEU 156 CO 0.20 0.23 -0.04 0.42 0.23 0.00 0.00 176.35 177.39 1wbq s THR 157 N -1.34 0.26 0.06 5.49 -4.23 -1.26 -3.84 115.64 110.79 1wbq s THR 157 Ca 0.29 -0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 1wbq s THR 157 Cb -0.13 -0.26 -0.06 0.00 1.34 0.00 0.00 72.50 73.39 1wbq s THR 157 CO 0.17 -0.03 0.44 0.00 -0.54 0.00 0.00 174.62 174.66 1wbq s ALA 158 N -0.35 3.68 0.16 3.99 0.00 -1.26 -1.76 121.76 126.23 1wbq s ALA 158 Ca -0.02 -0.25 -0.32 0.00 0.00 0.00 0.00 51.96 51.38 1wbq s ALA 158 Cb -0.03 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.61 1wbq s ALA 158 CO -0.00 0.50 1.60 -1.25 0.00 0.00 0.00 175.76 176.62 1wbq s PRO 159 N -1.56 4.20 0.26 0.00 0.04 -1.18 -4.89 135.00 131.86 1wbq s PRO 159 Ca 0.30 2.40 0.25 0.00 0.04 0.00 0.00 61.00 63.99 1wbq s PRO 159 Cb -0.15 -3.19 0.66 0.00 0.04 0.00 0.00 34.50 31.85 1wbq s PRO 159 CO 0.16 -0.64 1.70 0.00 0.04 0.00 0.00 177.00 178.26 1wbq h ALA 160 N 6.98 0.97 -3.10 8.56 0.00 -1.81 -3.45 119.26 127.41 1wbq h ALA 160 Ca -0.43 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 1wbq h ALA 160 Cb 1.20 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.74 1wbq h ALA 160 CO 0.92 0.00 -0.70 0.99 0.00 0.00 0.00 179.25 180.46 1wbq s THR 161 N -3.13 3.60 -0.13 0.00 2.01 -1.17 -5.08 115.64 111.74 1wbq s THR 161 Ca 0.09 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1wbq s THR 161 Cb 0.11 -2.62 -0.00 0.00 0.01 0.00 0.00 72.50 69.99 1wbq s THR 161 CO 0.62 0.44 -0.18 -0.32 -0.69 0.00 0.00 174.62 174.50 1wbq s MET 162 N 1.08 3.20 -0.08 4.92 1.75 -1.26 -1.31 119.30 127.59 1wbq s MET 162 Ca 0.01 -0.78 0.04 0.00 -1.25 0.00 0.00 55.69 53.72 1wbq s MET 162 Cb -0.15 -2.52 0.00 0.00 2.84 0.00 0.00 34.83 35.00 1wbq s MET 162 CO 0.00 0.11 -0.22 0.42 -0.65 0.00 0.00 175.02 174.69 1wbq s ILE 163 N 0.56 1.86 -0.27 10.11 1.01 -0.13 -4.98 121.20 129.35 1wbq s ILE 163 Ca -0.11 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 1wbq s ILE 163 Cb -0.16 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1wbq s ILE 163 CO 0.04 0.52 1.49 -0.62 0.00 0.00 0.00 174.94 176.36 1wbq s ASP 164 N 0.30 6.46 0.02 3.58 -1.08 -1.25 -0.69 116.67 124.01 1wbq s ASP 164 Ca -0.15 1.37 0.25 0.00 -0.52 0.00 0.00 52.55 53.51 1wbq s ASP 164 Cb -0.17 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.82 1wbq s ASP 164 CO 0.07 -1.23 1.81 -2.67 0.52 0.00 0.00 175.17 173.67 1wbq n TRP 165 N 8.26 0.08 -0.16 -5.34 4.27 -1.26 -4.24 117.44 119.04 1wbq n TRP 165 Ca 0.17 0.02 -0.05 0.00 -3.89 0.00 0.00 57.50 53.75 1wbq n TRP 165 Cb 0.46 -0.54 0.04 0.00 -1.36 0.00 0.00 31.31 29.91 1wbq n TRP 165 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wbq h ARG 166 N 0.00 0.53 -0.59 -2.67 3.08 -1.91 -0.33 114.38 112.49 1wbq h ARG 166 Ca 0.00 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1wbq h ARG 166 Cb 0.45 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 1wbq h ARG 166 CO 0.00 0.35 0.22 -1.35 -1.07 0.00 0.00 179.97 178.12 1wbq h PRO 167 N 0.55 0.39 -0.13 0.04 0.11 -1.99 0.26 132.00 131.23 1wbq h PRO 167 Ca 0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1wbq h PRO 167 Cb 0.07 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1wbq h PRO 167 CO -0.12 0.26 0.05 0.28 -0.21 0.00 0.00 178.00 178.25 1wbq h VAL 168 N 0.40 1.16 -0.40 3.15 2.07 -1.71 -2.12 116.25 118.80 1wbq h VAL 168 Ca 0.29 -0.47 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 1wbq h VAL 168 Cb 0.35 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1wbq h VAL 168 CO -0.29 0.14 -0.26 0.58 0.02 0.00 0.00 177.57 177.76 1wbq h VAL 169 N 0.04 1.27 -0.07 2.57 2.07 -0.84 -1.76 116.25 119.54 1wbq h VAL 169 Ca 0.04 -1.40 -0.13 0.00 0.82 0.00 0.00 66.70 66.04 1wbq h VAL 169 Cb 0.18 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1wbq h VAL 169 CO -0.00 0.47 -0.52 0.45 0.02 0.00 0.00 177.57 177.98 1wbq h HIS 170 N 0.72 0.23 -0.30 1.57 3.86 -0.50 0.13 115.15 120.86 1wbq h HIS 170 Ca 0.09 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1wbq h HIS 170 Cb 0.80 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1wbq h HIS 170 CO 0.05 0.67 -0.19 1.49 0.86 0.00 0.00 177.93 180.80 1wbq h GLU 171 N 0.15 0.55 0.21 2.45 4.57 -1.20 -1.36 114.58 119.95 1wbq h GLU 171 Ca 0.00 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1wbq h GLU 171 Cb 0.97 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1wbq h GLU 171 CO 0.08 0.72 -0.10 0.52 -1.18 0.00 0.00 179.01 179.05 1wbq h MET 172 N 0.50 -0.27 -0.10 1.92 2.86 -0.67 -3.17 114.93 115.98 1wbq h MET 172 Ca 0.08 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1wbq h MET 172 Cb 0.61 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1wbq h MET 172 CO 0.04 -0.06 0.09 0.00 1.06 0.00 0.00 176.91 178.04 1wbq h ARG 173 N -0.43 0.00 0.00 1.72 3.08 -0.82 -2.25 114.38 115.68 1wbq h ARG 173 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1wbq h ARG 173 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1wbq h ARG 173 CO 0.05 0.00 -0.14 1.25 -1.07 0.00 0.00 179.97 180.05 1wbq h LEU 174 N 0.00 0.00 -8.31 3.04 5.85 -1.22 -3.39 115.31 111.28 1wbq h LEU 174 Ca 0.05 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.08 1wbq h LEU 174 Cb 0.23 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 40.99 1wbq h LEU 174 CO -0.00 0.14 -0.60 -0.36 -0.34 0.00 0.00 178.44 177.29 1wbq s PHE 175 N -4.51 3.21 0.19 1.25 0.40 -0.85 -4.06 117.98 113.61 1wbq s PHE 175 Ca -0.04 -1.15 -0.27 0.00 -0.60 0.00 0.00 56.93 54.88 1wbq s PHE 175 Cb 0.15 -2.30 -0.08 0.00 0.51 0.00 0.00 43.02 41.30 1wbq s PHE 175 CO 0.65 -0.65 0.83 0.15 0.70 0.00 0.00 175.22 176.90 1wbq s LYS 176 N 1.47 4.66 0.80 0.44 3.01 -0.22 -4.96 119.74 124.94 1wbq s LYS 176 Ca 0.01 1.27 -0.12 0.00 -1.01 0.00 0.00 55.97 56.12 1wbq s LYS 176 Cb -0.18 -3.27 0.07 0.00 -1.01 0.00 0.00 37.83 33.44 1wbq s LYS 176 CO 0.03 0.55 1.13 -1.54 0.51 0.00 0.00 175.35 176.03 1wbq s SER 177 N -1.14 4.51 0.24 2.83 1.04 -1.26 -4.78 113.70 115.13 1wbq s SER 177 Ca 0.38 1.05 -0.06 0.00 0.48 0.00 0.00 55.95 57.80 1wbq s SER 177 Cb -0.24 -1.70 0.35 0.00 0.10 0.00 0.00 66.02 64.53 1wbq s SER 177 CO 0.28 -1.93 1.82 -0.65 0.98 0.00 0.00 173.24 173.74 1wbq h PRO 178 N -1.07 0.77 -0.87 4.02 0.11 -1.99 -1.24 132.00 131.73 1wbq h PRO 178 Ca -0.47 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1wbq h PRO 178 Cb 1.30 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1wbq h PRO 178 CO 0.63 0.51 0.56 0.93 -0.21 0.00 0.00 178.00 180.42 1wbq h GLU 179 N 0.79 1.07 -0.37 1.05 5.08 -1.94 -1.12 114.58 119.14 1wbq h GLU 179 Ca 0.37 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1wbq h GLU 179 Cb 0.29 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1wbq h GLU 179 CO -0.22 0.71 -0.33 0.93 -1.00 0.00 0.00 179.01 179.09 1wbq h GLU 180 N 1.10 0.84 -0.63 2.33 5.08 -1.80 -1.98 114.58 119.51 1wbq h GLU 180 Ca 0.34 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1wbq h GLU 180 Cb -0.01 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1wbq h GLU 180 CO -0.11 1.04 0.18 0.82 -1.00 0.00 0.00 179.01 179.94 1wbq h ILE 181 N 0.70 1.24 -0.55 3.13 2.04 -0.93 -0.46 117.51 122.68 1wbq h ILE 181 Ca 0.07 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 1wbq h ILE 181 Cb 0.89 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1wbq h ILE 181 CO 0.08 0.33 0.01 0.00 0.00 0.00 0.00 178.15 178.57 1wbq h ALA 182 N 1.25 0.98 -0.38 1.87 0.00 -0.95 0.18 119.26 122.22 1wbq h ALA 182 Ca 0.21 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1wbq h ALA 182 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wbq h ALA 182 CO -0.00 0.62 -0.11 0.28 0.00 0.00 0.00 179.25 180.04 1wbq h VAL 183 N 0.87 1.28 -0.18 0.00 2.07 -1.14 -2.09 116.25 117.06 1wbq h VAL 183 Ca 0.16 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 1wbq h VAL 183 Cb 0.49 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1wbq h VAL 183 CO 0.02 0.40 -0.25 -0.07 0.02 0.00 0.00 177.57 177.69 1wbq h LEU 184 N 0.54 0.32 -0.51 2.57 3.38 -0.85 -0.87 115.31 119.88 1wbq h LEU 184 Ca 0.09 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1wbq h LEU 184 Cb 0.63 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1wbq h LEU 184 CO 0.04 0.58 0.32 -0.09 0.09 0.00 0.00 178.44 179.38 1wbq h ARG 185 N 0.29 0.63 -0.57 1.13 2.43 -0.50 -0.40 114.38 117.39 1wbq h ARG 185 Ca 0.05 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1wbq h ARG 185 Cb 0.60 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1wbq h ARG 185 CO 0.04 0.42 0.06 -0.09 -1.51 0.00 0.00 179.97 178.89 1wbq h ARG 186 N 0.65 0.97 -0.92 0.20 9.65 -0.90 -1.69 114.38 122.35 1wbq h ARG 186 Ca 0.19 -0.28 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1wbq h ARG 186 Cb -0.03 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.40 1wbq h ARG 186 CO -0.06 0.94 0.53 0.00 2.80 0.00 0.00 179.97 184.18 1wbq h ALA 187 N 0.99 1.20 -0.62 2.80 0.00 -0.92 0.16 119.26 122.87 1wbq h ALA 187 Ca 0.17 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1wbq h ALA 187 Cb 0.47 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1wbq h ALA 187 CO 0.02 0.67 0.13 0.78 0.00 0.00 0.00 179.25 180.84 1wbq h GLY 188 N 1.29 1.06 0.74 0.00 0.00 -0.81 -0.81 103.07 104.53 1wbq h GLY 188 Ca 0.33 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1wbq h GLY 188 CO -0.06 0.61 -0.14 -2.09 0.00 0.00 0.00 176.54 174.86 1wbq h GLU 189 N 0.93 0.34 -0.40 4.80 4.81 -0.84 0.29 114.58 124.51 1wbq h GLU 189 Ca 0.19 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1wbq h GLU 189 Cb 0.36 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1wbq h GLU 189 CO 0.00 0.73 0.21 0.82 -0.73 0.00 0.00 179.01 180.04 1wbq h ILE 190 N -0.03 1.00 -0.56 2.32 2.04 -0.92 -0.98 117.51 120.37 1wbq h ILE 190 Ca 0.02 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1wbq h ILE 190 Cb 0.66 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1wbq h ILE 190 CO 0.03 0.08 0.15 0.74 0.00 0.00 0.00 178.15 179.15 1wbq h THR 191 N 0.43 1.24 -0.81 -0.27 2.02 -1.10 -2.37 112.91 112.06 1wbq h THR 191 Ca 0.17 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 1wbq h THR 191 Cb 0.05 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1wbq h THR 191 CO -0.10 0.32 0.38 0.00 0.37 0.00 0.00 175.52 176.48 1wbq h ALA 192 N 1.03 1.05 -0.85 6.16 0.00 -0.66 -1.91 119.26 124.08 1wbq h ALA 192 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wbq h ALA 192 Cb 0.32 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1wbq h ALA 192 CO -0.00 0.62 0.53 0.52 0.00 0.00 0.00 179.25 180.92 1wbq h MET 193 N 1.15 1.14 -0.51 0.00 2.07 -1.00 -0.87 114.93 116.91 1wbq h MET 193 Ca 0.28 -0.09 -0.08 0.00 -2.07 0.00 0.00 59.70 57.74 1wbq h MET 193 Cb 0.14 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 29.60 1wbq h MET 193 CO -0.03 0.78 0.01 0.00 1.07 0.00 0.00 176.91 178.74 1wbq h ALA 194 N 1.43 0.69 -0.48 6.32 0.00 -0.90 -1.50 119.26 124.81 1wbq h ALA 194 Ca 0.31 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1wbq h ALA 194 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1wbq h ALA 194 CO -0.06 0.49 -0.19 0.45 0.00 0.00 0.00 179.25 179.94 1wbq h HIS 195 N 0.77 1.10 -0.22 0.00 3.86 -1.08 -1.25 115.15 118.33 1wbq h HIS 195 Ca 0.15 -0.26 0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1wbq h HIS 195 Cb 0.50 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1wbq h HIS 195 CO 0.04 1.07 0.07 1.15 0.86 0.00 0.00 177.93 181.12 1wbq h THR 196 N 0.84 0.95 -0.55 2.45 2.02 -1.13 -2.18 112.91 115.31 1wbq h THR 196 Ca 0.11 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.28 1wbq h THR 196 Cb 0.76 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1wbq h THR 196 CO 0.06 0.03 0.29 -0.09 0.37 0.00 0.00 175.52 176.18 1wbq h ARG 197 N 0.17 0.53 -0.40 6.66 2.43 -1.12 -1.22 114.38 121.44 1wbq h ARG 197 Ca 0.09 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1wbq h ARG 197 Cb 0.06 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1wbq h ARG 197 CO -0.10 0.35 0.23 0.00 -1.51 0.00 0.00 179.97 178.94 1wbq h ALA 198 N 1.30 0.50 -0.89 2.80 0.00 -1.04 -0.12 119.26 121.81 1wbq h ALA 198 Ca 0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wbq h ALA 198 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1wbq h ALA 198 CO -0.17 -0.11 0.56 0.52 0.00 0.00 0.00 179.25 180.05 1wbq h MET 199 N 0.46 1.20 -0.05 0.00 2.86 -1.07 -1.08 114.93 117.25 1wbq h MET 199 Ca 0.16 -0.10 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 1wbq h MET 199 Cb 0.02 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 1wbq h MET 199 CO -0.08 0.83 -0.53 0.93 1.06 0.00 0.00 176.91 179.12 1wbq h GLU 200 N 1.22 0.14 0.00 1.72 5.08 -0.73 -3.25 114.58 118.76 1wbq h GLU 200 Ca 0.32 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.39 1wbq h GLU 200 Cb -0.08 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1wbq h GLU 200 CO -0.06 0.63 -1.29 0.87 -1.00 0.00 0.00 179.01 178.15 1wbq h LYS 201 N 0.11 0.00 -6.33 2.33 1.79 -0.81 -3.44 116.57 110.22 1wbq h LYS 201 Ca 0.00 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.83 1wbq h LYS 201 Cb 0.97 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.66 1wbq h LYS 201 CO 0.08 0.55 0.76 0.00 -1.08 0.00 0.00 179.45 179.76 1wbq s ARG 203 N 1.75 0.44 0.35 0.00 1.81 -1.26 -4.97 118.95 117.08 1wbq s ARG 203 Ca 0.86 -0.54 -0.29 0.00 -1.72 0.00 0.00 55.73 54.04 1wbq s ARG 203 Cb -0.83 -0.26 -0.12 0.00 -0.45 0.00 0.00 34.95 33.29 1wbq s ARG 203 CO 0.47 0.05 1.46 -2.30 -0.68 0.00 0.00 175.30 174.31 1wbq n PRO 204 N 1.98 2.52 0.00 3.54 -0.02 -1.26 -2.53 135.00 139.23 1wbq n PRO 204 Ca -0.20 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1wbq n PRO 204 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1wbq n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wbq n GLY 205 N 0.93 3.38 3.80 -1.23 0.00 0.14 -4.98 105.19 107.23 1wbq n GLY 205 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1wbq n GLY 205 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wbq s MET 206 N -0.87 3.00 0.37 1.61 -1.94 -1.05 -4.76 119.30 115.67 1wbq s MET 206 Ca 0.00 1.13 -0.08 0.00 -1.71 0.00 0.00 55.69 55.03 1wbq s MET 206 Cb 0.00 -1.99 -0.06 0.00 2.01 0.00 0.00 34.83 34.79 1wbq s MET 206 CO 0.00 -1.06 0.70 -0.06 -0.01 0.00 0.00 175.02 174.59 1wbq s PHE 207 N -2.71 3.48 0.28 -0.03 0.40 -1.26 0.09 117.98 118.23 1wbq s PHE 207 Ca 0.62 0.90 0.03 0.00 -0.60 0.00 0.00 56.93 57.87 1wbq s PHE 207 Cb -0.16 -2.32 0.66 0.00 0.51 0.00 0.00 43.02 41.71 1wbq s PHE 207 CO 0.46 -0.03 1.75 0.93 0.70 0.00 0.00 175.22 179.04 1wbq h GLU 208 N 1.33 0.61 0.00 0.44 5.08 -1.89 -1.47 114.58 118.68 1wbq h GLU 208 Ca -0.47 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1wbq h GLU 208 Cb 1.19 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1wbq h GLU 208 CO 0.64 0.40 -0.09 0.10 -1.00 0.00 0.00 179.01 179.07 1wbq h TYR 209 N 0.63 0.00 -0.68 4.33 -0.00 -1.61 -2.39 116.97 117.24 1wbq h TYR 209 Ca 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.24 1wbq h TYR 209 Cb 0.84 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.54 1wbq h TYR 209 CO -0.07 0.09 0.36 0.45 -0.00 0.00 0.00 178.16 178.99 1wbq h HIS 210 N 0.00 0.93 -0.23 0.10 3.86 -1.58 0.04 115.15 118.27 1wbq h HIS 210 Ca -0.00 -0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.03 1wbq h HIS 210 Cb 0.33 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1wbq h HIS 210 CO 0.00 0.66 -0.51 -0.07 0.86 0.00 0.00 177.93 178.87 1wbq h LEU 211 N 0.95 0.71 -0.76 2.43 3.38 -1.53 -1.74 115.31 118.75 1wbq h LEU 211 Ca 0.24 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.94 1wbq h LEU 211 Cb 0.05 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 1wbq h LEU 211 CO -0.04 1.09 0.40 -0.08 0.09 0.00 0.00 178.44 179.90 1wbq h GLU 212 N 0.50 0.66 -0.39 1.13 4.81 -1.37 -1.28 114.58 118.63 1wbq h GLU 212 Ca 0.02 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1wbq h GLU 212 Cb 1.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1wbq h GLU 212 CO 0.10 0.43 0.24 0.78 -0.73 0.00 0.00 179.01 179.84 1wbq h GLY 213 N 0.68 0.57 0.89 1.92 0.00 -0.61 -0.89 103.07 105.62 1wbq h GLY 213 Ca 0.37 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.49 1wbq h GLY 213 CO -0.26 0.23 0.25 0.83 0.00 0.00 0.00 176.54 177.59 1wbq h GLU 214 N 0.52 0.49 -0.32 4.80 4.39 -1.00 -1.98 114.58 121.48 1wbq h GLU 214 Ca 0.14 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1wbq h GLU 214 Cb -0.01 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1wbq h GLU 214 CO -0.03 0.32 0.15 0.82 -1.16 0.00 0.00 179.01 179.12 1wbq h ILE 215 N 0.50 1.16 -0.21 3.13 2.04 -0.98 -1.64 117.51 121.52 1wbq h ILE 215 Ca 0.17 -0.46 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 1wbq h ILE 215 Cb 0.02 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1wbq h ILE 215 CO -0.08 0.17 -0.34 0.45 0.00 0.00 0.00 178.15 178.35 1wbq h HIS 216 N 0.38 0.49 -0.63 1.37 3.86 -1.10 -1.16 115.15 118.37 1wbq h HIS 216 Ca 0.11 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1wbq h HIS 216 Cb 0.12 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 1wbq h HIS 216 CO -0.02 0.72 0.23 1.25 0.86 0.00 0.00 177.93 180.96 1wbq h HIS 217 N 0.37 0.99 -0.09 2.45 -0.00 -1.10 -1.07 115.15 116.69 1wbq h HIS 217 Ca 0.04 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1wbq h HIS 217 Cb 0.77 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1wbq h HIS 217 CO 0.02 0.80 0.03 1.49 -0.00 0.00 0.00 177.93 180.27 1wbq h GLU 218 N 0.90 0.14 -0.44 5.26 4.57 -0.98 -1.18 114.58 122.84 1wbq h GLU 218 Ca 0.21 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.45 1wbq h GLU 218 Cb 0.25 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.73 1wbq h GLU 218 CO -0.01 0.29 -0.18 0.74 -1.18 0.00 0.00 179.01 178.67 1wbq h PHE 219 N -0.04 -0.42 -0.86 0.92 0.04 -1.06 -2.49 116.94 113.02 1wbq h PHE 219 Ca 0.03 0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1wbq h PHE 219 Cb 0.20 0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 1wbq h PHE 219 CO -0.01 -0.26 0.53 -0.97 -0.60 0.00 0.00 178.31 177.01 1wbq h ASN 220 N -0.08 1.02 1.32 2.17 -0.73 -0.86 -1.22 115.58 117.20 1wbq h ASN 220 Ca 0.21 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.33 1wbq h ASN 220 Cb 0.41 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1wbq h ASN 220 CO -0.50 0.78 0.00 0.08 -0.37 0.00 0.00 177.43 177.42 1wbq h ARG 221 N 1.18 0.00 -0.28 6.67 0.11 -0.75 -1.27 114.38 120.04 1wbq h ARG 221 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 1wbq h ARG 221 Cb -0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.01 1wbq h ARG 221 CO -0.06 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.73 1wbq n HIS 222 N -3.01 0.36 -0.56 4.08 8.25 -1.00 -4.92 115.22 118.42 1wbq n HIS 222 Ca 0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1wbq n HIS 222 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1wbq n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wbq n GLY 223 N 1.20 0.72 3.33 -1.41 0.00 -0.48 -5.02 105.19 103.54 1wbq n GLY 223 Ca 0.16 -0.02 -0.47 0.00 0.00 0.00 0.00 46.02 45.69 1wbq n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbq s ALA 224 N -2.00 3.97 0.32 4.61 0.00 -0.49 -4.89 121.76 123.27 1wbq s ALA 224 Ca 0.00 -3.15 0.08 0.00 0.00 0.00 0.00 51.96 48.89 1wbq s ALA 224 Cb 0.00 -3.51 0.54 0.00 0.00 0.00 0.00 23.12 20.15 1wbq s ALA 224 CO 0.00 -2.28 1.74 0.00 0.00 0.00 0.00 175.76 175.22 1wbq h ARG 225 N 8.03 0.17 -6.44 0.00 3.08 -1.79 -2.92 114.38 114.51 1wbq h ARG 225 Ca 0.04 -0.07 -0.64 0.00 0.07 0.00 0.00 59.98 59.37 1wbq h ARG 225 Cb 1.05 -0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.83 1wbq h ARG 225 CO 0.82 0.54 -0.86 0.71 -1.07 0.00 0.00 179.97 180.11 1wbq s TYR 226 N -4.17 2.09 0.72 3.04 2.02 -1.26 -4.79 117.35 115.00 1wbq s TYR 226 Ca -0.04 -0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.12 1wbq s TYR 226 Cb 0.14 -1.24 0.04 0.00 -0.40 0.00 0.00 41.96 40.49 1wbq s TYR 226 CO 0.76 0.12 1.17 -2.14 -1.57 0.00 0.00 175.55 173.88 1wbq s PRO 227 N -1.24 2.26 0.16 -1.71 0.02 -1.26 -1.10 135.00 132.13 1wbq s PRO 227 Ca 0.10 1.60 0.26 0.00 0.02 0.00 0.00 61.00 62.98 1wbq s PRO 227 Cb -0.09 -1.86 0.78 0.00 0.02 0.00 0.00 34.50 33.34 1wbq s PRO 227 CO 0.02 -1.71 1.71 -1.13 -0.33 0.00 0.00 177.00 175.55 1wbq n SER 228 N -2.78 0.67 -3.65 2.53 3.41 -0.35 -4.49 113.62 108.96 1wbq n SER 228 Ca 0.12 0.46 -0.09 0.00 -0.26 0.00 0.00 58.87 59.10 1wbq n SER 228 Cb 0.51 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1wbq n SER 228 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1wbq s TYR 229 N -3.09 -0.34 0.06 7.33 1.13 -1.26 -4.72 117.35 116.46 1wbq s TYR 229 Ca 0.10 0.01 -0.31 0.00 -1.41 0.00 0.00 57.07 55.47 1wbq s TYR 229 Cb 0.14 0.64 -0.07 0.00 -1.10 0.00 0.00 41.96 41.56 1wbq s TYR 229 CO 0.61 -1.02 1.51 -0.80 -2.51 0.00 0.00 175.55 173.34 1wbq s ASN 230 N -2.83 6.73 0.18 -0.18 0.01 -1.26 -4.74 114.94 112.85 1wbq s ASN 230 Ca 0.07 2.33 -0.30 0.00 -0.71 0.00 0.00 52.86 54.25 1wbq s ASN 230 Cb -0.03 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 38.97 1wbq s ASN 230 CO -0.02 -0.78 1.35 -0.89 -1.51 0.00 0.00 177.10 175.25 1wbq s THR 231 N 2.12 3.17 -0.22 1.60 2.01 -1.26 -4.96 115.64 118.10 1wbq s THR 231 Ca 0.68 0.92 -0.08 0.00 0.31 0.00 0.00 61.69 63.52 1wbq s THR 231 Cb -0.37 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1wbq s THR 231 CO 0.30 0.12 0.08 -0.63 -0.69 0.00 0.00 174.62 173.79 1wbq s ILE 232 N 0.42 4.66 -0.45 1.82 1.01 -0.28 -4.66 121.20 123.72 1wbq s ILE 232 Ca 0.60 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.20 1wbq s ILE 232 Cb -0.37 -3.14 0.14 0.00 0.01 0.00 0.00 42.46 39.10 1wbq s ILE 232 CO 0.36 0.39 0.27 -0.69 0.00 0.00 0.00 174.94 175.27 1wbq s VAL 233 N 1.03 1.29 -0.43 2.92 1.01 -1.25 -1.34 120.40 123.63 1wbq s VAL 233 Ca 0.04 -2.64 -0.09 0.00 0.00 0.00 0.00 61.98 59.29 1wbq s VAL 233 Cb -0.14 -1.90 0.09 0.00 0.00 0.00 0.00 36.38 34.43 1wbq s VAL 233 CO 0.03 -0.95 0.28 -0.83 0.00 0.00 0.00 175.10 173.63 1wbq s GLY 234 N 0.22 1.98 0.10 4.51 0.00 -0.15 -4.53 107.32 109.47 1wbq s GLY 234 Ca 0.20 -2.23 -0.04 0.00 0.00 0.00 0.00 44.72 42.66 1wbq s GLY 234 CO -0.04 1.00 0.32 -1.35 0.00 0.00 0.00 173.10 173.03 1wbq s SER 235 N 2.24 6.45 1.74 1.64 1.04 -1.26 -0.99 113.70 124.57 1wbq s SER 235 Ca 0.04 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1wbq s SER 235 Cb -0.24 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1wbq s SER 235 CO 0.02 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1wbq n GLY 236 N 0.25 3.49 0.14 7.32 0.00 0.32 -1.94 105.19 114.78 1wbq n GLY 236 Ca -0.04 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1wbq n GLY 236 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wbq h GLU 237 N 0.00 0.00 0.00 1.61 5.08 -1.91 -1.78 114.58 117.58 1wbq h GLU 237 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1wbq h GLU 237 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wbq h GLU 237 CO 0.00 0.00 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.02 1wbq h ASN 238 N 0.00 0.00 -0.00 1.42 2.35 -1.68 -2.91 115.58 114.75 1wbq h ASN 238 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wbq h ASN 238 Cb 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1wbq h ASN 238 CO 0.00 0.08 0.00 1.23 -1.65 0.00 0.00 177.43 177.10 1wbq h GLY 239 N 1.02 0.00 2.00 2.83 0.00 -1.33 -2.42 103.07 105.17 1wbq h GLY 239 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wbq h GLY 239 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1wbq s ILE 241 N -3.00 5.01 0.17 0.00 1.01 -0.91 -4.98 121.20 118.49 1wbq s ILE 241 Ca 0.13 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.71 1wbq s ILE 241 Cb 0.18 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.68 1wbq s ILE 241 CO 0.50 -0.35 1.79 -0.07 0.00 0.00 0.00 174.94 176.81 1wbq h LEU 242 N 9.19 0.67 -5.14 2.97 3.38 -1.85 -2.93 115.31 121.60 1wbq h LEU 242 Ca -0.27 -0.08 -0.68 0.00 0.09 0.00 0.00 57.88 56.94 1wbq h LEU 242 Cb 1.12 -0.17 -0.35 0.00 0.09 0.00 0.00 40.66 41.34 1wbq h LEU 242 CO 0.80 0.55 0.10 1.41 0.09 0.00 0.00 178.44 181.39 1wbq n HIS 243 N -4.64 3.33 -2.54 1.13 8.25 -1.26 -4.98 115.22 114.51 1wbq n HIS 243 Ca 0.03 -3.00 -0.43 0.00 -0.26 0.00 0.00 57.72 54.06 1wbq n HIS 243 Cb 0.07 -0.68 -0.02 0.00 1.12 0.00 0.00 29.99 30.49 1wbq n HIS 243 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1wbq s TYR 244 N -3.82 2.74 0.00 4.41 5.04 -1.11 -4.85 117.35 119.76 1wbq s TYR 244 Ca 0.48 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.86 1wbq s TYR 244 Cb 0.35 -4.32 0.00 0.00 0.35 0.00 0.00 41.96 38.34 1wbq s TYR 244 CO -0.23 -1.41 0.59 0.25 -1.34 0.00 0.00 175.55 173.41 1wbq n THR 245 N 6.78 0.31 -0.13 4.34 -2.24 -1.26 -4.11 114.28 117.96 1wbq n THR 245 Ca 0.13 -0.56 -0.08 0.00 -2.27 0.00 0.00 64.05 61.27 1wbq n THR 245 Cb 0.48 0.97 0.07 0.00 -2.10 0.00 0.00 70.33 69.75 1wbq n THR 245 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wbq h GLU 246 N 0.00 0.88 -6.61 -0.78 3.07 -1.88 -3.47 114.58 105.79 1wbq h GLU 246 Ca 0.00 -0.33 -0.52 0.00 -0.50 0.00 0.00 59.36 58.01 1wbq h GLU 246 Cb 0.29 -0.06 -0.12 0.00 -0.84 0.00 0.00 28.75 28.01 1wbq h GLU 246 CO 0.00 0.97 -0.86 0.09 -1.40 0.00 0.00 179.01 177.81 1wbq n ASN 247 N -4.14 -1.92 -2.80 1.42 3.02 -1.26 -4.91 115.26 104.68 1wbq n ASN 247 Ca 0.01 -1.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.22 1wbq n ASN 247 Cb 0.40 -2.94 0.02 0.00 -0.61 0.00 0.00 39.78 36.65 1wbq n ASN 247 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1wbq n GLU 248 N -4.42 3.23 -4.48 3.52 0.28 -1.26 -1.52 120.64 115.99 1wbq n GLU 248 Ca -0.12 -4.07 -0.34 0.00 -0.16 0.00 0.00 57.16 52.48 1wbq n GLU 248 Cb 0.59 -2.27 -0.12 0.00 1.43 0.00 0.00 31.44 31.07 1wbq n GLU 248 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1wbq s GLU 250 N -3.85 3.45 -0.01 3.44 2.12 -1.26 -4.86 118.70 117.73 1wbq s GLU 250 Ca 0.49 -0.53 -0.26 0.00 0.36 0.00 0.00 54.97 55.03 1wbq s GLU 250 Cb 0.40 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 1wbq s GLU 250 CO -0.29 0.34 0.82 -1.64 -0.54 0.00 0.00 175.26 173.95 1wbq s MET 251 N 0.08 4.51 -0.07 4.30 -1.94 0.11 -4.88 119.30 121.41 1wbq s MET 251 Ca -0.01 1.14 0.02 0.00 -1.71 0.00 0.00 55.69 55.13 1wbq s MET 251 Cb -0.14 -3.43 -0.03 0.00 2.01 0.00 0.00 34.83 33.25 1wbq s MET 251 CO 0.03 0.08 -0.11 1.03 -0.01 0.00 0.00 175.02 176.04 1wbq s ARG 252 N 0.64 2.74 0.11 2.03 0.52 -1.26 -0.69 118.95 123.03 1wbq s ARG 252 Ca 0.43 -0.63 -0.36 0.00 -0.52 0.00 0.00 55.73 54.65 1wbq s ARG 252 Cb -0.20 -2.50 -0.16 0.00 0.52 0.00 0.00 34.95 32.61 1wbq s ARG 252 CO 0.23 0.58 1.41 -3.47 0.02 0.00 0.00 175.30 174.07 1wbq n ASP 253 N 2.46 2.08 0.00 0.23 2.03 -1.26 -2.06 116.55 120.03 1wbq n ASP 253 Ca -0.18 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1wbq n ASP 253 Cb 0.53 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1wbq n ASP 253 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wbq n GLY 254 N 2.79 2.94 3.92 0.27 0.00 -1.26 -5.02 105.19 108.83 1wbq n GLY 254 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1wbq n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wbq s ASP 255 N -1.27 6.37 0.38 1.61 1.01 -0.88 -4.97 116.67 118.92 1wbq s ASP 255 Ca 0.00 0.56 -0.08 0.00 0.71 0.00 0.00 52.55 53.74 1wbq s ASP 255 Cb 0.00 -2.08 -0.05 0.00 1.01 0.00 0.00 42.92 41.80 1wbq s ASP 255 CO 0.00 -0.22 0.70 -0.76 0.21 0.00 0.00 175.17 175.10 1wbq s LEU 256 N -3.87 3.87 -0.08 1.23 1.43 -1.26 -1.25 118.68 118.75 1wbq s LEU 256 Ca 0.41 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 1wbq s LEU 256 Cb -0.10 -3.83 0.01 0.00 0.03 0.00 0.00 46.19 42.29 1wbq s LEU 256 CO 0.33 -0.37 -0.16 0.54 0.23 0.00 0.00 176.35 176.92 1wbq s VAL 257 N -2.35 1.46 -0.28 -1.59 0.11 0.47 -0.52 120.40 117.71 1wbq s VAL 257 Ca 0.48 -0.66 -0.10 0.00 -2.93 0.00 0.00 61.98 58.77 1wbq s VAL 257 Cb -0.10 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 1wbq s VAL 257 CO 0.33 0.43 0.16 -0.22 -3.33 0.00 0.00 175.10 172.47 1wbq s LEU 258 N 0.60 3.89 -0.25 2.54 0.20 -0.17 -1.75 118.68 123.75 1wbq s LEU 258 Ca -0.15 -0.10 -0.01 0.00 0.69 0.00 0.00 54.13 54.57 1wbq s LEU 258 Cb -0.16 -2.07 0.03 0.00 -0.43 0.00 0.00 46.19 43.56 1wbq s LEU 258 CO 0.05 -0.06 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.35 1wbq s ILE 259 N 1.72 2.71 -0.29 6.68 1.01 0.20 -0.97 121.20 132.26 1wbq s ILE 259 Ca 0.07 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 1wbq s ILE 259 Cb -0.16 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.92 1wbq s ILE 259 CO 0.09 0.15 0.02 -0.62 0.00 0.00 0.00 174.94 174.58 1wbq s ASP 260 N 1.28 4.84 -0.09 3.58 -1.08 -0.45 -1.33 116.67 123.42 1wbq s ASP 260 Ca -0.02 -0.97 -0.16 0.00 -0.52 0.00 0.00 52.55 50.88 1wbq s ASP 260 Cb -0.17 -1.77 0.04 0.00 -1.46 0.00 0.00 42.92 39.56 1wbq s ASP 260 CO -0.05 -0.21 0.41 0.00 0.52 0.00 0.00 175.17 175.84 1wbq s ALA 261 N 1.37 -1.02 -0.14 3.66 0.00 -0.02 -1.13 121.76 124.48 1wbq s ALA 261 Ca -0.01 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 1wbq s ALA 261 Cb -0.18 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.65 1wbq s ALA 261 CO -0.01 -0.24 0.40 0.20 0.00 0.00 0.00 175.76 176.12 1wbq s GLY 262 N -0.52 -0.30 0.56 0.00 0.00 -1.26 -2.22 107.32 103.59 1wbq s GLY 262 Ca -0.06 1.07 -0.06 0.00 0.00 0.00 0.00 44.72 45.66 1wbq s GLY 262 CO 0.03 0.90 0.87 0.00 0.00 0.00 0.00 173.10 174.90 1wbq s GLU 264 N -4.92 2.84 -0.17 0.00 2.12 -0.26 -0.95 118.70 117.36 1wbq s GLU 264 Ca 0.52 -1.00 0.01 0.00 0.36 0.00 0.00 54.97 54.86 1wbq s GLU 264 Cb -0.10 -3.19 0.03 0.00 0.26 0.00 0.00 34.13 31.12 1wbq s GLU 264 CO 0.46 -0.47 -0.15 -0.47 -0.54 0.00 0.00 175.26 174.09 1wbq s TYR 265 N 1.38 2.43 -1.30 5.30 5.04 0.02 -4.35 117.35 125.87 1wbq s TYR 265 Ca -0.00 -1.47 -0.08 0.00 -2.44 0.00 0.00 57.07 53.09 1wbq s TYR 265 Cb -0.18 -1.70 0.05 0.00 0.35 0.00 0.00 41.96 40.48 1wbq s TYR 265 CO -0.01 -0.73 0.46 1.63 -1.34 0.00 0.00 175.55 175.56 1wbq n LYS 266 N 4.70 -3.54 0.00 4.97 4.76 -1.26 -0.93 118.16 126.85 1wbq n LYS 266 Ca -0.17 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1wbq n LYS 266 Cb 0.49 -5.29 0.00 0.00 -1.84 0.00 0.00 35.03 28.39 1wbq n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wbq n GLY 267 N -1.20 2.32 3.88 0.72 0.00 -1.26 -5.01 105.19 104.63 1wbq n GLY 267 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1wbq n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wbq s TYR 268 N -2.27 3.60 -0.14 1.61 1.51 -0.11 -4.38 117.35 117.18 1wbq s TYR 268 Ca 0.00 0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 56.54 1wbq s TYR 268 Cb 0.00 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1wbq s TYR 268 CO 0.00 0.64 0.36 0.00 -1.11 0.00 0.00 175.55 175.44 1wbq s ALA 269 N -1.22 3.55 0.45 3.71 0.00 -0.08 -0.80 121.76 127.38 1wbq s ALA 269 Ca 0.25 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.78 1wbq s ALA 269 Cb -0.13 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1wbq s ALA 269 CO 0.13 0.07 0.79 0.20 0.00 0.00 0.00 175.76 176.95 1wbq s GLY 270 N 0.49 1.72 -0.40 0.00 0.00 -0.12 -4.69 107.32 104.31 1wbq s GLY 270 Ca 0.20 -0.34 0.07 0.00 0.00 0.00 0.00 44.72 44.65 1wbq s GLY 270 CO 0.06 -0.16 0.60 -0.35 0.00 0.00 0.00 173.10 173.25 1wbq s ASP 271 N -3.67 -1.21 -0.03 1.64 2.15 -1.26 -3.97 116.67 110.32 1wbq s ASP 271 Ca 0.50 -0.83 0.07 0.00 0.43 0.00 0.00 52.55 52.72 1wbq s ASP 271 Cb -0.10 1.80 -0.02 0.00 -0.30 0.00 0.00 42.92 44.29 1wbq s ASP 271 CO 0.39 -0.19 -0.23 -0.63 -0.17 0.00 0.00 175.17 174.34 1wbq s ILE 272 N 1.85 2.29 -0.08 4.11 1.01 -0.94 -4.50 121.20 124.94 1wbq s ILE 272 Ca 0.16 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1wbq s ILE 272 Cb -0.06 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1wbq s ILE 272 CO -0.08 0.58 -0.21 -0.89 0.00 0.00 0.00 174.94 174.35 1wbq s THR 273 N -0.63 1.80 -0.00 2.92 2.01 -1.10 -0.84 115.64 119.79 1wbq s THR 273 Ca 0.10 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.26 1wbq s THR 273 Cb -0.10 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 1wbq s THR 273 CO -0.01 0.50 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.17 1wbq s ARG 274 N 0.32 1.04 -0.06 4.92 1.81 -0.44 -1.30 118.95 125.25 1wbq s ARG 274 Ca -0.15 -0.50 0.05 0.00 -1.72 0.00 0.00 55.73 53.41 1wbq s ARG 274 Cb -0.16 -1.01 -0.02 0.00 -0.45 0.00 0.00 34.95 33.31 1wbq s ARG 274 CO 0.07 0.27 -0.21 0.99 -0.68 0.00 0.00 175.30 175.74 1wbq s THR 275 N -0.38 2.45 0.15 0.02 2.01 -1.22 -0.63 115.64 118.04 1wbq s THR 275 Ca 0.05 -0.93 -0.19 0.00 0.31 0.00 0.00 61.69 60.92 1wbq s THR 275 Cb -0.05 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.58 1wbq s THR 275 CO -0.00 0.57 0.51 0.72 -0.69 0.00 0.00 174.62 175.73 1wbq s PHE 276 N -0.31 -0.34 0.13 4.92 -0.71 -0.72 -4.97 117.98 115.99 1wbq s PHE 276 Ca 0.01 0.06 -0.30 0.00 -1.04 0.00 0.00 56.93 55.66 1wbq s PHE 276 Cb -0.13 0.41 -0.07 0.00 -1.21 0.00 0.00 43.02 42.03 1wbq s PHE 276 CO 0.02 -0.80 1.11 -1.25 -1.34 0.00 0.00 175.22 172.97 1wbq s PRO 277 N -3.79 4.55 0.36 1.99 0.04 -1.26 -0.39 135.00 136.49 1wbq s PRO 277 Ca 0.03 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.84 1wbq s PRO 277 Cb 0.00 -3.31 0.76 0.00 0.04 0.00 0.00 34.50 31.99 1wbq s PRO 277 CO -0.11 -0.02 1.94 0.28 0.04 0.00 0.00 177.00 179.13 1wbq h VAL 278 N 4.02 0.98 -0.49 -0.36 2.07 -1.47 -1.87 116.25 119.13 1wbq h VAL 278 Ca -0.43 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1wbq h VAL 278 Cb 1.21 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1wbq h VAL 278 CO 0.75 0.13 0.00 -0.46 0.02 0.00 0.00 177.57 178.01 1wbq n ASN 279 N -4.49 2.77 0.00 0.57 0.23 -1.26 -4.18 115.26 108.90 1wbq n ASN 279 Ca 0.12 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1wbq n ASN 279 Cb 0.28 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1wbq n ASN 279 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wbq n GLY 280 N 1.24 0.94 2.66 4.83 0.00 -0.70 -5.00 105.19 109.15 1wbq n GLY 280 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1wbq n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wbq s LYS 281 N -0.01 0.06 0.29 1.61 2.47 -1.26 -4.52 119.74 118.38 1wbq s LYS 281 Ca 0.00 0.15 -0.30 0.00 -1.56 0.00 0.00 55.97 54.26 1wbq s LYS 281 Cb 0.00 -1.12 -0.11 0.00 -1.46 0.00 0.00 37.83 35.15 1wbq s LYS 281 CO 0.00 -0.47 1.51 -0.06 0.16 0.00 0.00 175.35 176.49 1wbq s PHE 282 N 2.13 2.84 0.84 4.03 0.08 -1.26 -4.87 117.98 121.76 1wbq s PHE 282 Ca 0.04 0.95 -0.12 0.00 0.12 0.00 0.00 56.93 57.92 1wbq s PHE 282 Cb -0.14 -3.96 0.09 0.00 -0.57 0.00 0.00 43.02 38.45 1wbq s PHE 282 CO -0.06 -3.10 1.14 0.95 -0.10 0.00 0.00 175.22 174.05 1wbq s THR 283 N -0.22 2.35 0.17 0.64 -4.23 -1.26 -4.85 115.64 108.23 1wbq s THR 283 Ca 0.60 0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 61.07 1wbq s THR 283 Cb -0.45 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 70.47 1wbq s THR 283 CO 0.49 -0.15 1.80 -0.61 -0.54 0.00 0.00 174.62 175.60 1wbq h GLN 284 N -1.19 0.49 -0.45 3.99 4.15 -1.98 0.03 115.11 120.14 1wbq h GLN 284 Ca -0.48 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 58.89 1wbq h GLN 284 Cb 1.31 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 1wbq h GLN 284 CO 0.63 0.32 0.18 0.00 -1.93 0.00 0.00 178.83 178.03 1wbq h ALA 285 N 1.22 0.59 -0.11 3.38 0.00 -1.94 -0.11 119.26 122.30 1wbq h ALA 285 Ca 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wbq h ALA 285 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1wbq h ALA 285 CO -0.11 0.20 0.06 1.96 0.00 0.00 0.00 179.25 181.36 1wbq h GLN 286 N 0.59 0.15 -1.01 0.00 4.20 -1.83 -2.87 115.11 114.35 1wbq h GLN 286 Ca 0.15 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.92 1wbq h GLN 286 Cb 0.20 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 1wbq h GLN 286 CO -0.01 0.19 0.65 -0.09 -0.67 0.00 0.00 178.83 178.90 1wbq h ARG 287 N 0.08 1.11 -0.86 1.46 9.65 -0.80 0.92 114.38 125.94 1wbq h ARG 287 Ca 0.04 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1wbq h ARG 287 Cb 0.08 -0.25 -0.04 0.00 -1.39 0.00 0.00 29.97 28.37 1wbq h ARG 287 CO -0.01 0.74 0.46 0.93 2.80 0.00 0.00 179.97 184.89 1wbq h GLU 288 N 1.15 1.21 0.08 0.20 5.08 -0.80 0.46 114.58 121.95 1wbq h GLU 288 Ca 0.45 -0.15 -0.27 0.00 -1.00 0.00 0.00 59.36 58.39 1wbq h GLU 288 Cb 0.23 -0.23 0.03 0.00 0.50 0.00 0.00 28.75 29.27 1wbq h GLU 288 CO -0.19 0.90 -1.10 0.82 -1.00 0.00 0.00 179.01 178.44 1wbq h ILE 289 N 1.21 1.31 -0.52 3.13 1.08 -1.33 -3.31 117.51 119.07 1wbq h ILE 289 Ca 0.30 -2.36 0.04 0.00 -0.39 0.00 0.00 64.86 62.45 1wbq h ILE 289 Cb 0.05 2.63 -0.04 0.00 -3.07 0.00 0.00 36.82 36.39 1wbq h ILE 289 CO -0.05 0.72 0.27 0.22 -0.69 0.00 0.00 178.15 178.62 1wbq h TYR 290 N 0.23 0.51 -0.73 1.37 3.20 -0.37 -2.46 116.97 118.71 1wbq h TYR 290 Ca -0.16 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.78 1wbq h TYR 290 Cb 1.78 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.85 1wbq h TYR 290 CO 0.12 0.25 0.48 -0.44 -1.64 0.00 0.00 178.16 176.94 1wbq h ASP 291 N 0.53 0.73 -0.33 -2.11 3.32 -1.03 0.15 116.42 117.67 1wbq h ASP 291 Ca 0.23 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1wbq h ASP 291 Cb 0.12 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1wbq h ASP 291 CO -0.15 0.49 0.04 0.40 -1.72 0.00 0.00 179.24 178.30 1wbq h ILE 292 N 0.84 1.24 -0.66 0.35 2.04 -1.54 0.12 117.51 119.90 1wbq h ILE 292 Ca 0.30 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 1wbq h ILE 292 Cb 0.14 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1wbq h ILE 292 CO -0.09 0.28 0.10 0.58 0.00 0.00 0.00 178.15 179.02 1wbq h VAL 293 N 0.38 1.26 -0.33 1.67 2.07 -1.13 -2.07 116.25 118.11 1wbq h VAL 293 Ca 0.10 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1wbq h VAL 293 Cb 0.38 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1wbq h VAL 293 CO 0.01 0.39 -0.17 0.25 0.02 0.00 0.00 177.57 178.07 1wbq h LEU 294 N 1.02 0.72 -0.77 2.57 5.85 -0.84 -1.48 115.31 122.38 1wbq h LEU 294 Ca 0.20 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1wbq h LEU 294 Cb 0.45 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1wbq h LEU 294 CO 0.01 0.97 0.48 -0.08 -0.34 0.00 0.00 178.44 179.49 1wbq h GLU 295 N 0.47 0.91 -0.53 1.25 4.81 -0.93 0.47 114.58 121.04 1wbq h GLU 295 Ca 0.07 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1wbq h GLU 295 Cb 0.71 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1wbq h GLU 295 CO 0.05 0.60 0.28 0.77 -0.73 0.00 0.00 179.01 179.99 1wbq h SER 296 N 0.94 0.42 -0.07 1.04 0.02 -1.14 0.22 113.55 114.97 1wbq h SER 296 Ca 0.31 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1wbq h SER 296 Cb 0.02 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1wbq h SER 296 CO -0.12 0.29 0.00 0.25 -1.14 0.00 0.00 176.83 176.12 1wbq h LEU 297 N 0.55 0.13 -0.71 5.07 5.85 -0.75 -1.82 115.31 123.63 1wbq h LEU 297 Ca 0.23 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1wbq h LEU 297 Cb 0.11 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1wbq h LEU 297 CO -0.14 0.40 0.31 -0.33 -0.34 0.00 0.00 178.44 178.34 1wbq h GLU 298 N -0.15 1.04 -0.28 1.25 5.08 -0.73 0.79 114.58 121.58 1wbq h GLU 298 Ca 0.02 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1wbq h GLU 298 Cb 0.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1wbq h GLU 298 CO 0.00 0.84 0.06 1.15 -1.00 0.00 0.00 179.01 180.06 1wbq h THR 299 N 1.00 1.22 -0.90 1.13 2.02 -1.01 -2.16 112.91 114.20 1wbq h THR 299 Ca 0.24 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.74 1wbq h THR 299 Cb 0.16 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.67 1wbq h THR 299 CO -0.03 0.24 0.57 0.28 0.37 0.00 0.00 175.52 176.95 1wbq h SER 300 N 0.29 0.91 -0.37 4.18 0.02 -0.87 -1.00 113.55 116.72 1wbq h SER 300 Ca 0.09 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1wbq h SER 300 Cb 0.30 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1wbq h SER 300 CO 0.00 0.60 0.07 -0.07 -1.14 0.00 0.00 176.83 176.28 1wbq h LEU 301 N 1.06 0.65 -0.52 5.07 3.38 -0.70 -0.46 115.31 123.79 1wbq h LEU 301 Ca 0.38 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1wbq h LEU 301 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1wbq h LEU 301 CO -0.16 0.68 -0.13 0.03 0.09 0.00 0.00 178.44 178.96 1wbq h ARG 302 N 0.67 1.01 0.15 1.13 3.08 -0.87 -3.35 114.38 116.19 1wbq h ARG 302 Ca 0.15 -0.39 -0.31 0.00 0.07 0.00 0.00 59.98 59.50 1wbq h ARG 302 Cb 0.32 -0.06 0.03 0.00 0.08 0.00 0.00 29.97 30.34 1wbq h ARG 302 CO 0.00 1.07 -1.29 -0.07 -1.07 0.00 0.00 179.97 178.61 1wbq h LEU 303 N 0.87 0.83 -9.65 3.04 3.38 -0.69 -3.46 115.31 109.64 1wbq h LEU 303 Ca 0.13 -0.80 -0.52 0.00 0.09 0.00 0.00 57.88 56.78 1wbq h LEU 303 Cb 0.70 -0.26 0.06 0.00 0.09 0.00 0.00 40.66 41.24 1wbq h LEU 303 CO 0.05 1.61 1.03 -0.31 0.09 0.00 0.00 178.44 180.91 1wbq s TYR 304 N -2.88 2.83 -0.06 1.13 2.02 -0.23 -4.92 117.35 115.23 1wbq s TYR 304 Ca -0.09 0.30 -0.32 0.00 -0.37 0.00 0.00 57.07 56.59 1wbq s TYR 304 Cb 0.05 -4.15 0.12 0.00 -0.40 0.00 0.00 41.96 37.59 1wbq s TYR 304 CO 0.93 -4.40 1.24 -0.98 -1.57 0.00 0.00 175.55 170.77 1wbq s ARG 305 N 1.32 0.41 0.37 -0.62 1.70 -1.26 -3.76 118.95 117.12 1wbq s ARG 305 Ca 0.76 -0.21 -0.28 0.00 -0.47 0.00 0.00 55.73 55.53 1wbq s ARG 305 Cb -0.50 0.15 -0.11 0.00 -0.57 0.00 0.00 34.95 33.93 1wbq s ARG 305 CO 0.32 -0.19 1.50 -2.14 -1.08 0.00 0.00 175.30 173.72 1wbq s PRO 306 N -2.48 4.11 0.00 3.89 0.02 -1.26 -3.14 135.00 136.14 1wbq s PRO 306 Ca 0.12 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1wbq s PRO 306 Cb 0.03 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.57 1wbq s PRO 306 CO -0.04 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1wbq n GLY 307 N 0.64 3.00 0.19 0.52 0.00 -0.83 -4.96 105.19 103.75 1wbq n GLY 307 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1wbq n GLY 307 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wbq n THR 308 N -1.18 0.00 -4.03 2.61 5.66 -1.19 -4.77 114.28 111.38 1wbq n THR 308 Ca 0.00 -0.09 -0.10 0.00 -3.05 0.00 0.00 64.05 60.82 1wbq n THR 308 Cb 0.00 -1.17 -0.08 0.00 -1.55 0.00 0.00 70.33 67.53 1wbq n THR 308 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wbq s SER 309 N -1.19 0.09 0.21 1.09 1.04 -1.26 -0.90 113.70 112.78 1wbq s SER 309 Ca 0.03 -1.01 -0.10 0.00 0.48 0.00 0.00 55.95 55.36 1wbq s SER 309 Cb -0.00 0.42 0.16 0.00 0.10 0.00 0.00 66.02 66.70 1wbq s SER 309 CO 0.02 -0.89 1.86 0.40 0.98 0.00 0.00 173.24 175.61 1wbq h ILE 310 N 2.58 1.22 -0.27 -1.02 2.04 -1.77 -1.66 117.51 118.63 1wbq h ILE 310 Ca -0.32 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.11 1wbq h ILE 310 Cb 1.23 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1wbq h ILE 310 CO 0.49 0.23 0.02 0.25 0.00 0.00 0.00 178.15 179.14 1wbq h LEU 311 N 1.07 -0.06 -0.23 1.44 5.85 -1.47 0.16 115.31 122.07 1wbq h LEU 311 Ca 0.28 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1wbq h LEU 311 Cb -0.05 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1wbq h LEU 311 CO -0.05 0.00 0.08 -0.08 -0.34 0.00 0.00 178.44 178.05 1wbq h GLU 312 N 0.11 0.36 -0.49 1.25 4.81 -1.77 -2.28 114.58 116.57 1wbq h GLU 312 Ca 0.13 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1wbq h GLU 312 Cb 0.15 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1wbq h GLU 312 CO -0.19 0.43 -0.08 0.28 -0.73 0.00 0.00 179.01 178.71 1wbq h VAL 313 N 0.21 1.26 -1.00 0.32 2.07 -1.22 -2.53 116.25 115.37 1wbq h VAL 313 Ca 0.08 -1.17 0.12 0.00 0.82 0.00 0.00 66.70 66.54 1wbq h VAL 313 Cb 0.22 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1wbq h VAL 313 CO -0.00 0.41 0.62 0.74 0.02 0.00 0.00 177.57 179.36 1wbq h THR 314 N 0.79 0.93 -0.96 2.57 2.02 -0.72 -1.97 112.91 115.57 1wbq h THR 314 Ca 0.13 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1wbq h THR 314 Cb 0.59 -0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 1wbq h THR 314 CO 0.04 0.18 0.63 1.23 0.37 0.00 0.00 175.52 177.97 1wbq h GLY 315 N 0.99 1.36 1.01 2.16 0.00 -0.96 -0.51 103.07 107.12 1wbq h GLY 315 Ca 0.49 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1wbq h GLY 315 CO -0.26 0.50 0.06 0.83 0.00 0.00 0.00 176.54 177.68 1wbq h GLU 316 N 1.31 0.90 -0.65 4.80 4.39 -1.34 -2.82 114.58 121.17 1wbq h GLU 316 Ca 0.35 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1wbq h GLU 316 Cb -0.14 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.38 1wbq h GLU 316 CO -0.07 0.89 0.24 0.28 -1.16 0.00 0.00 179.01 179.18 1wbq h VAL 317 N 0.78 1.24 -0.70 3.13 2.07 -0.78 -1.99 116.25 120.00 1wbq h VAL 317 Ca 0.16 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.94 1wbq h VAL 317 Cb 0.44 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1wbq h VAL 317 CO 0.01 0.30 0.43 0.58 0.02 0.00 0.00 177.57 178.91 1wbq h VAL 318 N 0.92 1.06 -0.42 2.57 2.07 -1.11 0.57 116.25 121.90 1wbq h VAL 318 Ca 0.21 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1wbq h VAL 318 Cb 0.23 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1wbq h VAL 318 CO -0.01 0.15 0.22 -0.09 0.02 0.00 0.00 177.57 177.85 1wbq h ARG 319 N 0.81 0.59 -0.60 1.57 2.43 -1.23 0.88 114.38 118.84 1wbq h ARG 319 Ca 0.29 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1wbq h ARG 319 Cb 0.08 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1wbq h ARG 319 CO -0.13 0.49 0.35 0.82 -1.51 0.00 0.00 179.97 179.99 1wbq h ILE 320 N 0.54 1.04 -0.02 1.20 2.04 -0.92 -1.14 117.51 120.24 1wbq h ILE 320 Ca 0.15 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1wbq h ILE 320 Cb 0.08 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1wbq h ILE 320 CO -0.02 0.13 -0.00 0.24 0.00 0.00 0.00 178.15 178.49 1wbq h MET 321 N 0.69 0.04 -0.37 2.37 2.86 -0.56 -1.48 114.93 118.49 1wbq h MET 321 Ca 0.25 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1wbq h MET 321 Cb 0.06 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1wbq h MET 321 CO -0.12 0.36 0.21 0.28 1.06 0.00 0.00 176.91 178.70 1wbq h VAL 322 N -0.27 1.14 -0.22 -2.22 2.07 -0.79 0.18 116.25 116.13 1wbq h VAL 322 Ca 0.01 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1wbq h VAL 322 Cb 0.34 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1wbq h VAL 322 CO 0.00 0.14 0.03 0.28 0.02 0.00 0.00 177.57 178.04 1wbq h SER 323 N 0.48 -0.02 -0.56 0.57 0.02 -1.20 -0.60 113.55 112.23 1wbq h SER 323 Ca 0.13 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1wbq h SER 323 Cb 0.05 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1wbq h SER 323 CO -0.02 0.02 0.27 1.23 -1.14 0.00 0.00 176.83 177.19 1wbq h GLY 324 N 0.11 0.87 1.60 -3.77 0.00 -0.99 -1.65 103.07 99.23 1wbq h GLY 324 Ca 0.10 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1wbq h GLY 324 CO -0.15 0.41 -0.31 1.41 0.00 0.00 0.00 176.54 177.91 1wbq h LEU 325 N 0.76 0.47 -0.29 3.11 3.38 -0.70 -2.46 115.31 119.59 1wbq h LEU 325 Ca 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1wbq h LEU 325 Cb 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1wbq h LEU 325 CO -0.02 0.75 0.09 0.58 0.09 0.00 0.00 178.44 179.93 1wbq h VAL 326 N 0.40 1.20 -0.85 1.22 2.07 -0.89 0.26 116.25 119.65 1wbq h VAL 326 Ca 0.05 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.08 1wbq h VAL 326 Cb 0.74 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1wbq h VAL 326 CO 0.06 0.21 0.55 0.11 0.02 0.00 0.00 177.57 178.52 1wbq h LYS 327 N 0.30 0.62 -0.00 1.57 1.79 -1.00 -1.68 116.57 118.17 1wbq h LYS 327 Ca 0.09 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1wbq h LYS 327 Cb 0.24 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1wbq h LYS 327 CO -0.00 0.41 -0.23 1.28 -1.08 0.00 0.00 179.45 179.83 1wbq n LEU 328 N -4.54 0.47 -0.11 2.94 4.77 -0.95 -4.93 117.00 114.66 1wbq n LEU 328 Ca 0.16 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 56.19 1wbq n LEU 328 Cb 0.47 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1wbq n LEU 328 CO 0.30 0.10 -0.01 0.61 -1.33 0.00 0.00 177.39 177.06 1wbq n GLY 329 N 1.39 0.51 0.11 -0.72 0.00 -0.63 -4.92 105.19 100.94 1wbq n GLY 329 Ca 0.10 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 1wbq n GLY 329 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wbq h ILE 330 N 0.00 1.48 -2.99 -0.61 2.04 -1.20 -3.42 117.51 112.81 1wbq h ILE 330 Ca -0.03 -2.96 -0.63 0.00 1.00 0.00 0.00 64.86 62.24 1wbq h ILE 330 Cb 0.13 2.87 -0.15 0.00 -0.74 0.00 0.00 36.82 38.93 1wbq h ILE 330 CO 0.04 0.87 -0.74 -0.76 0.00 0.00 0.00 178.15 177.56 1wbq s LEU 331 N -7.25 2.87 -0.05 1.44 1.43 -0.92 -4.91 118.68 111.28 1wbq s LEU 331 Ca -0.04 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1wbq s LEU 331 Cb 0.07 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.76 1wbq s LEU 331 CO 0.88 0.10 -0.06 -0.54 0.23 0.00 0.00 176.35 176.97 1wbq s LYS 332 N -2.84 1.01 0.00 1.70 1.02 -1.26 -4.21 119.74 115.16 1wbq s LYS 332 Ca 0.24 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1wbq s LYS 332 Cb -0.08 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.24 1wbq s LYS 332 CO 0.14 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1wbq n GLY 333 N 4.12 0.88 3.71 -3.33 0.00 -1.26 -5.02 105.19 104.29 1wbq n GLY 333 Ca -0.23 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1wbq n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wbq s ASP 334 N -4.00 7.29 0.17 1.61 2.15 -1.26 -4.97 116.67 117.66 1wbq s ASP 334 Ca 0.00 1.56 -0.15 0.00 0.43 0.00 0.00 52.55 54.39 1wbq s ASP 334 Cb 0.00 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.18 1wbq s ASP 334 CO 0.00 -0.20 1.76 0.58 -0.17 0.00 0.00 175.17 177.14 1wbq h VAL 335 N 4.69 0.91 -0.69 1.11 2.07 -1.97 0.15 116.25 122.52 1wbq h VAL 335 Ca -0.41 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1wbq h VAL 335 Cb 1.21 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1wbq h VAL 335 CO 0.75 0.07 0.14 0.44 0.02 0.00 0.00 177.57 178.98 1wbq h ASP 336 N 0.36 1.08 -0.33 0.57 3.32 -1.98 0.11 116.42 119.54 1wbq h ASP 336 Ca 0.19 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1wbq h ASP 336 Cb 0.14 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1wbq h ASP 336 CO -0.17 1.05 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.99 1wbq h GLU 337 N 1.06 0.64 -0.57 3.56 5.08 -1.83 0.91 114.58 123.43 1wbq h GLU 337 Ca 0.21 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1wbq h GLU 337 Cb 0.41 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1wbq h GLU 337 CO 0.01 0.81 0.34 -0.07 -1.00 0.00 0.00 179.01 179.10 1wbq h LEU 338 N 0.42 0.55 -0.42 1.33 3.38 -0.53 -1.00 115.31 119.04 1wbq h LEU 338 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wbq h LEU 338 Cb 0.58 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1wbq h LEU 338 CO 0.03 0.39 0.28 0.40 0.09 0.00 0.00 178.44 179.62 1wbq h ILE 339 N 0.67 1.11 -0.43 1.22 2.04 -0.62 -0.73 117.51 120.77 1wbq h ILE 339 Ca 0.23 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1wbq h ILE 339 Cb 0.03 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1wbq h ILE 339 CO -0.10 0.10 0.29 0.00 0.00 0.00 0.00 178.15 178.44 1wbq h ALA 340 N 1.15 1.80 -0.53 1.87 0.00 -0.32 -1.52 119.26 121.71 1wbq h ALA 340 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wbq h ALA 340 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1wbq h ALA 340 CO -0.03 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1wbq n GLN 341 N -4.48 3.98 -4.12 0.00 10.64 -0.43 -4.95 117.38 118.03 1wbq n GLN 341 Ca 0.04 -2.64 -0.29 0.00 -1.83 0.00 0.00 57.00 52.28 1wbq n GLN 341 Cb 0.13 -2.03 -0.04 0.00 -0.86 0.00 0.00 30.24 27.44 1wbq n GLN 341 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1wbq n ASN 342 N 0.72 -0.61 0.18 2.61 3.02 -0.57 -4.85 115.26 115.76 1wbq n ASN 342 Ca 0.23 -1.08 0.14 0.00 -0.03 0.00 0.00 54.58 53.84 1wbq n ASN 342 Cb 0.96 -2.58 0.59 0.00 -0.61 0.00 0.00 39.78 38.14 1wbq n ASN 342 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wbq h ALA 343 N 0.84 1.00 0.00 5.41 0.00 -1.39 -1.88 119.26 123.23 1wbq h ALA 343 Ca -0.63 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1wbq h ALA 343 Cb 1.38 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1wbq h ALA 343 CO 0.69 0.00 -0.12 1.12 0.00 0.00 0.00 179.25 180.94 1wbq h HIS 344 N 0.00 0.00 -0.77 0.00 2.07 -1.89 -3.39 115.15 111.17 1wbq h HIS 344 Ca 0.00 0.00 0.17 0.00 -2.85 0.00 0.00 60.37 57.69 1wbq h HIS 344 Cb 0.31 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.19 1wbq h HIS 344 CO 0.00 0.12 0.25 0.00 -3.07 0.00 0.00 177.93 175.23 1wbq h ARG 345 N 0.00 0.33 -0.24 5.12 2.47 -1.52 0.15 114.38 120.69 1wbq h ARG 345 Ca -0.00 -0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.77 1wbq h ARG 345 Cb 0.72 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 1wbq h ARG 345 CO 0.02 0.22 0.38 -1.35 0.56 0.00 0.00 179.97 179.79 1wbq h PRO 346 N 0.34 0.00 0.00 0.04 0.11 -1.83 -2.94 132.00 127.73 1wbq h PRO 346 Ca 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.54 1wbq h PRO 346 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1wbq h PRO 346 CO -0.48 0.00 -1.64 1.19 -0.21 0.00 0.00 178.00 176.86 1wbq n PHE 347 N -3.44 0.00 -3.43 0.65 3.72 0.43 -4.84 117.46 110.55 1wbq n PHE 347 Ca 0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.22 1wbq n PHE 347 Cb 0.50 -0.33 -0.11 0.00 -0.94 0.00 0.00 39.48 38.61 1wbq n PHE 347 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1wbq s PHE 348 N -2.93 -0.03 -1.26 1.38 5.36 -0.65 -0.59 117.98 119.26 1wbq s PHE 348 Ca -0.05 -0.76 0.14 0.00 -0.96 0.00 0.00 56.93 55.30 1wbq s PHE 348 Cb 0.09 -0.63 -0.02 0.00 -0.34 0.00 0.00 43.02 42.12 1wbq s PHE 348 CO 0.57 -0.90 0.77 -1.33 -1.46 0.00 0.00 175.22 172.88 1wbq n MET 349 N 4.79 1.85 -4.22 10.12 2.81 -1.22 -4.30 117.12 126.94 1wbq n MET 349 Ca 0.03 -0.67 -0.27 0.00 -1.81 0.00 0.00 57.70 54.98 1wbq n MET 349 Cb 0.43 -1.22 -0.06 0.00 -0.71 0.00 0.00 33.22 31.66 1wbq n MET 349 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1wbq s HIS 350 N -1.82 2.26 0.62 2.03 -3.43 -1.26 -5.12 115.29 108.58 1wbq s HIS 350 Ca 0.11 -0.71 -0.15 0.00 -0.80 0.00 0.00 55.06 53.50 1wbq s HIS 350 Cb 0.12 -1.88 -0.02 0.00 -1.43 0.00 0.00 32.58 29.37 1wbq s HIS 350 CO 0.39 0.07 1.08 0.20 -2.00 0.00 0.00 174.74 174.48 1wbq s GLY 351 N -3.97 2.15 0.22 -1.38 0.00 -1.26 -4.97 107.32 98.11 1wbq s GLY 351 Ca 0.33 0.47 0.09 0.00 0.00 0.00 0.00 44.72 45.60 1wbq s GLY 351 CO 0.18 0.81 1.49 -2.00 0.00 0.00 0.00 173.10 173.58 1wbq h LEU 352 N 0.27 0.03 -7.40 0.66 5.85 -1.94 -3.46 115.31 109.32 1wbq h LEU 352 Ca -0.47 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.10 1wbq h LEU 352 Cb 1.23 -0.01 -0.24 0.00 0.37 0.00 0.00 40.66 42.02 1wbq h LEU 352 CO 0.56 0.77 -0.30 -0.44 -0.34 0.00 0.00 178.44 178.69 1wbq s SER 353 N -6.82 -0.33 0.11 1.25 0.01 -1.26 -0.73 113.70 105.93 1wbq s SER 353 Ca -0.01 0.58 0.04 0.00 1.31 0.00 0.00 55.95 57.87 1wbq s SER 353 Cb 0.12 0.63 -0.04 0.00 0.21 0.00 0.00 66.02 66.94 1wbq s SER 353 CO 0.79 -0.19 -0.10 -1.38 0.41 0.00 0.00 173.24 172.77 1wbq s HIS 354 N -0.12 1.12 0.73 2.43 -3.43 -1.26 -4.93 115.29 109.83 1wbq s HIS 354 Ca -0.03 -0.69 -0.15 0.00 -0.80 0.00 0.00 55.06 53.39 1wbq s HIS 354 Cb -0.03 -0.60 0.04 0.00 -1.43 0.00 0.00 32.58 30.56 1wbq s HIS 354 CO 0.01 0.02 1.23 -1.58 -2.00 0.00 0.00 174.74 172.42 1wbq s TRP 355 N -2.68 1.99 -0.01 0.38 0.23 -1.26 -0.94 118.94 116.64 1wbq s TRP 355 Ca 0.08 1.59 0.02 0.00 -2.03 0.00 0.00 56.10 55.77 1wbq s TRP 355 Cb -0.01 -3.53 -0.00 0.00 0.03 0.00 0.00 33.47 29.95 1wbq s TRP 355 CO 0.00 -2.76 -0.07 -1.17 0.96 0.00 0.00 176.95 173.92 1wbq s LEU 356 N -5.11 1.95 0.00 2.99 2.96 -0.26 -1.41 118.68 119.80 1wbq s LEU 356 Ca 0.76 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1wbq s LEU 356 Cb -0.31 -0.36 0.00 0.00 0.50 0.00 0.00 46.19 46.02 1wbq s LEU 356 CO 0.45 0.07 0.00 0.61 -1.32 0.00 0.00 176.35 176.16 1wbq n GLY 357 N 3.02 -0.02 0.28 7.98 0.00 -1.26 -4.61 105.19 110.57 1wbq n GLY 357 Ca -0.14 0.51 0.16 0.00 0.00 0.00 0.00 46.02 46.55 1wbq n GLY 357 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wbq h LEU 358 N 0.00 0.00 -8.91 0.99 3.38 -1.95 -0.19 115.31 108.63 1wbq h LEU 358 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1wbq h LEU 358 Cb 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.52 1wbq h LEU 358 CO 0.00 0.06 -0.84 -1.81 0.09 0.00 0.00 178.44 175.94 1wbq s ASP 359 N -5.78 3.52 0.11 -0.43 1.01 -1.26 -4.68 116.67 109.17 1wbq s ASP 359 Ca -0.01 -0.57 -0.16 0.00 0.71 0.00 0.00 52.55 52.52 1wbq s ASP 359 Cb 0.11 -0.42 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 1wbq s ASP 359 CO 0.54 0.23 1.60 1.62 0.21 0.00 0.00 175.17 179.37 1wbq h VAL 360 N 3.94 1.23 -3.24 -1.27 3.04 -1.85 -3.10 116.25 115.01 1wbq h VAL 360 Ca -0.48 -0.81 -0.76 0.00 -1.01 0.00 0.00 66.70 63.64 1wbq h VAL 360 Cb 1.16 1.09 -0.23 0.00 -2.01 0.00 0.00 31.29 31.30 1wbq h VAL 360 CO 0.44 0.27 0.45 -1.00 -1.01 0.00 0.00 177.57 176.72 1wbq s HIS 361 N -5.22 3.60 0.68 3.17 3.76 -1.26 -4.34 115.29 115.67 1wbq s HIS 361 Ca -0.13 -1.89 -0.11 0.00 -0.15 0.00 0.00 55.06 52.78 1wbq s HIS 361 Cb 0.09 -4.00 -0.00 0.00 1.11 0.00 0.00 32.58 29.78 1wbq s HIS 361 CO 0.76 -1.17 1.06 0.34 -0.85 0.00 0.00 174.74 174.88 1wbq s ASP 362 N 2.58 5.65 0.83 1.40 2.15 -0.50 -4.99 116.67 123.79 1wbq s ASP 362 Ca 0.26 1.45 -0.11 0.00 0.43 0.00 0.00 52.55 54.57 1wbq s ASP 362 Cb -0.08 -2.37 0.09 0.00 -0.30 0.00 0.00 42.92 40.26 1wbq s ASP 362 CO -0.08 -1.25 1.09 0.68 -0.17 0.00 0.00 175.17 175.44 1wbq s VAL 363 N -3.15 3.01 0.00 1.11 -7.23 -1.26 -4.65 120.40 108.23 1wbq s VAL 363 Ca 0.57 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 1wbq s VAL 363 Cb -0.12 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.99 1wbq s VAL 363 CO 0.54 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 1wbq n GLY 364 N -1.20 3.97 3.70 2.32 0.00 -1.26 -4.54 105.19 108.17 1wbq n GLY 364 Ca 0.08 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1wbq n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wbq s VAL 365 N -1.30 3.86 -0.18 1.61 1.01 -1.26 -4.93 120.40 119.20 1wbq s VAL 365 Ca 0.00 1.28 0.18 0.00 0.00 0.00 0.00 61.98 63.44 1wbq s VAL 365 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1wbq s VAL 365 CO 0.00 0.05 1.09 1.88 0.00 0.00 0.00 175.10 178.12 1wbq h TYR 366 N 7.27 0.00 0.00 5.22 0.05 -1.98 -3.48 116.97 124.06 1wbq h TYR 366 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.39 1wbq h TYR 366 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1wbq h TYR 366 CO 0.71 0.38 0.00 0.41 -1.05 0.00 0.00 178.16 178.61 1wbq n GLY 367 N 1.28 -2.22 3.70 3.88 0.00 -1.26 -1.68 105.19 108.89 1wbq n GLY 367 Ca -0.03 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1wbq n GLY 367 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wbq n GLN 368 N -2.15 2.60 -2.06 1.61 7.27 -1.26 -1.61 117.38 121.78 1wbq n GLN 368 Ca 0.00 0.94 -0.16 0.00 0.07 0.00 0.00 57.00 57.85 1wbq n GLN 368 Cb 0.00 -2.79 -0.03 0.00 2.41 0.00 0.00 30.24 29.83 1wbq n GLN 368 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1wbq n ASP 369 N 4.49 -4.62 -3.47 1.69 8.00 -1.26 -1.87 116.55 119.50 1wbq n ASP 369 Ca 0.17 0.21 -0.21 0.00 0.71 0.00 0.00 54.79 55.68 1wbq n ASP 369 Cb 0.34 -3.99 0.08 0.00 -0.02 0.00 0.00 41.12 37.53 1wbq n ASP 369 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wbq n ARG 370 N -2.58 -7.29 -0.01 -1.24 1.74 -0.64 -4.25 116.66 102.39 1wbq n ARG 370 Ca -0.18 0.82 0.13 0.00 -0.77 0.00 0.00 57.85 57.85 1wbq n ARG 370 Cb 0.60 -5.81 0.38 0.00 -1.02 0.00 0.00 32.46 26.62 1wbq n ARG 370 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wbq n SER 371 N -2.99 2.02 -4.74 0.55 3.41 -0.78 -1.58 113.62 109.51 1wbq n SER 371 Ca -0.11 -1.68 -0.42 0.00 -0.26 0.00 0.00 58.87 56.40 1wbq n SER 371 Cb 0.60 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1wbq n SER 371 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1wbq n ARG 372 N 0.58 2.61 -2.16 4.33 0.63 -0.67 -4.83 116.66 117.13 1wbq n ARG 372 Ca 0.17 0.92 -0.42 0.00 -0.92 0.00 0.00 57.85 57.61 1wbq n ARG 372 Cb 0.43 -2.68 -0.03 0.00 0.45 0.00 0.00 32.46 30.64 1wbq n ARG 372 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1wbq s ILE 373 N -0.23 3.15 0.36 5.15 -1.09 -1.26 -4.49 121.20 122.79 1wbq s ILE 373 Ca 0.62 0.90 -0.25 0.00 -2.23 0.00 0.00 60.65 59.69 1wbq s ILE 373 Cb -0.51 -3.57 -0.10 0.00 -1.58 0.00 0.00 42.46 36.70 1wbq s ILE 373 CO 0.52 0.11 0.98 -0.76 -1.23 0.00 0.00 174.94 174.55 1wbq s LEU 374 N 0.35 4.23 0.08 2.97 1.43 -0.08 -4.89 118.68 122.77 1wbq s LEU 374 Ca 0.60 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 55.59 1wbq s LEU 374 Cb -0.38 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1wbq s LEU 374 CO 0.36 -0.22 -0.06 -1.61 0.23 0.00 0.00 176.35 175.04 1wbq s GLU 375 N -2.33 0.72 0.31 1.70 2.02 -1.26 -1.97 118.70 117.89 1wbq s GLU 375 Ca 0.54 -1.16 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 1wbq s GLU 375 Cb -0.18 -0.18 -0.13 0.00 0.10 0.00 0.00 34.13 33.74 1wbq s GLU 375 CO 0.23 -0.01 1.28 -2.30 0.02 0.00 0.00 175.26 174.49 1wbq n PRO 376 N 0.39 2.00 0.00 0.39 -0.02 -1.26 -2.76 135.00 133.75 1wbq n PRO 376 Ca -0.15 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1wbq n PRO 376 Cb 0.59 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1wbq n PRO 376 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wbq n GLY 377 N 1.17 2.45 3.76 -1.23 0.00 -0.13 -4.90 105.19 106.32 1wbq n GLY 377 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1wbq n GLY 377 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wbq s MET 378 N -0.90 4.53 -0.07 1.61 -1.94 -1.11 -1.06 119.30 120.36 1wbq s MET 378 Ca 0.00 1.96 0.05 0.00 -1.71 0.00 0.00 55.69 55.98 1wbq s MET 378 Cb 0.00 -3.15 -0.00 0.00 2.01 0.00 0.00 34.83 33.69 1wbq s MET 378 CO 0.00 0.06 -0.21 0.08 -0.01 0.00 0.00 175.02 174.94 1wbq s VAL 379 N -1.13 1.82 0.17 -6.03 1.01 -1.26 -0.62 120.40 114.36 1wbq s VAL 379 Ca 0.46 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1wbq s VAL 379 Cb -0.35 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1wbq s VAL 379 CO 0.45 0.51 0.45 -1.48 0.00 0.00 0.00 175.10 175.03 1wbq s LEU 380 N 0.16 0.31 0.37 3.92 2.34 -0.56 -1.10 118.68 124.12 1wbq s LEU 380 Ca -0.11 -0.51 -0.00 0.00 0.06 0.00 0.00 54.13 53.57 1wbq s LEU 380 Cb -0.15 1.90 -0.03 0.00 -0.56 0.00 0.00 46.19 47.35 1wbq s LEU 380 CO 0.05 -0.98 0.58 0.42 -1.06 0.00 0.00 176.35 175.37 1wbq s THR 381 N -3.87 5.01 -0.17 5.48 -4.23 -0.12 -0.68 115.64 117.05 1wbq s THR 381 Ca 0.09 -0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.18 1wbq s THR 381 Cb 0.00 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 70.06 1wbq s THR 381 CO -0.05 -0.58 0.00 -0.69 -0.54 0.00 0.00 174.62 172.77 1wbq s VAL 382 N -2.38 0.72 -0.41 2.29 1.01 0.23 -4.03 120.40 117.83 1wbq s VAL 382 Ca 0.41 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1wbq s VAL 382 Cb -0.10 -1.08 0.28 0.00 0.00 0.00 0.00 36.38 35.48 1wbq s VAL 382 CO 0.37 -0.05 0.71 -1.84 0.00 0.00 0.00 175.10 174.29 1wbq n GLU 383 N 4.99 0.81 -1.93 2.72 0.28 0.09 -1.39 120.64 126.22 1wbq n GLU 383 Ca -0.10 -2.80 -0.36 0.00 -0.16 0.00 0.00 57.16 53.75 1wbq n GLU 383 Cb 0.47 -1.36 0.04 0.00 1.43 0.00 0.00 31.44 32.03 1wbq n GLU 383 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wbq s PRO 384 N -0.89 2.85 0.14 3.44 0.04 -1.24 -4.76 135.00 134.56 1wbq s PRO 384 Ca 0.34 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 63.07 1wbq s PRO 384 Cb 0.23 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.90 1wbq s PRO 384 CO -0.13 -1.31 0.42 0.20 0.04 0.00 0.00 177.00 176.23 1wbq s GLY 385 N -1.61 -0.27 -0.04 0.56 0.00 -1.26 -2.66 107.32 102.04 1wbq s GLY 385 Ca 0.78 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 45.47 1wbq s GLY 385 CO 0.35 -0.28 -0.07 1.08 0.00 0.00 0.00 173.10 174.18 1wbq s LEU 386 N -2.81 1.54 -0.19 0.66 1.43 0.20 -4.53 118.68 114.99 1wbq s LEU 386 Ca 0.04 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1wbq s LEU 386 Cb 0.01 -0.51 0.06 0.00 0.03 0.00 0.00 46.19 45.78 1wbq s LEU 386 CO -0.11 -0.00 0.02 -0.31 0.23 0.00 0.00 176.35 176.18 1wbq s TYR 387 N 0.62 1.19 -0.29 0.29 1.51 0.24 -0.84 117.35 120.06 1wbq s TYR 387 Ca -0.09 -0.93 -0.07 0.00 -1.01 0.00 0.00 57.07 54.97 1wbq s TYR 387 Cb -0.12 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1wbq s TYR 387 CO 0.01 -0.61 0.08 0.42 -1.11 0.00 0.00 175.55 174.34 1wbq s ILE 388 N 1.80 4.04 0.57 2.71 -1.09 0.61 -4.34 121.20 125.51 1wbq s ILE 388 Ca -0.01 -0.63 -0.20 0.00 -2.23 0.00 0.00 60.65 57.58 1wbq s ILE 388 Cb -0.17 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 1wbq s ILE 388 CO -0.08 0.10 1.25 0.00 -1.23 0.00 0.00 174.94 174.98 1wbq s ALA 389 N 1.52 2.63 0.55 9.38 0.00 -1.26 -0.42 121.76 134.16 1wbq s ALA 389 Ca 0.03 1.11 0.28 0.00 0.00 0.00 0.00 51.96 53.38 1wbq s ALA 389 Cb -0.17 -3.49 1.46 0.00 0.00 0.00 0.00 23.12 20.92 1wbq s ALA 389 CO 0.03 -1.22 1.95 -1.35 0.00 0.00 0.00 175.76 175.16 1wbq h PRO 390 N 1.11 0.00 -0.26 0.00 0.11 -1.91 -1.33 132.00 129.71 1wbq h PRO 390 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1wbq h PRO 390 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wbq h PRO 390 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1wbq n ASP 391 N -4.14 3.60 -4.77 -2.05 5.75 -1.26 -4.63 116.55 109.05 1wbq n ASP 391 Ca 0.11 -2.79 -0.41 0.00 -0.01 0.00 0.00 54.79 51.70 1wbq n ASP 391 Cb 0.71 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 1wbq n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wbq s ALA 392 N -2.42 3.52 -1.35 2.12 0.00 -0.51 -4.89 121.76 118.23 1wbq s ALA 392 Ca 0.37 1.35 -0.16 0.00 0.00 0.00 0.00 51.96 53.52 1wbq s ALA 392 Cb 0.29 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.96 1wbq s ALA 392 CO 0.10 -0.76 1.89 0.39 0.00 0.00 0.00 175.76 177.39 1wbq n GLU 393 N 0.73 3.10 -4.12 0.00 1.02 -1.26 -4.85 120.64 115.26 1wbq n GLU 393 Ca 0.00 -3.08 -0.11 0.00 -0.02 0.00 0.00 57.16 53.96 1wbq n GLU 393 Cb 0.41 -3.40 -0.08 0.00 -0.02 0.00 0.00 31.44 28.35 1wbq n GLU 393 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wbq s VAL 394 N 3.70 0.01 0.28 2.62 -7.23 -1.26 -5.05 120.40 113.47 1wbq s VAL 394 Ca 0.51 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 1wbq s VAL 394 Cb 0.07 -2.33 -0.14 0.00 0.56 0.00 0.00 36.38 34.54 1wbq s VAL 394 CO 0.02 -0.05 1.15 -2.65 -0.31 0.00 0.00 175.10 173.26 1wbq n PRO 395 N -0.29 1.58 -0.33 4.82 -0.02 -1.26 -4.83 135.00 134.67 1wbq n PRO 395 Ca -0.00 0.56 0.16 0.00 -2.02 0.00 0.00 63.50 62.19 1wbq n PRO 395 Cb 0.64 -2.03 0.39 0.00 -0.02 0.00 0.00 33.50 32.48 1wbq n PRO 395 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1wbq h GLU 396 N 2.64 0.62 0.00 -0.52 4.22 -1.99 -2.06 114.58 117.49 1wbq h GLU 396 Ca -0.42 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1wbq h GLU 396 Cb 1.32 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1wbq h GLU 396 CO 0.65 0.41 0.00 0.00 -2.18 0.00 0.00 179.01 177.89 1wbq n GLN 397 N -4.71 0.20 0.01 1.92 0.00 -1.26 -2.08 117.38 111.46 1wbq n GLN 397 Ca 0.23 0.47 0.11 0.00 0.00 0.00 0.00 57.00 57.81 1wbq n GLN 397 Cb 0.65 -1.91 0.00 0.00 0.00 0.00 0.00 30.24 28.99 1wbq n GLN 397 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1wbq n TYR 398 N -2.28 0.12 -2.27 2.61 4.01 -0.77 -4.80 117.16 113.78 1wbq n TYR 398 Ca 0.01 0.04 -0.41 0.00 -0.16 0.00 0.00 57.90 57.38 1wbq n TYR 398 Cb 0.20 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 1wbq n TYR 398 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1wbq s ARG 399 N -3.13 4.45 -0.49 -0.72 0.52 -0.88 -3.23 118.95 115.47 1wbq s ARG 399 Ca 0.05 2.03 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 1wbq s ARG 399 Cb 0.15 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1wbq s ARG 399 CO 0.81 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.44 1wbq n GLY 400 N 1.55 0.48 3.59 -3.53 0.00 0.44 -4.79 105.19 102.93 1wbq n GLY 400 Ca 0.02 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1wbq n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wbq s ILE 401 N -2.22 4.82 -0.18 -0.61 1.01 -1.00 -3.87 121.20 119.15 1wbq s ILE 401 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1wbq s ILE 401 Cb 0.00 -3.22 0.04 0.00 0.01 0.00 0.00 42.46 39.29 1wbq s ILE 401 CO 0.00 0.39 -0.09 -0.83 0.00 0.00 0.00 174.94 174.41 1wbq s GLY 402 N 0.94 1.12 -0.08 6.18 0.00 -1.26 -0.28 107.32 113.94 1wbq s GLY 402 Ca 0.05 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1wbq s GLY 402 CO 0.03 0.76 -0.09 -0.42 0.00 0.00 0.00 173.10 173.38 1wbq s ILE 403 N 1.50 1.00 0.00 0.90 1.01 -0.02 -4.69 121.20 120.91 1wbq s ILE 403 Ca 0.01 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1wbq s ILE 403 Cb -0.15 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 1wbq s ILE 403 CO -0.08 0.34 -0.06 -0.60 0.00 0.00 0.00 174.94 174.54 1wbq s ARG 404 N 1.11 0.43 -0.10 2.79 3.52 -1.26 -0.62 118.95 124.82 1wbq s ARG 404 Ca -0.06 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 1wbq s ARG 404 Cb -0.14 -0.38 0.02 0.00 -1.56 0.00 0.00 34.95 32.89 1wbq s ARG 404 CO -0.01 0.10 -0.08 0.42 -0.81 0.00 0.00 175.30 174.91 1wbq s ILE 405 N -0.36 1.00 -0.07 4.11 1.01 -1.09 -3.44 121.20 122.36 1wbq s ILE 405 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1wbq s ILE 405 Cb -0.03 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1wbq s ILE 405 CO -0.00 0.35 -0.07 -0.70 0.00 0.00 0.00 174.94 174.52 1wbq s GLU 406 N 1.47 1.24 0.26 2.79 2.12 -0.42 -3.70 118.70 122.47 1wbq s GLU 406 Ca 0.00 -0.21 0.11 0.00 0.36 0.00 0.00 54.97 55.23 1wbq s GLU 406 Cb -0.13 -1.20 -0.05 0.00 0.26 0.00 0.00 34.13 33.01 1wbq s GLU 406 CO -0.05 -0.11 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.91 1wbq s ASP 407 N 1.13 3.93 -0.15 -1.70 1.01 -0.49 -2.72 116.67 117.68 1wbq s ASP 407 Ca -0.07 -0.87 -0.02 0.00 0.71 0.00 0.00 52.55 52.30 1wbq s ASP 407 Cb -0.14 -0.50 -0.02 0.00 1.01 0.00 0.00 42.92 43.27 1wbq s ASP 407 CO -0.01 0.04 -0.08 -1.81 0.21 0.00 0.00 175.17 173.51 1wbq s ASP 408 N -3.47 4.37 0.18 0.27 1.01 -1.26 -0.60 116.67 117.17 1wbq s ASP 408 Ca 0.30 -0.24 0.07 0.00 0.71 0.00 0.00 52.55 53.38 1wbq s ASP 408 Cb -0.06 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 1wbq s ASP 408 CO 0.16 0.16 -0.14 0.27 0.21 0.00 0.00 175.17 175.83 1wbq s ILE 409 N 0.41 1.55 -0.07 0.77 -4.36 0.14 -0.43 121.20 119.21 1wbq s ILE 409 Ca -0.07 -2.09 0.06 0.00 -0.26 0.00 0.00 60.65 58.29 1wbq s ILE 409 Cb -0.15 -1.91 -0.01 0.00 1.25 0.00 0.00 42.46 41.64 1wbq s ILE 409 CO 0.04 -0.59 -0.24 0.54 0.24 0.00 0.00 174.94 174.93 1wbq s VAL 410 N -2.88 2.12 0.06 8.37 0.11 -0.28 -1.50 120.40 126.39 1wbq s VAL 410 Ca 0.19 -1.04 -0.30 0.00 -2.93 0.00 0.00 61.98 57.89 1wbq s VAL 410 Cb -0.01 -1.77 -0.05 0.00 -1.53 0.00 0.00 36.38 33.01 1wbq s VAL 410 CO 0.05 0.57 1.15 -0.63 -3.33 0.00 0.00 175.10 172.91 1wbq s ILE 411 N -0.10 4.17 0.52 7.04 -1.09 0.21 -0.62 121.20 131.33 1wbq s ILE 411 Ca -0.05 1.58 0.06 0.00 -2.23 0.00 0.00 60.65 60.00 1wbq s ILE 411 Cb -0.14 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1wbq s ILE 411 CO 0.04 0.13 0.41 0.42 -1.23 0.00 0.00 174.94 174.71 1wbq s THR 412 N 0.98 1.87 0.43 2.92 -4.23 -0.21 -0.95 115.64 116.45 1wbq s THR 412 Ca 0.57 -1.46 0.19 0.00 -1.18 0.00 0.00 61.69 59.81 1wbq s THR 412 Cb -0.28 -2.33 0.39 0.00 1.34 0.00 0.00 72.50 71.62 1wbq s THR 412 CO 0.29 0.00 1.87 -0.33 -0.54 0.00 0.00 174.62 175.91 1wbq h GLU 413 N 0.81 0.35 0.00 3.99 4.39 -1.96 -3.18 114.58 118.98 1wbq h GLU 413 Ca -0.37 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1wbq h GLU 413 Cb 1.29 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1wbq h GLU 413 CO 0.57 0.23 0.00 0.25 -1.16 0.00 0.00 179.01 178.90 1wbq n THR 414 N -4.48 0.00 0.00 1.13 -2.24 -1.26 -4.73 114.28 102.70 1wbq n THR 414 Ca 0.18 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1wbq n THR 414 Cb 0.69 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 1wbq n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbq n GLY 415 N 0.85 1.45 3.22 3.38 0.00 -1.20 -4.73 105.19 108.17 1wbq n GLY 415 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 1wbq n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wbq s ASN 416 N 2.00 0.02 -0.14 1.61 2.20 -1.25 -1.05 114.94 118.33 1wbq s ASN 416 Ca 0.00 -0.49 -0.01 0.00 -0.94 0.00 0.00 52.86 51.42 1wbq s ASN 416 Cb 0.00 0.35 -0.02 0.00 -2.00 0.00 0.00 41.25 39.59 1wbq s ASN 416 CO 0.00 -0.70 -0.10 -0.70 -2.94 0.00 0.00 177.10 172.65 1wbq s GLU 417 N -3.46 3.45 -0.32 3.55 2.12 0.20 -4.86 118.70 119.38 1wbq s GLU 417 Ca 0.02 -0.64 -0.23 0.00 0.36 0.00 0.00 54.97 54.47 1wbq s GLU 417 Cb 0.03 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.69 1wbq s GLU 417 CO -0.09 0.18 0.79 1.21 -0.54 0.00 0.00 175.26 176.81 1wbq s ASN 418 N 0.46 6.63 0.00 -1.70 3.84 -1.26 -1.13 114.94 121.78 1wbq s ASN 418 Ca -0.08 0.58 0.27 0.00 0.21 0.00 0.00 52.86 53.85 1wbq s ASN 418 Cb -0.15 -2.41 0.97 0.00 -0.55 0.00 0.00 41.25 39.11 1wbq s ASN 418 CO 0.04 -0.65 1.71 0.18 -2.79 0.00 0.00 177.10 175.59 1wbq n LEU 419 N 6.27 0.53 -0.23 3.21 4.77 0.42 -4.22 117.00 127.75 1wbq n LEU 419 Ca 0.04 0.02 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 1wbq n LEU 419 Cb 0.48 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1wbq n LEU 419 CO 0.51 0.11 0.40 0.35 -1.33 0.00 0.00 177.39 177.43 1wbq n THR 420 N -1.08 0.84 0.80 -5.08 -2.24 -1.25 -4.02 114.28 102.25 1wbq n THR 420 Ca 0.11 -0.99 0.10 0.00 -2.27 0.00 0.00 64.05 61.01 1wbq n THR 420 Cb 0.31 0.26 0.48 0.00 -2.10 0.00 0.00 70.33 69.28 1wbq n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wbq n ALA 421 N -0.61 2.01 0.88 6.98 0.00 -1.26 -3.26 120.51 125.24 1wbq n ALA 421 Ca 0.06 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1wbq n ALA 421 Cb 0.61 -1.35 0.48 0.00 0.00 0.00 0.00 19.45 19.20 1wbq n ALA 421 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wbq n SER 422 N -1.45 0.00 -4.60 0.00 3.41 -1.26 -4.50 113.62 105.22 1wbq n SER 422 Ca 0.06 0.13 -0.34 0.00 -0.26 0.00 0.00 58.87 58.46 1wbq n SER 422 Cb 0.23 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 1wbq n SER 422 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wbq s VAL 423 N -2.68 4.52 0.65 -3.33 0.11 -1.20 -4.90 120.40 113.57 1wbq s VAL 423 Ca 0.17 -0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 58.92 1wbq s VAL 423 Cb 0.13 -3.02 -0.00 0.00 -1.53 0.00 0.00 36.38 31.96 1wbq s VAL 423 CO 0.32 0.47 1.16 0.68 -3.33 0.00 0.00 175.10 174.40 1wbq s VAL 424 N 0.35 2.81 0.00 2.04 -7.23 -1.26 -4.97 120.40 112.14 1wbq s VAL 424 Ca 0.01 0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1wbq s VAL 424 Cb -0.13 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1wbq s VAL 424 CO 0.01 -0.18 0.00 2.29 -0.31 0.00 0.00 175.10 176.91 1wbq n LYS 425 N -2.17 4.95 -2.10 4.82 2.85 -1.26 -4.90 118.16 120.35 1wbq n LYS 425 Ca 0.12 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.97 1wbq n LYS 425 Cb 0.51 -0.51 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1wbq n LYS 425 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1wbq s LYS 426 N -0.20 4.31 0.26 -1.58 1.02 -1.26 -4.88 119.74 117.40 1wbq s LYS 426 Ca 0.00 2.18 -0.03 0.00 0.02 0.00 0.00 55.97 58.14 1wbq s LYS 426 Cb 0.00 -3.17 0.40 0.00 -0.52 0.00 0.00 37.83 34.54 1wbq s LYS 426 CO 0.00 -0.39 1.87 -1.00 -0.92 0.00 0.00 175.35 174.90 1wbq h PRO 427 N 5.78 1.06 -0.62 -1.68 0.13 -1.99 -0.79 132.00 133.88 1wbq h PRO 427 Ca -0.44 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1wbq h PRO 427 Cb 1.21 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1wbq h PRO 427 CO 0.81 0.70 0.32 0.93 -0.23 0.00 0.00 178.00 180.53 1wbq h GLU 428 N 1.09 0.87 -0.11 0.86 3.07 -2.00 -1.58 114.58 116.78 1wbq h GLU 428 Ca 0.42 -0.10 -0.18 0.00 -0.50 0.00 0.00 59.36 59.00 1wbq h GLU 428 Cb 0.21 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1wbq h GLU 428 CO -0.19 0.66 -0.68 0.93 -1.40 0.00 0.00 179.01 178.33 1wbq h GLU 429 N 0.87 0.46 -0.11 2.33 5.08 -1.57 -1.83 114.58 119.81 1wbq h GLU 429 Ca 0.22 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1wbq h GLU 429 Cb 0.06 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1wbq h GLU 429 CO -0.03 0.98 0.06 0.82 -1.00 0.00 0.00 179.01 179.84 1wbq h ILE 430 N 0.33 1.08 -0.38 3.13 2.04 -1.00 -1.06 117.51 121.64 1wbq h ILE 430 Ca -0.02 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1wbq h ILE 430 Cb 1.25 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1wbq h ILE 430 CO 0.12 0.08 0.24 -0.33 0.00 0.00 0.00 178.15 178.26 1wbq h GLU 431 N 0.09 0.48 -0.66 2.37 5.08 -1.23 -1.90 114.58 118.82 1wbq h GLU 431 Ca 0.04 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1wbq h GLU 431 Cb 0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1wbq h GLU 431 CO -0.01 0.32 0.24 0.00 -1.00 0.00 0.00 179.01 178.56 1wbq h ALA 432 N 1.15 1.18 -0.32 3.43 0.00 -1.27 0.16 119.26 123.60 1wbq h ALA 432 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wbq h ALA 432 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1wbq h ALA 432 CO -0.05 0.58 0.19 1.25 0.00 0.00 0.00 179.25 181.22 1wbq h LEU 433 N 0.96 0.39 -0.24 0.00 5.85 -0.86 -1.65 115.31 119.76 1wbq h LEU 433 Ca 0.22 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1wbq h LEU 433 Cb 0.22 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1wbq h LEU 433 CO -0.02 0.34 -0.12 0.24 -0.34 0.00 0.00 178.44 178.54 1wbq h MET 434 N 0.40 0.51 -0.51 1.25 2.86 -1.00 -2.26 114.93 116.20 1wbq h MET 434 Ca 0.11 -0.22 0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1wbq h MET 434 Cb 0.03 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 1wbq h MET 434 CO -0.02 0.78 0.15 0.28 1.06 0.00 0.00 176.91 179.16 1wbq h VAL 435 N 0.23 0.78 -0.74 -2.22 2.07 -0.94 -1.24 116.25 114.18 1wbq h VAL 435 Ca 0.05 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1wbq h VAL 435 Cb 0.62 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1wbq h VAL 435 CO 0.04 0.06 0.42 0.00 0.02 0.00 0.00 177.57 178.10 1wbq h ALA 436 N 1.36 0.95 -0.19 1.67 0.00 -1.20 -2.27 119.26 119.58 1wbq h ALA 436 Ca 0.25 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1wbq h ALA 436 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wbq h ALA 436 CO -0.28 0.46 -0.29 0.00 0.00 0.00 0.00 179.25 179.14 1wbq h ALA 437 N 1.21 1.15 0.00 0.00 0.00 -0.99 -2.86 119.26 117.78 1wbq h ALA 437 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wbq h ALA 437 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1wbq h ALA 437 CO -0.04 0.54 0.00 0.54 0.00 0.00 0.00 179.25 180.29 1wbq n ARG 438 N -4.11 0.18 0.00 0.00 1.74 -0.51 -5.05 116.66 108.91 1wbq n ARG 438 Ca -0.01 0.19 0.13 0.00 -0.77 0.00 0.00 57.85 57.39 1wbq n ARG 438 Cb 0.41 -1.72 0.76 0.00 -1.02 0.00 0.00 32.46 30.89 1wbq n ARG 438 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74