#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq s LEU 2 N 0.00 1.62 0.00 3.17 1.02 -1.26 -5.17 118.68 118.05 2roq s LEU 2 Ca 0.00 -0.76 -0.04 0.00 0.02 0.00 0.00 54.13 53.35 2roq s LEU 2 Cb 0.00 0.85 0.06 0.00 0.02 0.00 0.00 46.19 47.12 2roq s LEU 2 CO 0.00 -0.72 0.20 -0.81 0.02 0.00 0.00 176.35 175.05 2roq n PRO 3 N -0.04 -1.43 -3.53 1.29 -0.04 -1.26 -5.05 135.00 124.95 2roq n PRO 3 Ca -0.14 -0.33 -0.29 0.00 -0.04 0.00 0.00 63.50 62.71 2roq n PRO 3 Cb 0.62 -0.31 -0.03 0.00 -0.04 0.00 0.00 33.50 33.74 2roq n PRO 3 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2roq s GLU 4 N -3.47 3.59 -0.59 0.54 8.01 -1.26 -5.06 118.70 120.47 2roq s GLU 4 Ca 0.13 -0.14 -0.10 0.00 0.01 0.00 0.00 54.97 54.87 2roq s GLU 4 Cb -0.01 -2.75 0.15 0.00 -4.31 0.00 0.00 34.13 27.21 2roq s GLU 4 CO 0.10 0.32 0.48 -0.51 0.01 0.00 0.00 175.26 175.67 2roq s LEU 5 N -3.32 5.94 -1.10 1.80 1.43 -1.26 -4.99 118.68 117.19 2roq s LEU 5 Ca 0.41 -2.22 -0.06 0.00 -1.03 0.00 0.00 54.13 51.23 2roq s LEU 5 Cb -0.11 -2.06 0.30 0.00 0.03 0.00 0.00 46.19 44.35 2roq s LEU 5 CO 0.29 -0.64 1.37 0.29 0.23 0.00 0.00 176.35 177.89 2roq n LYS 6 N 4.52 4.17 -1.84 1.70 5.02 -1.26 -4.96 118.16 125.50 2roq n LYS 6 Ca -0.01 -4.51 0.00 0.00 -2.02 0.00 0.00 58.31 51.77 2roq n LYS 6 Cb 0.42 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2roq n ALA 7 N 1.82 0.00 -2.16 7.82 0.00 -1.26 -5.18 120.51 121.55 2roq n ALA 7 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2roq n ALA 7 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2roq n ALA 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2roq n GLN 8 N 0.00 0.97 -2.66 0.00 6.02 -1.26 -5.10 117.38 115.35 2roq n GLN 8 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2roq n GLN 8 Cb 0.00 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.35 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2roq n ALA 9 N -3.00 -3.61 0.58 -1.58 0.00 -1.26 -5.00 120.51 106.64 2roq n ALA 9 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.27 2roq n ALA 9 Cb 0.00 -3.37 0.33 0.00 0.00 0.00 0.00 19.45 16.41 2roq n ALA 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roq n PRO 10 N 1.12 0.09 0.00 0.00 -0.04 -1.26 -4.52 135.00 130.39 2roq n PRO 10 Ca -0.02 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2roq n PRO 10 Cb 0.73 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2roq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 11 N -0.03 0.00 3.20 0.55 0.00 -1.26 -4.84 105.19 102.80 2roq n GLY 11 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2roq n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2roq s ARG 12 N 0.00 0.98 0.24 1.61 1.70 -1.26 -4.08 118.95 118.14 2roq s ARG 12 Ca 0.00 -1.45 0.11 0.00 -0.47 0.00 0.00 55.73 53.92 2roq s ARG 12 Cb 0.00 -0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.17 2roq s ARG 12 CO 0.00 -0.11 -0.17 0.00 -1.08 0.00 0.00 175.30 173.94 2roq s ALA 13 N -3.71 2.77 0.00 7.88 0.00 -1.26 -3.96 121.76 123.49 2roq s ALA 13 Ca 0.20 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2roq s ALA 13 Cb 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2roq s ALA 13 CO 0.00 0.35 0.03 -0.35 0.00 0.00 0.00 175.76 175.79 2roq n PRO 14 N -0.29 0.00 0.00 0.00 -0.04 -1.26 -5.00 135.00 128.41 2roq n PRO 14 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2roq n PRO 14 Cb 0.58 -0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 2roq n PRO 14 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2roq n LYS 15 N -0.05 0.00 0.00 0.54 0.00 -1.26 -4.94 118.16 112.45 2roq n LYS 15 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 2roq n LYS 15 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2roq n ALA 16 N 0.00 4.17 -0.93 0.58 0.00 -1.26 -4.65 120.51 118.41 2roq n ALA 16 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 53.44 52.88 2roq n ALA 16 Cb 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 19.45 18.80 2roq n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2roq n GLY 17 N 1.40 -3.61 0.09 0.00 0.00 -1.26 -4.89 105.19 96.92 2roq n GLY 17 Ca 0.05 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 45.01 2roq n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2roq n SER 18 N -3.13 0.54 0.09 1.61 7.64 -1.26 -3.82 113.62 115.30 2roq n SER 18 Ca 0.01 -0.38 -0.22 0.00 1.01 0.00 0.00 58.87 59.30 2roq n SER 18 Cb 0.05 0.02 -0.15 0.00 -1.01 0.00 0.00 64.21 63.13 2roq n SER 18 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2roq h GLU 19 N 0.44 0.40 -0.22 1.43 5.08 -1.90 -3.35 114.58 116.46 2roq h GLU 19 Ca 0.00 -0.68 0.05 0.00 -1.00 0.00 0.00 59.36 57.73 2roq h GLU 19 Cb 0.46 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2roq h GLU 19 CO 0.00 1.30 -0.15 1.15 -1.00 0.00 0.00 179.01 180.31 2roq h THR 20 N 0.11 0.56 -0.38 1.13 2.02 -1.83 0.65 112.91 115.17 2roq h THR 20 Ca -0.28 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.01 2roq h THR 20 Cb 2.10 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 2roq h THR 20 CO 0.21 0.00 0.37 0.16 0.37 0.00 0.00 175.52 176.63 2roq h ILE 21 N -0.15 0.47 0.05 3.11 3.07 -1.74 -0.75 117.51 121.57 2roq h ILE 21 Ca 0.13 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.53 2roq h ILE 21 Cb 0.34 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 37.60 2roq h ILE 21 CO -0.31 0.00 -0.02 0.40 -1.05 0.00 0.00 178.15 177.17 2roq h ILE 22 N 0.00 1.32 -0.36 0.16 1.08 -1.02 -2.22 117.51 116.47 2roq h ILE 22 Ca 0.18 -1.50 -0.01 0.00 -0.39 0.00 0.00 64.86 63.14 2roq h ILE 22 Cb 0.92 2.27 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 2roq h ILE 22 CO -0.00 0.36 0.16 0.00 -0.69 0.00 0.00 178.15 177.98 2roq h ALA 23 N 0.09 1.61 -0.23 1.87 0.00 -0.68 -2.06 119.26 119.85 2roq h ALA 23 Ca -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2roq h ALA 23 Cb 0.64 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2roq h ALA 23 CO 0.01 0.32 -0.28 0.00 0.00 0.00 0.00 179.25 179.30 2roq h ALA 24 N 1.68 0.35 -0.35 0.00 0.00 -1.23 -2.16 119.26 117.55 2roq h ALA 24 Ca 0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2roq h ALA 24 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2roq h ALA 24 CO -0.02 0.35 0.10 0.00 0.00 0.00 0.00 179.25 179.68 2roq h ALA 25 N 0.66 1.52 0.42 0.00 0.00 -1.01 -0.28 119.26 120.56 2roq h ALA 25 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2roq h ALA 25 Cb 0.85 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2roq h ALA 25 CO 0.07 0.36 -0.20 0.74 0.00 0.00 0.00 179.25 180.22 2roq h PHE 26 N 0.50 -0.52 0.00 0.00 0.04 -1.31 -1.00 116.94 114.64 2roq h PHE 26 Ca 0.12 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.88 2roq h PHE 26 Cb 0.17 0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.50 2roq h PHE 26 CO 0.01 -0.32 0.01 0.66 -0.60 0.00 0.00 178.31 178.06 2roq h SER 27 N -1.11 0.00 0.67 2.17 4.64 -1.37 0.62 113.55 119.17 2roq h SER 27 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2roq h SER 27 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2roq h SER 27 CO 0.09 0.00 -1.15 -0.24 -0.87 0.00 0.00 176.83 174.66 2roq n SER 28 N -2.75 0.63 -0.03 4.97 2.88 -0.12 -0.59 113.62 118.61 2roq n SER 28 Ca -0.02 0.12 -0.03 0.00 -1.33 0.00 0.00 58.87 57.61 2roq n SER 28 Cb 0.07 0.78 -0.01 0.00 -0.75 0.00 0.00 64.21 64.30 2roq n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2roq n LEU 29 N -2.38 0.64 0.00 2.46 4.77 0.48 -4.92 117.00 118.06 2roq n LEU 29 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2roq n LEU 29 Cb 0.52 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2roq n LEU 29 CO 0.41 -0.45 -0.20 0.00 -1.33 0.00 0.00 177.39 175.82 2roq n LEU 30 N -3.12 0.00 -0.33 2.23 -0.00 -0.02 -4.82 117.00 110.94 2roq n LEU 30 Ca -0.04 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.11 2roq n LEU 30 Cb 0.14 0.00 0.33 0.00 -0.00 0.00 0.00 43.42 43.89 2roq n LEU 30 CO 0.06 0.00 1.12 1.23 -0.00 0.00 0.00 177.39 179.79 2roq h GLY 31 N 0.00 1.69 0.00 1.47 0.00 -0.12 -3.45 103.07 102.67 2roq h GLY 31 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2roq h GLY 31 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.34 2roq n ASP 33 N 2.75 0.81 -4.76 0.00 -0.08 -1.26 -4.73 116.55 109.28 2roq n ASP 33 Ca 0.00 -2.13 -0.39 0.00 -1.51 0.00 0.00 54.79 50.76 2roq n ASP 33 Cb 0.00 -0.21 0.02 0.00 2.34 0.00 0.00 41.12 43.27 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2roq s VAL 34 N -0.86 2.21 -0.02 5.18 1.01 -1.20 -4.92 120.40 121.79 2roq s VAL 34 Ca 0.09 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2roq s VAL 34 Cb 0.07 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.38 2roq s VAL 34 CO 0.01 0.02 1.04 1.67 0.00 0.00 0.00 175.10 177.83 2roq n GLN 35 N -0.35 0.10 -3.05 2.72 7.27 -1.26 -4.36 117.38 118.44 2roq n GLN 35 Ca 0.06 -1.01 -0.20 0.00 0.07 0.00 0.00 57.00 55.92 2roq n GLN 35 Cb 0.43 0.50 0.06 0.00 2.41 0.00 0.00 30.24 33.63 2roq n GLN 35 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2roq s ASP 36 N -1.01 5.12 0.00 1.69 1.01 -1.26 -4.07 116.67 118.16 2roq s ASP 36 Ca 0.01 -0.83 0.00 0.00 0.71 0.00 0.00 52.55 52.43 2roq s ASP 36 Cb 0.03 0.26 0.00 0.00 1.01 0.00 0.00 42.92 44.22 2roq s ASP 36 CO -0.01 -1.31 0.44 0.00 0.21 0.00 0.00 175.17 174.50 2roq n ALA 37 N -2.22 2.28 -2.27 5.23 0.00 -1.25 -4.59 120.51 117.68 2roq n ALA 37 Ca 0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 2roq n ALA 37 Cb 0.61 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.14 2roq n ALA 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2roq n ASP 38 N -0.04 2.16 -4.72 0.00 -0.08 -1.26 0.04 116.55 112.65 2roq n ASP 38 Ca 0.00 -2.84 -0.29 0.00 -1.51 0.00 0.00 54.79 50.15 2roq n ASP 38 Cb 0.02 -0.41 0.15 0.00 2.34 0.00 0.00 41.12 43.22 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roq s ALA 39 N -2.53 1.35 -0.20 -1.67 0.00 -1.26 -4.82 121.76 112.63 2roq s ALA 39 Ca 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2roq s ALA 39 Cb 0.37 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.39 2roq s ALA 39 CO -0.07 -2.53 -0.16 -0.51 0.00 0.00 0.00 175.76 172.49 2roq s ASP 40 N -3.57 3.47 0.00 0.00 1.01 -1.26 -3.91 116.67 112.40 2roq s ASP 40 Ca 0.64 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 53.21 2roq s ASP 40 Cb -0.17 -1.53 0.00 0.00 1.01 0.00 0.00 42.92 42.22 2roq s ASP 40 CO 0.56 -0.03 0.99 0.33 0.21 0.00 0.00 175.17 177.24 2roq n PHE 41 N 4.63 0.00 -0.17 4.23 -0.00 -1.26 0.58 117.46 125.47 2roq n PHE 41 Ca -0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.22 2roq n PHE 41 Cb 0.49 -0.49 0.03 0.00 -0.00 0.00 0.00 39.48 39.52 2roq n PHE 41 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2roq h PHE 42 N 0.00 -0.43 -0.10 -5.13 -5.15 -1.83 0.52 116.94 104.83 2roq h PHE 42 Ca 0.00 0.05 0.03 0.00 -0.20 0.00 0.00 57.97 57.85 2roq h PHE 42 Cb 0.00 0.27 -0.00 0.00 0.22 0.00 0.00 35.95 36.43 2roq h PHE 42 CO -0.40 -0.27 0.11 0.00 -2.00 0.00 0.00 178.31 175.75 2roq h ALA 43 N 1.38 1.66 -0.00 12.09 0.00 -1.83 0.28 119.26 132.83 2roq h ALA 43 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2roq h ALA 43 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2roq h ALA 43 CO -0.56 -0.16 -0.39 1.28 0.00 0.00 0.00 179.25 179.41 2roq n LEU 44 N -3.80 0.58 0.00 0.00 4.77 0.20 -4.89 117.00 113.85 2roq n LEU 44 Ca -0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2roq n LEU 44 Cb 0.21 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2roq n LEU 44 CO 0.27 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2roq n GLY 45 N 1.45 1.97 3.78 -0.72 0.00 0.95 -4.70 105.19 107.92 2roq n GLY 45 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2roq n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2roq s GLY 46 N -2.00 2.61 -0.31 -0.02 0.00 -0.19 -4.81 107.32 102.61 2roq s GLY 46 Ca 0.00 0.79 0.04 0.00 0.00 0.00 0.00 44.72 45.54 2roq s GLY 46 CO 0.00 1.14 1.37 1.57 0.00 0.00 0.00 173.10 177.17 2roq n HIS 47 N -1.24 -0.18 0.00 1.90 -0.00 -1.26 -4.66 115.22 109.77 2roq n HIS 47 Ca 0.11 -0.60 0.00 0.00 0.46 0.00 0.00 57.72 57.69 2roq n HIS 47 Cb 0.51 1.13 0.00 0.00 -0.12 0.00 0.00 29.99 31.52 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq n ALA 48 N 0.32 0.00 -0.09 1.57 0.00 -1.26 -4.28 120.51 116.77 2roq n ALA 48 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2roq n ALA 48 Cb 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.16 2roq n ALA 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2roq h LEU 49 N 0.00 -1.21 -0.89 0.00 3.38 -1.96 0.47 115.31 115.11 2roq h LEU 49 Ca 0.00 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.24 2roq h LEU 49 Cb 0.00 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 2roq h LEU 49 CO 0.00 -0.36 0.55 -0.07 0.09 0.00 0.00 178.44 178.65 2roq h LEU 50 N -0.33 0.84 -1.32 1.67 -0.00 -1.88 0.10 115.31 114.40 2roq h LEU 50 Ca 0.14 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 2roq h LEU 50 Cb 0.57 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2roq h LEU 50 CO -0.50 0.51 0.00 0.00 -0.00 0.00 0.00 178.44 178.45 2roq h ALA 51 N 1.44 1.00 0.09 1.53 0.00 -1.40 -2.19 119.26 119.73 2roq h ALA 51 Ca 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 2roq h ALA 51 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2roq h ALA 51 CO -0.20 0.00 -0.60 1.98 0.00 0.00 0.00 179.25 180.43 2roq h MET 52 N 0.00 0.19 -0.53 0.00 1.85 0.23 -2.16 114.93 114.51 2roq h MET 52 Ca 0.00 -0.32 -0.09 0.00 -0.61 0.00 0.00 59.70 58.69 2roq h MET 52 Cb 0.54 0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.67 2roq h MET 52 CO 0.00 1.15 -0.00 -0.22 -0.40 0.00 0.00 176.91 177.44 2roq h LYS 53 N -0.60 0.94 0.11 0.39 1.63 -1.15 -2.23 116.57 115.65 2roq h LYS 53 Ca -0.11 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.38 2roq h LYS 53 Cb 1.43 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2roq h LYS 53 CO 0.08 0.95 -0.05 1.25 -3.45 0.00 0.00 179.45 178.24 2roq h LEU 54 N 0.81 -0.12 -0.83 5.20 6.46 -1.53 -2.17 115.31 123.12 2roq h LEU 54 Ca 0.15 -0.37 0.16 0.00 -0.12 0.00 0.00 57.88 57.70 2roq h LEU 54 Cb 0.53 0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 40.39 2roq h LEU 54 CO 0.03 0.33 0.39 0.00 -0.62 0.00 0.00 178.44 178.57 2roq h ALA 55 N 0.20 1.25 -0.21 1.25 0.00 -1.41 0.31 119.26 120.66 2roq h ALA 55 Ca -0.01 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2roq h ALA 55 Cb 0.48 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2roq h ALA 55 CO 0.02 -0.18 -0.32 0.00 0.00 0.00 0.00 179.25 178.77 2roq h ALA 56 N 1.59 1.05 -0.15 0.00 0.00 -1.40 0.86 119.26 121.21 2roq h ALA 56 Ca 0.47 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2roq h ALA 56 Cb 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2roq h ALA 56 CO -0.41 0.58 -0.69 0.37 0.00 0.00 0.00 179.25 179.09 2roq h GLN 57 N 0.38 0.62 -0.01 0.00 4.15 -0.13 -2.25 115.11 117.88 2roq h GLN 57 Ca 0.05 -0.47 -0.09 0.00 0.77 0.00 0.00 58.65 58.91 2roq h GLN 57 Cb 0.75 0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.54 2roq h GLN 57 CO 0.06 1.09 -0.34 -0.07 -1.93 0.00 0.00 178.83 177.63 2roq h LEU 58 N 0.44 0.32 -1.61 -2.39 3.38 -0.38 -1.04 115.31 114.02 2roq h LEU 58 Ca -0.03 -0.76 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 2roq h LEU 58 Cb 1.28 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2roq h LEU 58 CO 0.13 1.03 0.20 0.77 0.09 0.00 0.00 178.44 180.66 2roq h SER 59 N -0.37 0.40 1.25 -0.43 4.64 -0.90 0.31 113.55 118.45 2roq h SER 59 Ca -0.04 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 2roq h SER 59 Cb 1.08 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2roq h SER 59 CO 0.07 0.31 -0.78 0.08 -0.87 0.00 0.00 176.83 175.64 2roq h ARG 60 N 0.46 0.00 0.00 4.77 0.11 -1.44 -0.40 114.38 117.88 2roq h ARG 60 Ca 0.12 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.16 2roq h ARG 60 Cb -0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2roq h ARG 60 CO -0.02 0.29 -0.73 1.96 0.10 0.00 0.00 179.97 181.57 2roq h GLN 61 N 0.00 0.00 -0.02 0.08 1.08 -0.13 -3.30 115.11 112.83 2roq h GLN 61 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2roq h GLN 61 Cb 1.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 2roq h GLN 61 CO 0.04 0.12 -0.28 1.33 -0.95 0.00 0.00 178.83 179.10 2roq n VAL 62 N -2.91 0.00 -1.75 -0.54 0.24 1.00 -4.96 118.33 109.40 2roq n VAL 62 Ca -0.00 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 61.78 2roq n VAL 62 Cb 0.62 1.27 -0.04 0.00 -1.47 0.00 0.00 33.84 34.22 2roq n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq n ALA 63 N 0.26 -0.31 -4.50 2.33 0.00 -0.90 -4.96 120.51 112.43 2roq n ALA 63 Ca 0.09 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.49 2roq n ALA 63 Cb 0.42 -1.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 2roq n ALA 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2roq n ARG 64 N -2.53 0.93 -3.87 0.00 3.00 -0.21 -5.02 116.66 108.96 2roq n ARG 64 Ca -0.16 -2.86 -0.33 0.00 -0.00 0.00 0.00 57.85 54.50 2roq n ARG 64 Cb 0.55 0.98 -0.13 0.00 0.00 0.00 0.00 32.46 33.87 2roq n ARG 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2roq s GLN 65 N -3.38 2.02 0.61 -0.14 -1.52 -1.26 -4.30 119.66 111.69 2roq s GLN 65 Ca 0.05 -2.26 -0.14 0.00 -1.95 0.00 0.00 55.36 51.05 2roq s GLN 65 Cb 0.00 -3.46 -0.03 0.00 -0.22 0.00 0.00 33.01 29.31 2roq s GLN 65 CO 0.03 -1.08 1.05 0.54 -0.25 0.00 0.00 175.29 175.59 2roq s VAL 66 N 0.34 3.95 0.29 1.09 0.11 -1.26 -5.05 120.40 119.87 2roq s VAL 66 Ca 0.14 0.84 -0.09 0.00 -2.93 0.00 0.00 61.98 59.94 2roq s VAL 66 Cb -0.22 -3.43 -0.07 0.00 -1.53 0.00 0.00 36.38 31.14 2roq s VAL 66 CO -0.04 -0.62 0.60 0.42 -3.33 0.00 0.00 175.10 172.13 2roq s THR 67 N -2.63 4.92 -0.01 5.04 -4.23 -1.26 -5.02 115.64 112.44 2roq s THR 67 Ca 0.62 0.39 -0.25 0.00 -1.18 0.00 0.00 61.69 61.27 2roq s THR 67 Cb -0.15 -3.68 -0.19 0.00 1.34 0.00 0.00 72.50 69.83 2roq s THR 67 CO 0.41 -0.24 1.29 1.55 -0.54 0.00 0.00 174.62 177.08 2roq h PRO 68 N 2.00 0.09 -1.06 3.99 0.13 -1.96 -3.21 132.00 131.97 2roq h PRO 68 Ca -0.47 -0.05 -0.37 0.00 -0.87 0.00 0.00 66.00 64.24 2roq h PRO 68 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 2roq h PRO 68 CO 0.67 0.55 0.47 0.41 -0.23 0.00 0.00 178.00 179.87 2roq n GLY 69 N 0.22 3.87 0.86 1.56 0.00 -1.26 -3.95 105.19 106.50 2roq n GLY 69 Ca -0.08 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.09 2roq n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2roq n GLN 70 N -0.52 0.27 0.01 1.61 7.27 -1.21 -3.23 117.38 121.58 2roq n GLN 70 Ca 0.41 -1.76 0.00 0.00 0.07 0.00 0.00 57.00 55.71 2roq n GLN 70 Cb 1.17 -0.50 0.00 0.00 2.41 0.00 0.00 30.24 33.32 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2roq n VAL 71 N -0.05 0.14 -0.89 1.69 0.31 -1.25 -4.19 118.33 114.09 2roq n VAL 71 Ca 0.06 0.05 -0.22 0.00 -0.01 0.00 0.00 64.34 64.21 2roq n VAL 71 Cb 0.87 -1.37 0.11 0.00 -0.91 0.00 0.00 33.84 32.55 2roq n VAL 71 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2roq n MET 72 N -3.00 2.10 0.00 5.55 0.00 -1.26 -4.25 117.12 116.26 2roq n MET 72 Ca 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 57.70 55.27 2roq n MET 72 Cb 0.37 -1.95 0.00 0.00 0.00 0.00 0.00 33.22 31.64 2roq n MET 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2roq n VAL 73 N -0.64 0.00 -0.30 3.17 0.24 -1.26 -4.62 118.33 114.91 2roq n VAL 73 Ca 0.48 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.74 2roq n VAL 73 Cb 1.13 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.49 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq n ALA 74 N -0.46 -0.25 -0.62 2.33 0.00 -1.26 -4.49 120.51 115.76 2roq n ALA 74 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.16 2roq n ALA 74 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2roq n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roq n SER 75 N -5.06 0.00 -2.04 0.00 2.88 -1.26 -4.73 113.62 103.42 2roq n SER 75 Ca 0.05 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2roq n SER 75 Cb 0.26 0.04 0.01 0.00 -0.75 0.00 0.00 64.21 63.78 2roq n SER 75 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2roq n THR 76 N -1.03 0.00 0.22 2.46 5.66 -1.26 -4.93 114.28 115.40 2roq n THR 76 Ca 0.00 -0.38 -0.16 0.00 -3.05 0.00 0.00 64.05 60.47 2roq n THR 76 Cb 0.00 0.44 -0.09 0.00 -1.55 0.00 0.00 70.33 69.13 2roq n THR 76 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2roq h VAL 77 N 1.50 0.00 -0.62 1.08 2.07 -1.68 0.24 116.25 118.84 2roq h VAL 77 Ca -0.15 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.49 2roq h VAL 77 Cb 0.61 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 2roq h VAL 77 CO 0.20 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.61 2roq h ALA 78 N -0.92 0.36 -0.39 1.67 0.00 -0.75 0.30 119.26 119.52 2roq h ALA 78 Ca -0.04 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2roq h ALA 78 Cb 0.74 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2roq h ALA 78 CO -0.11 -0.45 0.16 -0.22 0.00 0.00 0.00 179.25 178.63 2roq h LYS 79 N -0.02 0.55 -0.60 0.00 3.11 -1.75 -2.03 116.57 115.83 2roq h LYS 79 Ca 0.29 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 58.02 2roq h LYS 79 Cb 0.47 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.57 2roq h LYS 79 CO -0.65 0.46 0.19 -0.07 -2.81 0.00 0.00 179.45 176.57 2roq h LEU 80 N 0.55 0.83 -0.45 5.20 -0.00 0.30 -1.39 115.31 120.35 2roq h LEU 80 Ca 0.14 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 2roq h LEU 80 Cb 0.11 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.55 2roq h LEU 80 CO -0.01 0.78 -0.14 0.00 -0.00 0.00 0.00 178.44 179.07 2roq h ALA 81 N 1.34 0.94 0.00 1.53 0.00 -0.60 -2.27 119.26 120.20 2roq h ALA 81 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2roq h ALA 81 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2roq h ALA 81 CO -0.01 0.17 -0.43 1.15 0.00 0.00 0.00 179.25 180.13 2roq h THR 82 N 0.00 0.00 0.05 0.00 2.02 -0.71 -2.29 112.91 111.97 2roq h THR 82 Ca -0.00 -0.98 -0.34 0.00 0.77 0.00 0.00 66.41 65.86 2roq h THR 82 Cb 0.94 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 2roq h THR 82 CO 0.02 0.00 -2.00 2.30 0.37 0.00 0.00 175.52 176.21 2roq n ILE 83 N -2.89 1.64 0.07 3.11 -5.35 -0.59 -2.72 119.36 112.62 2roq n ILE 83 Ca 0.02 -0.72 -0.11 0.00 -0.27 0.00 0.00 62.75 61.67 2roq n ILE 83 Cb 0.53 -1.28 -0.13 0.00 -1.74 0.00 0.00 39.64 37.02 2roq n ILE 83 CO 0.00 0.00 0.00 0.16 -1.76 0.00 0.00 176.55 174.95 2roq h ILE 84 N 0.03 1.51 0.00 7.28 3.07 -1.52 -1.70 117.51 126.17 2roq h ILE 84 Ca -0.41 -3.17 -0.21 0.00 1.55 0.00 0.00 64.86 62.62 2roq h ILE 84 Cb 2.04 2.84 -0.03 0.00 -0.27 0.00 0.00 36.82 41.40 2roq h ILE 84 CO 0.06 0.89 -1.16 -0.78 -1.05 0.00 0.00 178.15 176.11 2roq h ASP 85 N 0.03 0.00 -0.56 2.16 3.58 -1.59 -3.44 116.42 116.60 2roq h ASP 85 Ca -0.10 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 2roq h ASP 85 Cb 1.89 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.78 2roq h ASP 85 CO 0.16 0.86 -0.29 0.00 -2.88 0.00 0.00 179.24 177.09 2roq s ALA 86 N -2.75 -3.43 0.06 -0.78 0.00 -1.10 -5.06 121.76 108.70 2roq s ALA 86 Ca -0.00 0.18 -0.36 0.00 0.00 0.00 0.00 51.96 51.77 2roq s ALA 86 Cb 0.09 -2.87 -0.16 0.00 0.00 0.00 0.00 23.12 20.18 2roq s ALA 86 CO 0.81 -2.40 1.45 -0.85 0.00 0.00 0.00 175.76 174.77 2roq n GLU 87 N 2.84 1.41 0.00 0.00 0.28 -0.64 -4.40 120.64 120.12 2roq n GLU 87 Ca 0.14 0.51 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 2roq n GLU 87 Cb 0.61 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 31.29 2roq n GLU 87 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2roq n GLU 88 N 3.13 -0.18 0.00 3.44 2.13 -1.26 -5.00 120.64 122.91 2roq n GLU 88 Ca 0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2roq n GLU 88 Cb 0.21 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.92 2roq n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2roq n ASP 89 N -2.95 0.00 -2.95 4.31 8.00 -1.26 -4.96 116.55 116.75 2roq n ASP 89 Ca 0.00 0.83 -0.09 0.00 0.71 0.00 0.00 54.79 56.23 2roq n ASP 89 Cb 0.00 -0.33 0.02 0.00 -0.02 0.00 0.00 41.12 40.79 2roq n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2roq s SER 90 N -2.44 0.10 -0.30 -2.24 1.04 -1.26 -5.17 113.70 103.43 2roq s SER 90 Ca 0.00 -1.18 -0.15 0.00 0.48 0.00 0.00 55.95 55.10 2roq s SER 90 Cb 0.00 0.84 0.18 0.00 0.10 0.00 0.00 66.02 67.13 2roq s SER 90 CO 0.00 -1.66 1.10 0.42 0.98 0.00 0.00 173.24 174.08 2roq s THR 91 N -2.37 -0.28 -0.13 2.02 -4.23 -1.26 -5.03 115.64 104.36 2roq s THR 91 Ca 0.17 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.84 2roq s THR 91 Cb -0.05 -1.00 0.28 0.00 1.34 0.00 0.00 72.50 73.08 2roq s THR 91 CO 0.12 0.00 1.15 0.54 -0.54 0.00 0.00 174.62 175.89 2roq n ARG 92 N 5.25 1.15 0.31 3.99 1.74 -1.26 -4.79 116.66 123.05 2roq n ARG 92 Ca -0.08 -2.51 -0.16 0.00 -0.77 0.00 0.00 57.85 54.33 2roq n ARG 92 Cb 0.54 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.53 2roq n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2roq h ARG 93 N 0.21 -0.89 -4.25 5.56 3.08 -1.96 -3.41 114.38 112.72 2roq h ARG 93 Ca -0.01 0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 2roq h ARG 93 Cb 1.07 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 31.19 2roq h ARG 93 CO 0.00 -0.59 -0.46 0.00 -1.07 0.00 0.00 179.97 177.85 2roq s MET 94 N -5.35 1.27 0.00 0.04 0.23 -1.26 -4.84 119.30 109.39 2roq s MET 94 Ca -0.15 -1.46 0.00 0.00 -1.03 0.00 0.00 55.69 53.04 2roq s MET 94 Cb 0.03 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.66 2roq s MET 94 CO 0.49 -0.45 0.00 0.41 -2.03 0.00 0.00 175.02 173.44 2roq n GLY 95 N -0.28 1.59 0.21 3.16 0.00 -1.25 -4.21 105.19 104.41 2roq n GLY 95 Ca -0.01 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.15 2roq n GLY 95 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2roq h PHE 96 N 0.00 0.00 -1.34 1.61 3.57 -1.86 -3.43 116.94 115.49 2roq h PHE 96 Ca 0.00 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 61.03 2roq h PHE 96 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2roq h PHE 96 CO 0.00 0.00 -0.30 -1.21 -2.23 0.00 0.00 178.31 174.57 2roq s GLU 97 N -3.67 2.60 0.00 1.11 2.02 -1.26 -5.00 118.70 114.49 2roq s GLU 97 Ca -0.02 -1.47 0.30 0.00 0.02 0.00 0.00 54.97 53.80 2roq s GLU 97 Cb 0.09 -2.53 1.57 0.00 0.10 0.00 0.00 34.13 33.36 2roq s GLU 97 CO 0.32 -0.32 2.07 0.25 0.02 0.00 0.00 175.26 177.59 2roq n THR 98 N -1.75 0.02 -4.25 3.63 -2.24 -1.26 -4.69 114.28 103.73 2roq n THR 98 Ca 0.06 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 2roq n THR 98 Cb 0.61 -0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 68.24 2roq n THR 98 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2roq s ILE 99 N -2.47 4.38 -0.28 2.28 -1.09 -1.26 -2.59 121.20 120.18 2roq s ILE 99 Ca 0.32 -0.42 -0.02 0.00 -2.23 0.00 0.00 60.65 58.29 2roq s ILE 99 Cb 0.20 -2.93 0.09 0.00 -1.58 0.00 0.00 42.46 38.24 2roq s ILE 99 CO 0.44 0.45 0.09 -0.22 -1.23 0.00 0.00 174.94 174.46 2roq s LEU 100 N -1.39 1.63 -0.54 2.97 0.20 -1.20 -3.84 118.68 116.51 2roq s LEU 100 Ca 0.18 -1.35 -0.27 0.00 0.69 0.00 0.00 54.13 53.38 2roq s LEU 100 Cb -0.12 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 44.93 2roq s LEU 100 CO 0.09 -0.39 1.82 -2.16 -0.29 0.00 0.00 176.35 175.41 2roq s PRO 101 N 1.77 2.83 0.04 0.98 0.04 -1.26 -3.92 135.00 135.48 2roq s PRO 101 Ca 0.07 0.79 0.13 0.00 0.04 0.00 0.00 61.00 62.02 2roq s PRO 101 Cb -0.17 -4.33 -0.18 0.00 0.04 0.00 0.00 34.50 29.86 2roq s PRO 101 CO -0.23 -2.48 0.89 -0.07 0.04 0.00 0.00 177.00 175.14 2roq h LEU 102 N 15.60 0.00 -6.04 -3.56 3.38 -1.91 -3.45 115.31 119.33 2roq h LEU 102 Ca -0.28 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2roq h LEU 102 Cb 1.16 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.69 2roq h LEU 102 CO 1.17 0.85 -0.33 -0.13 0.09 0.00 0.00 178.44 180.09 2roq s ARG 103 N -2.73 0.55 -0.23 1.13 0.52 -1.09 -4.89 118.95 112.20 2roq s ARG 103 Ca -0.02 0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 55.94 2roq s ARG 103 Cb 0.08 0.35 0.07 0.00 0.52 0.00 0.00 34.95 35.98 2roq s ARG 103 CO 0.81 -0.80 0.06 -1.83 0.02 0.00 0.00 175.30 173.56 2roq s GLU 104 N 2.82 0.65 0.00 3.54 -1.05 -1.26 0.03 118.70 123.43 2roq s GLU 104 Ca 0.16 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 2roq s GLU 104 Cb -0.13 -2.01 0.00 0.00 -0.44 0.00 0.00 34.13 31.55 2roq s GLU 104 CO -0.23 -0.76 0.00 0.41 0.95 0.00 0.00 175.26 175.63 2roq n GLY 105 N 5.01 0.83 0.61 -3.83 0.00 -1.26 -5.07 105.19 101.48 2roq n GLY 105 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2roq n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2roq n ASN 106 N 0.00 0.00 0.00 1.61 3.02 -1.26 -4.99 115.26 113.64 2roq n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2roq n ASN 106 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2roq n GLY 107 N 3.14 0.15 3.71 7.41 0.00 -1.26 -4.90 105.19 113.43 2roq n GLY 107 Ca 0.00 0.42 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 2roq n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 108 N 1.18 1.05 -0.23 1.61 0.04 -1.26 -4.71 135.00 132.67 2roq s PRO 108 Ca 0.00 0.74 -0.08 0.00 0.04 0.00 0.00 61.00 61.71 2roq s PRO 108 Cb 0.00 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2roq s PRO 108 CO 0.00 -2.36 0.08 0.95 0.04 0.00 0.00 177.00 175.71 2roq s THR 109 N -2.94 4.57 -0.47 1.26 -4.23 -1.26 -2.43 115.64 110.14 2roq s THR 109 Ca 0.64 -0.09 0.03 0.00 -1.18 0.00 0.00 61.69 61.08 2roq s THR 109 Cb -0.18 -3.12 0.12 0.00 1.34 0.00 0.00 72.50 70.67 2roq s THR 109 CO 0.57 0.37 0.21 -0.22 -0.54 0.00 0.00 174.62 175.01 2roq s LEU 110 N 1.23 4.63 -0.48 4.79 1.98 -0.38 -4.24 118.68 126.21 2roq s LEU 110 Ca 0.05 -2.66 -0.27 0.00 -2.89 0.00 0.00 54.13 48.36 2roq s LEU 110 Cb -0.14 -1.68 0.03 0.00 0.66 0.00 0.00 46.19 45.06 2roq s LEU 110 CO 0.04 -0.32 1.01 -0.36 -1.89 0.00 0.00 176.35 174.84 2roq s PHE 111 N 0.21 2.86 -0.02 5.38 0.08 -1.17 -0.69 117.98 124.63 2roq s PHE 111 Ca 0.14 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.67 2roq s PHE 111 Cb -0.23 -4.17 -0.04 0.00 -0.57 0.00 0.00 43.02 38.01 2roq s PHE 111 CO -0.03 -1.20 0.03 0.00 -0.10 0.00 0.00 175.22 173.92 2roq s PHE 113 N -1.09 3.47 0.68 0.00 0.08 0.68 -3.41 117.98 118.39 2roq s PHE 113 Ca 0.20 0.74 -0.16 0.00 0.12 0.00 0.00 56.93 57.82 2roq s PHE 113 Cb -0.12 -2.48 0.01 0.00 -0.57 0.00 0.00 43.02 39.87 2roq s PHE 113 CO 0.10 0.15 1.19 -3.38 -0.10 0.00 0.00 175.22 173.19 2roq s HIS 114 N 0.72 2.23 0.00 0.36 -3.43 -1.25 -4.22 115.29 109.69 2roq s HIS 114 Ca 0.21 1.57 0.00 0.00 -0.80 0.00 0.00 55.06 56.04 2roq s HIS 114 Cb -0.14 -3.43 0.00 0.00 -1.43 0.00 0.00 32.58 27.58 2roq s HIS 114 CO 0.08 -2.37 0.00 -0.35 -2.00 0.00 0.00 174.74 170.10 2roq n PRO 115 N -2.37 -0.29 0.00 -0.38 -0.04 -1.26 -4.67 135.00 126.00 2roq n PRO 115 Ca 0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 2roq n PRO 115 Cb 0.50 0.00 0.41 0.00 -0.04 0.00 0.00 33.50 34.37 2roq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2roq n ALA 116 N -3.00 1.88 -0.03 0.55 0.00 -1.26 -4.00 120.51 114.64 2roq n ALA 116 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2roq n ALA 116 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2roq n ALA 116 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2roq n SER 117 N -1.42 0.00 0.00 0.00 7.64 -1.26 -3.72 113.62 114.86 2roq n SER 117 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2roq n SER 117 Cb 0.19 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2roq n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2roq n GLY 118 N 1.76 0.74 3.69 0.23 0.00 -1.26 -4.96 105.19 105.40 2roq n GLY 118 Ca 0.00 0.03 -0.55 0.00 0.00 0.00 0.00 46.02 45.50 2roq n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2roq n PHE 119 N 0.00 2.12 -0.27 1.61 3.72 -1.26 -4.52 117.46 118.86 2roq n PHE 119 Ca 0.00 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 2roq n PHE 119 Cb 0.00 -2.52 0.00 0.00 -0.94 0.00 0.00 39.48 36.02 2roq n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2roq n ALA 120 N 5.98 1.79 0.32 4.37 0.00 -1.26 -4.71 120.51 126.99 2roq n ALA 120 Ca 0.26 -0.56 0.19 0.00 0.00 0.00 0.00 53.44 53.33 2roq n ALA 120 Cb 0.18 0.00 1.00 0.00 0.00 0.00 0.00 19.45 20.63 2roq n ALA 120 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2roq h TRP 121 N 0.00 0.00 -0.42 0.00 4.06 -1.94 0.82 115.95 118.46 2roq h TRP 121 Ca 0.00 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.82 2roq h TRP 121 Cb 0.33 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.41 2roq h TRP 121 CO 0.00 0.00 0.17 0.00 -3.56 0.00 0.00 178.44 175.05 2roq n GLN 122 N -2.91 2.48 -0.07 0.49 10.64 -1.26 -3.84 117.38 122.91 2roq n GLN 122 Ca -0.02 -1.70 0.10 0.00 -1.83 0.00 0.00 57.00 53.55 2roq n GLN 122 Cb 0.19 -1.80 0.13 0.00 -0.86 0.00 0.00 30.24 27.90 2roq n GLN 122 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2roq n PHE 123 N 0.00 0.18 -0.33 2.61 -1.74 0.28 -4.50 117.46 113.96 2roq n PHE 123 Ca 0.23 -0.10 0.24 0.00 -0.56 0.00 0.00 57.45 57.26 2roq n PHE 123 Cb 0.95 -0.00 0.53 0.00 1.52 0.00 0.00 39.48 42.47 2roq n PHE 123 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 2roq h SER 124 N 3.96 0.42 -0.93 5.98 4.64 -1.79 0.34 113.55 126.16 2roq h SER 124 Ca 0.00 0.09 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2roq h SER 124 Cb 0.87 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.92 2roq h SER 124 CO 0.00 0.06 0.60 1.62 -0.87 0.00 0.00 176.83 178.24 2roq h VAL 125 N 0.36 1.11 -0.00 0.95 3.04 -1.92 0.29 116.25 120.07 2roq h VAL 125 Ca 0.62 -0.39 -0.01 0.00 -1.01 0.00 0.00 66.70 65.91 2roq h VAL 125 Cb 1.62 -0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2roq h VAL 125 CO -0.31 0.21 -0.03 0.25 -1.01 0.00 0.00 177.57 176.68 2roq h LEU 126 N 1.13 0.03 -1.95 3.16 5.85 -0.71 -1.62 115.31 121.20 2roq h LEU 126 Ca 0.39 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 58.37 2roq h LEU 126 Cb 0.08 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2roq h LEU 126 CO -0.15 0.77 0.05 0.77 -0.34 0.00 0.00 178.44 179.54 2roq h SER 127 N -0.71 0.06 1.44 1.25 4.64 -1.10 0.64 113.55 119.77 2roq h SER 127 Ca -0.00 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2roq h SER 127 Cb 0.77 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2roq h SER 127 CO 0.01 0.04 -0.57 -0.09 -0.87 0.00 0.00 176.83 175.35 2roq h ARG 128 N 0.07 0.00 0.11 4.77 2.43 -0.45 -1.89 114.38 119.41 2roq h ARG 128 Ca 0.03 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.91 2roq h ARG 128 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2roq h ARG 128 CO -0.00 0.09 -1.45 1.88 -1.51 0.00 0.00 179.97 178.97 2roq h TYR 129 N 0.00 0.43 0.07 2.20 0.05 -0.07 -3.38 116.97 116.27 2roq h TYR 129 Ca -0.02 -0.31 -0.21 0.00 0.05 0.00 0.00 58.73 58.24 2roq h TYR 129 Cb 1.10 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 2roq h TYR 129 CO 0.00 1.33 -1.09 1.37 -1.05 0.00 0.00 178.16 178.72 2roq h LEU 130 N 0.06 0.24 -8.75 3.88 8.10 -1.05 -3.44 115.31 114.35 2roq h LEU 130 Ca -0.21 -0.81 -0.45 0.00 0.11 0.00 0.00 57.88 56.52 2roq h LEU 130 Cb 2.00 -0.08 -0.17 0.00 -0.44 0.00 0.00 40.66 41.97 2roq h LEU 130 CO 0.17 1.47 -0.75 -1.81 -4.11 0.00 0.00 178.44 173.40 2roq s ASP 131 N -6.85 2.32 -0.02 0.17 1.01 -0.71 -4.89 116.67 107.70 2roq s ASP 131 Ca -0.21 -0.90 -0.26 0.00 0.71 0.00 0.00 52.55 51.89 2roq s ASP 131 Cb 0.03 -0.11 -0.20 0.00 1.01 0.00 0.00 42.92 43.66 2roq s ASP 131 CO 0.72 -0.14 1.24 1.55 0.21 0.00 0.00 175.17 178.75 2roq h PRO 132 N 3.11 -0.04 0.00 8.23 0.13 -1.79 -3.30 132.00 138.34 2roq h PRO 132 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2roq h PRO 132 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2roq h PRO 132 CO 0.55 0.43 0.00 0.94 -0.23 0.00 0.00 178.00 179.69 2roq n GLN 133 N -4.88 0.00 -4.54 0.86 7.27 -1.26 -4.85 117.38 109.98 2roq n GLN 133 Ca -0.08 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.73 2roq n GLN 133 Cb 0.25 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.81 2roq n GLN 133 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2roq s TRP 134 N 0.00 1.89 0.36 3.69 0.23 -1.26 -4.74 118.94 119.10 2roq s TRP 134 Ca 0.00 -1.10 -0.28 0.00 -2.03 0.00 0.00 56.10 52.69 2roq s TRP 134 Cb 0.00 -1.30 -0.10 0.00 0.03 0.00 0.00 33.47 32.11 2roq s TRP 134 CO 0.00 -0.09 1.32 0.45 0.96 0.00 0.00 176.95 179.59 2roq s SER 135 N -3.62 6.60 -0.10 2.95 0.15 -1.02 -4.81 113.70 113.86 2roq s SER 135 Ca 0.25 2.70 -0.04 0.00 0.70 0.00 0.00 55.95 59.56 2roq s SER 135 Cb 0.05 -2.65 0.05 0.00 -1.71 0.00 0.00 66.02 61.76 2roq s SER 135 CO 0.13 -0.65 0.21 -0.63 1.20 0.00 0.00 173.24 173.50 2roq s ILE 136 N -1.18 -0.24 -0.30 6.45 1.01 0.10 -1.25 121.20 125.79 2roq s ILE 136 Ca 0.52 0.26 -0.06 0.00 0.00 0.00 0.00 60.65 61.37 2roq s ILE 136 Cb -0.40 -0.36 0.02 0.00 0.01 0.00 0.00 42.46 41.74 2roq s ILE 136 CO 0.52 0.11 0.07 -0.63 0.00 0.00 0.00 174.94 175.01 2roq s ILE 137 N 1.95 3.77 -0.19 2.92 -1.09 0.13 -2.68 121.20 126.01 2roq s ILE 137 Ca -0.02 -0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.54 2roq s ILE 137 Cb -0.12 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.78 2roq s ILE 137 CO -0.07 0.03 -0.15 -0.83 -1.23 0.00 0.00 174.94 172.69 2roq s GLY 138 N 1.45 1.47 -0.85 6.18 0.00 -1.25 -0.98 107.32 113.34 2roq s GLY 138 Ca 0.01 -1.19 -0.25 0.00 0.00 0.00 0.00 44.72 43.29 2roq s GLY 138 CO 0.02 0.30 1.55 -1.50 0.00 0.00 0.00 173.10 173.47 2roq s ILE 139 N 1.31 3.68 0.02 0.90 1.10 -1.22 -3.23 121.20 123.76 2roq s ILE 139 Ca 0.04 -0.17 -0.20 0.00 -0.51 0.00 0.00 60.65 59.82 2roq s ILE 139 Cb -0.14 -4.65 0.04 0.00 0.15 0.00 0.00 42.46 37.87 2roq s ILE 139 CO -0.09 -1.57 0.45 0.00 -2.11 0.00 0.00 174.94 171.62 2roq s GLN 140 N 5.91 0.92 -0.28 3.50 -2.07 -1.07 -3.96 119.66 122.61 2roq s GLN 140 Ca 0.50 -0.23 -0.25 0.00 -1.82 0.00 0.00 55.36 53.56 2roq s GLN 140 Cb -0.06 0.41 0.11 0.00 -1.09 0.00 0.00 33.01 32.38 2roq s GLN 140 CO 0.04 -0.31 0.94 -1.54 -1.32 0.00 0.00 175.29 173.10 2roq s SER 141 N -1.78 -0.54 -0.07 12.60 1.04 -1.26 -3.54 113.70 120.15 2roq s SER 141 Ca -0.07 1.05 -0.30 0.00 0.48 0.00 0.00 55.95 57.11 2roq s SER 141 Cb -0.01 1.06 -0.05 0.00 0.10 0.00 0.00 66.02 67.12 2roq s SER 141 CO 0.00 -0.18 1.50 -2.16 0.98 0.00 0.00 173.24 173.38 2roq s PRO 142 N 0.29 4.22 -0.08 4.02 0.04 -1.26 -4.83 135.00 137.40 2roq s PRO 142 Ca 0.02 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 2roq s PRO 142 Cb -0.05 -3.83 0.02 0.00 0.04 0.00 0.00 34.50 30.69 2roq s PRO 142 CO -0.04 -0.75 0.29 1.03 0.04 0.00 0.00 177.00 177.57 2roq s ARG 143 N 3.50 0.45 -0.02 4.56 0.52 -1.26 -4.86 118.95 121.84 2roq s ARG 143 Ca 0.67 0.18 -0.26 0.00 -0.52 0.00 0.00 55.73 55.80 2roq s ARG 143 Cb -0.30 0.21 -0.20 0.00 0.52 0.00 0.00 34.95 35.18 2roq s ARG 143 CO 0.25 -0.09 1.27 -1.00 0.02 0.00 0.00 175.30 175.76 2roq h PRO 144 N 5.06 0.02 0.00 3.54 0.13 -1.94 -3.45 132.00 135.36 2roq h PRO 144 Ca -0.27 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 2roq h PRO 144 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 2roq h PRO 144 CO 0.35 0.50 0.00 -1.71 -0.23 0.00 0.00 178.00 176.91 2roq n ASN 145 N -4.84 -1.24 -4.41 1.44 5.15 -1.26 -4.06 115.26 106.04 2roq n ASN 145 Ca -0.08 -1.77 -0.38 0.00 -0.60 0.00 0.00 54.58 51.75 2roq n ASN 145 Cb 0.26 0.82 0.04 0.00 -0.53 0.00 0.00 39.78 40.37 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2roq n GLY 146 N 1.21 -1.92 0.07 8.20 0.00 -1.26 -4.92 105.19 106.57 2roq n GLY 146 Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2roq n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2roq h PRO 147 N -0.03 0.08 0.00 1.61 0.13 -2.03 -3.05 132.00 128.71 2roq h PRO 147 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2roq h PRO 147 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2roq h PRO 147 CO 0.44 0.55 0.00 -1.33 -0.23 0.00 0.00 178.00 177.43 2roq n MET 148 N -4.79 0.21 0.05 0.86 2.81 -1.26 -2.27 117.12 112.73 2roq n MET 148 Ca -0.08 0.44 0.08 0.00 -1.81 0.00 0.00 57.70 56.33 2roq n MET 148 Cb 0.28 -1.90 0.34 0.00 -0.71 0.00 0.00 33.22 31.23 2roq n MET 148 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2roq n GLN 149 N -2.29 0.07 0.41 0.03 -0.06 -1.15 0.29 117.38 114.67 2roq n GLN 149 Ca 0.02 0.35 -0.16 0.00 -2.00 0.00 0.00 57.00 55.21 2roq n GLN 149 Cb 0.23 -1.64 -0.08 0.00 -4.06 0.00 0.00 30.24 24.69 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2roq h THR 150 N 0.00 0.00 0.00 1.69 1.35 -1.59 -3.37 112.91 110.99 2roq h THR 150 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2roq h THR 150 Cb 0.24 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.66 2roq h THR 150 CO 0.00 0.00 -0.46 0.00 -0.25 0.00 0.00 175.52 174.81 2roq n ALA 151 N -2.64 1.10 1.06 6.62 0.00 -1.21 -4.66 120.51 120.79 2roq n ALA 151 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.36 2roq n ALA 151 Cb 0.42 0.04 0.13 0.00 0.00 0.00 0.00 19.45 20.04 2roq n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 152 N -0.86 2.45 -0.15 0.00 0.00 0.85 -4.20 120.51 118.61 2roq n ALA 152 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 53.44 52.87 2roq n ALA 152 Cb 0.08 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.59 2roq n ALA 152 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2roq h ASN 153 N 1.73 0.30 0.41 0.00 -1.07 -0.34 0.27 115.58 116.89 2roq h ASN 153 Ca 0.00 0.03 -0.14 0.00 0.07 0.00 0.00 56.30 56.26 2roq h ASN 153 Cb 0.40 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.61 2roq h ASN 153 CO 0.00 0.22 -0.60 -0.07 0.07 0.00 0.00 177.43 177.05 2roq h LEU 154 N 0.44 0.21 -0.05 6.14 3.38 -1.87 -2.13 115.31 121.43 2roq h LEU 154 Ca 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2roq h LEU 154 Cb 0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2roq h LEU 154 CO -0.15 0.76 -0.03 -0.78 0.09 0.00 0.00 178.44 178.32 2roq h ASP 155 N 0.14 0.11 0.59 -0.43 3.58 -1.62 -2.13 116.42 116.67 2roq h ASP 155 Ca -0.01 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 2roq h ASP 155 Cb 1.09 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.11 2roq h ASP 155 CO 0.09 0.53 -0.28 -0.08 -2.88 0.00 0.00 179.24 176.62 2roq h GLU 156 N -0.31 -0.77 -0.46 0.28 4.81 -0.52 -2.04 114.58 115.58 2roq h GLU 156 Ca 0.01 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.43 2roq h GLU 156 Cb 0.50 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2roq h GLU 156 CO 0.01 -0.46 0.41 -0.39 -0.73 0.00 0.00 179.01 177.85 2roq h VAL 157 N -0.95 0.52 0.14 0.32 -1.51 -1.48 -1.24 116.25 112.04 2roq h VAL 157 Ca -0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.38 2roq h VAL 157 Cb 0.66 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2roq h VAL 157 CO 0.13 0.00 -0.07 0.00 -1.23 0.00 0.00 177.57 176.41 2roq h GLU 159 N -0.78 -0.99 -0.12 0.00 4.39 -0.60 -0.62 114.58 115.86 2roq h GLU 159 Ca -0.02 0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.79 2roq h GLU 159 Cb 0.54 0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.35 2roq h GLU 159 CO 0.03 -0.66 -0.37 0.00 -1.16 0.00 0.00 179.01 176.85 2roq h ALA 160 N -0.79 -0.50 -0.28 3.43 0.00 -1.40 -0.61 119.26 119.13 2roq h ALA 160 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2roq h ALA 160 Cb 0.81 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 2roq h ALA 160 CO 0.12 -0.87 -0.24 1.25 0.00 0.00 0.00 179.25 179.52 2roq h HIS 161 N -0.46 -0.63 -0.27 0.00 -0.00 -1.34 -1.96 115.15 110.50 2roq h HIS 161 Ca 0.08 0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.56 2roq h HIS 161 Cb 0.59 0.32 -0.07 0.00 -0.00 0.00 0.00 27.41 28.25 2roq h HIS 161 CO -0.44 -0.31 -0.21 -0.07 -0.00 0.00 0.00 177.93 176.89 2roq h LEU 162 N -0.23 -0.70 -0.89 0.26 -0.00 -0.55 -0.72 115.31 112.48 2roq h LEU 162 Ca 0.15 0.14 0.19 0.00 -0.00 0.00 0.00 57.88 58.36 2roq h LEU 162 Cb 0.46 0.34 -0.11 0.00 -0.00 0.00 0.00 40.66 41.35 2roq h LEU 162 CO -0.41 -0.25 0.44 0.00 -0.00 0.00 0.00 178.44 178.22 2roq h ALA 163 N 0.91 1.42 -0.66 1.53 0.00 -0.44 0.98 119.26 122.99 2roq h ALA 163 Ca 0.15 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2roq h ALA 163 Cb 0.43 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2roq h ALA 163 CO -0.39 -0.22 0.14 1.15 0.00 0.00 0.00 179.25 179.93 2roq h THR 164 N 0.52 1.26 0.56 0.00 2.02 -0.46 -1.34 112.91 115.47 2roq h THR 164 Ca 0.53 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2roq h THR 164 Cb 0.91 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2roq h THR 164 CO -0.45 0.37 -0.30 -0.07 0.37 0.00 0.00 175.52 175.44 2roq h LEU 165 N 1.00 -0.73 -0.67 2.58 4.07 0.15 -1.73 115.31 119.98 2roq h LEU 165 Ca 0.21 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2roq h LEU 165 Cb 0.39 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2roq h LEU 165 CO 0.01 -0.49 0.00 0.18 -1.08 0.00 0.00 178.44 177.05 2roq n LEU 166 N -5.44 0.49 0.11 1.67 7.99 -0.80 -1.85 117.00 119.18 2roq n LEU 166 Ca -0.12 0.64 0.00 0.00 -0.01 0.00 0.00 56.01 56.52 2roq n LEU 166 Cb 0.34 -0.61 -0.01 0.00 -0.11 0.00 0.00 43.42 43.03 2roq n LEU 166 CO 0.36 -0.58 0.33 -0.08 -1.51 0.00 0.00 177.39 175.92 2roq h GLU 167 N 0.00 0.00 0.03 3.23 4.81 -0.39 -3.31 114.58 118.95 2roq h GLU 167 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 2roq h GLU 167 Cb 0.26 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2roq h GLU 167 CO 0.00 0.58 -1.77 1.96 -0.73 0.00 0.00 179.01 179.05 2roq h GLN 168 N 0.00 0.07 -2.03 1.92 1.08 -0.65 -3.49 115.11 112.01 2roq h GLN 168 Ca -0.02 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2roq h GLN 168 Cb 1.48 0.05 -0.19 0.00 -0.05 0.00 0.00 27.48 28.77 2roq h GLN 168 CO 0.08 0.69 0.31 -0.65 -0.95 0.00 0.00 178.83 178.31 2roq s GLN 169 N -2.59 0.94 -0.02 1.46 -0.21 -0.96 -5.07 119.66 113.21 2roq s GLN 169 Ca -0.09 0.09 -0.26 0.00 0.02 0.00 0.00 55.36 55.13 2roq s GLN 169 Cb 0.08 0.44 -0.20 0.00 1.00 0.00 0.00 33.01 34.33 2roq s GLN 169 CO 0.81 -0.32 1.25 -1.00 -2.12 0.00 0.00 175.29 173.91 2roq h PRO 170 N 2.68 -0.03 -3.24 2.91 0.13 -1.85 -3.34 132.00 129.25 2roq h PRO 170 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 2roq h PRO 170 Cb 1.18 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2roq h PRO 170 CO 0.36 0.44 0.15 -3.38 -0.23 0.00 0.00 178.00 175.34 2roq s HIS 171 N -4.24 0.21 0.00 1.56 -3.43 -1.26 -4.92 115.29 103.21 2roq s HIS 171 Ca -0.16 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 53.37 2roq s HIS 171 Cb 0.02 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.76 2roq s HIS 171 CO 0.66 -1.36 0.00 0.41 -2.00 0.00 0.00 174.74 172.45 2roq n GLY 172 N -0.50 1.36 3.61 -1.38 0.00 -1.26 -5.03 105.19 101.98 2roq n GLY 172 Ca -0.05 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 2roq n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 173 N -1.20 3.49 -0.16 1.61 0.04 -1.26 -4.56 135.00 132.96 2roq s PRO 173 Ca 0.00 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 2roq s PRO 173 Cb 0.00 -4.13 -0.01 0.00 0.04 0.00 0.00 34.50 30.41 2roq s PRO 173 CO 0.00 -1.67 -0.12 0.71 0.04 0.00 0.00 177.00 175.96 2roq s TYR 174 N 6.20 2.83 -0.23 0.56 2.02 -1.26 -4.77 117.35 122.71 2roq s TYR 174 Ca 0.74 -0.90 -0.16 0.00 -0.37 0.00 0.00 57.07 56.38 2roq s TYR 174 Cb -0.21 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 2roq s TYR 174 CO 0.33 -0.41 0.40 0.71 -1.57 0.00 0.00 175.55 175.01 2roq s TYR 175 N 0.80 3.33 0.34 2.71 2.02 -1.26 -3.27 117.35 122.03 2roq s TYR 175 Ca -0.04 0.56 0.08 0.00 -0.37 0.00 0.00 57.07 57.29 2roq s TYR 175 Cb -0.15 -2.55 -0.03 0.00 -0.40 0.00 0.00 41.96 38.82 2roq s TYR 175 CO 0.01 -0.09 0.24 -0.51 -1.57 0.00 0.00 175.55 173.62 2roq s LEU 176 N 1.60 3.45 -0.30 -1.29 2.01 -0.98 -3.02 118.68 120.16 2roq s LEU 176 Ca 0.18 -0.62 -0.15 0.00 0.01 0.00 0.00 54.13 53.55 2roq s LEU 176 Cb -0.15 -2.01 0.16 0.00 0.01 0.00 0.00 46.19 44.20 2roq s LEU 176 CO 0.08 -0.35 0.96 -0.22 1.01 0.00 0.00 176.35 177.83 2roq s LEU 177 N -3.94 -0.63 0.33 1.79 0.20 -1.18 -0.06 118.68 115.19 2roq s LEU 177 Ca 0.40 0.87 0.04 0.00 0.69 0.00 0.00 54.13 56.13 2roq s LEU 177 Cb -0.04 1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 47.41 2roq s LEU 177 CO 0.25 -0.12 0.18 -0.83 -0.29 0.00 0.00 176.35 175.54 2roq s GLY 178 N 2.45 2.23 0.02 7.98 0.00 0.27 -0.23 107.32 120.04 2roq s GLY 178 Ca -0.03 -1.73 -0.01 0.00 0.00 0.00 0.00 44.72 42.95 2roq s GLY 178 CO -0.18 -1.60 -0.01 -0.19 0.00 0.00 0.00 173.10 171.12 2roq s TYR 179 N -3.50 0.22 0.00 1.90 2.02 -1.26 -3.60 117.35 113.13 2roq s TYR 179 Ca 0.34 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2roq s TYR 179 Cb 0.04 -0.16 0.00 0.00 -0.40 0.00 0.00 41.96 41.43 2roq s TYR 179 CO 0.19 -0.19 0.00 0.45 -1.57 0.00 0.00 175.55 174.43 2roq n SER 180 N 1.65 0.00 0.03 2.29 2.88 -0.92 -1.00 113.62 118.56 2roq n SER 180 Ca -0.23 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2roq n SER 180 Cb 0.55 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.15 2roq n SER 180 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2roq n LEU 181 N 0.00 0.62 -0.35 2.46 7.99 -1.26 -4.19 117.00 122.27 2roq n LEU 181 Ca 0.00 0.05 0.14 0.00 -0.01 0.00 0.00 56.01 56.19 2roq n LEU 181 Cb 0.00 -0.17 0.34 0.00 -0.11 0.00 0.00 43.42 43.48 2roq n LEU 181 CO 0.00 0.05 1.18 1.23 -1.51 0.00 0.00 177.39 178.34 2roq h GLY 182 N 4.70 1.82 0.20 -0.72 0.00 -1.34 -0.96 103.07 106.77 2roq h GLY 182 Ca 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 47.33 47.10 2roq h GLY 182 CO 0.00 -0.12 0.13 -1.33 0.00 0.00 0.00 176.54 175.21 2roq h GLY 183 N 0.70 0.76 0.60 4.60 0.00 -1.83 0.30 103.07 108.20 2roq h GLY 183 Ca 0.60 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 2roq h GLY 183 CO -0.42 -0.11 -0.07 -0.91 0.00 0.00 0.00 176.54 175.04 2roq h THR 184 N 0.26 1.38 -0.89 4.70 1.35 -1.49 -2.12 112.91 116.10 2roq h THR 184 Ca 0.31 -1.26 0.08 0.00 -0.55 0.00 0.00 66.41 64.99 2roq h THR 184 Cb 0.46 2.08 -0.07 0.00 -1.73 0.00 0.00 68.15 68.89 2roq h THR 184 CO -0.40 0.35 0.55 -0.07 -0.25 0.00 0.00 175.52 175.70 2roq h LEU 185 N -0.30 0.84 -0.66 3.87 3.38 -0.94 -1.50 115.31 120.00 2roq h LEU 185 Ca 0.01 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2roq h LEU 185 Cb 0.59 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2roq h LEU 185 CO 0.02 0.51 -0.18 0.00 0.09 0.00 0.00 178.44 178.88 2roq h ALA 186 N 1.44 0.85 0.25 1.53 0.00 -0.40 -2.12 119.26 120.80 2roq h ALA 186 Ca 0.40 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 186 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2roq h ALA 186 CO -0.20 0.64 -0.16 0.37 0.00 0.00 0.00 179.25 179.89 2roq h GLN 187 N 0.76 -0.39 -0.17 0.00 5.75 -0.59 0.28 115.11 120.74 2roq h GLN 187 Ca 0.11 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2roq h GLN 187 Cb 0.71 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 2roq h GLN 187 CO 0.05 -0.26 0.09 0.78 -2.65 0.00 0.00 178.83 176.84 2roq h GLY 188 N -0.41 0.26 0.98 2.39 0.00 -1.37 -2.11 103.07 102.81 2roq h GLY 188 Ca -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2roq h GLY 188 CO 0.01 0.12 0.13 -2.22 0.00 0.00 0.00 176.54 174.58 2roq h ILE 189 N 0.17 1.08 -0.65 2.60 2.04 -1.29 -2.06 117.51 119.39 2roq h ILE 189 Ca 0.06 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 65.83 2roq h ILE 189 Cb 0.09 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 2roq h ILE 189 CO -0.01 0.07 0.28 0.00 0.00 0.00 0.00 178.15 178.50 2roq h ALA 190 N 1.04 0.87 -0.53 1.87 0.00 -0.36 -0.78 119.26 121.38 2roq h ALA 190 Ca 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2roq h ALA 190 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2roq h ALA 190 CO -0.01 -0.14 0.18 0.00 0.00 0.00 0.00 179.25 179.28 2roq h ALA 191 N 1.42 1.33 -0.62 0.00 0.00 -1.10 -1.82 119.26 118.47 2roq h ALA 191 Ca 0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2roq h ALA 191 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2roq h ALA 191 CO -0.29 0.49 0.19 0.00 0.00 0.00 0.00 179.25 179.65 2roq h ARG 192 N 0.77 0.94 0.24 0.00 2.47 -0.45 -2.12 114.38 116.22 2roq h ARG 192 Ca 0.18 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2roq h ARG 192 Cb 0.20 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2roq h ARG 192 CO -0.01 0.81 -0.11 -0.07 0.56 0.00 0.00 179.97 181.15 2roq h LEU 193 N 0.91 -0.27 -2.00 3.04 3.38 -0.89 0.26 115.31 119.74 2roq h LEU 193 Ca 0.21 -0.26 0.23 0.00 0.09 0.00 0.00 57.88 58.15 2roq h LEU 193 Cb 0.26 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2roq h LEU 193 CO -0.01 0.21 0.58 -0.09 0.09 0.00 0.00 178.44 179.22 2roq h ARG 194 N -0.85 0.00 0.00 1.13 9.65 -1.32 0.24 114.38 123.24 2roq h ARG 194 Ca -0.03 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.65 2roq h ARG 194 Cb 0.51 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 2roq h ARG 194 CO 0.05 0.00 -1.54 0.00 2.80 0.00 0.00 179.97 181.28 2roq n ALA 195 N -2.69 1.84 0.31 2.80 0.00 -0.80 -3.91 120.51 118.07 2roq n ALA 195 Ca 0.16 -0.63 0.15 0.00 0.00 0.00 0.00 53.44 53.12 2roq n ALA 195 Cb 0.87 -0.89 0.55 0.00 0.00 0.00 0.00 19.45 19.98 2roq n ALA 195 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2roq h ARG 196 N 0.00 0.00 0.00 0.00 2.43 0.28 -3.46 114.38 113.63 2roq h ARG 196 Ca -0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2roq h ARG 196 Cb 1.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 2roq h ARG 196 CO 0.05 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.92 2roq n GLY 197 N 0.28 1.66 3.93 2.80 0.00 -0.47 -5.06 105.19 108.34 2roq n GLY 197 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2roq n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2roq s GLU 198 N -0.14 2.86 -0.07 1.61 2.02 -0.79 -4.99 118.70 119.20 2roq s GLU 198 Ca 0.00 -0.21 0.05 0.00 0.02 0.00 0.00 54.97 54.83 2roq s GLU 198 Cb 0.00 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 2roq s GLU 198 CO 0.00 -0.64 -0.24 1.14 0.02 0.00 0.00 175.26 175.54 2roq s GLN 199 N -4.88 2.71 -0.05 1.61 -2.07 -1.26 -3.40 119.66 112.32 2roq s GLN 199 Ca 0.53 -0.88 -0.26 0.00 -1.82 0.00 0.00 55.36 52.94 2roq s GLN 199 Cb -0.10 -2.18 -0.03 0.00 -1.09 0.00 0.00 33.01 29.60 2roq s GLN 199 CO 0.43 0.29 0.81 0.14 -1.32 0.00 0.00 175.29 175.63 2roq s VAL 200 N 0.07 4.98 -0.03 3.63 -7.23 -1.26 -4.20 120.40 116.35 2roq s VAL 200 Ca -0.10 1.67 -0.21 0.00 -1.81 0.00 0.00 61.98 61.53 2roq s VAL 200 Cb -0.15 -4.14 -0.15 0.00 0.56 0.00 0.00 36.38 32.49 2roq s VAL 200 CO 0.06 0.21 0.95 0.00 -0.31 0.00 0.00 175.10 176.01 2roq h ALA 201 N 6.80 -0.36 -0.58 1.32 0.00 -1.82 -3.46 119.26 121.16 2roq h ALA 201 Ca -0.40 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.52 2roq h ALA 201 Cb 1.20 0.14 -0.23 0.00 0.00 0.00 0.00 17.79 18.90 2roq h ALA 201 CO 0.76 -0.44 0.19 0.12 0.00 0.00 0.00 179.25 179.88 2roq s PHE 202 N -3.83 -0.59 0.39 0.00 2.19 -1.24 -4.84 117.98 110.07 2roq s PHE 202 Ca -0.12 0.79 -0.17 0.00 0.33 0.00 0.00 56.93 57.76 2roq s PHE 202 Cb 0.01 0.27 -0.09 0.00 -1.31 0.00 0.00 43.02 41.90 2roq s PHE 202 CO 0.45 -0.31 0.84 -0.51 1.83 0.00 0.00 175.22 177.52 2roq s LEU 203 N 2.68 3.95 -0.31 6.12 1.43 -1.21 -2.31 118.68 129.03 2roq s LEU 203 Ca -0.00 1.43 -0.00 0.00 -1.03 0.00 0.00 54.13 54.52 2roq s LEU 203 Cb -0.08 -4.27 0.06 0.00 0.03 0.00 0.00 46.19 41.93 2roq s LEU 203 CO -0.14 -0.32 0.01 -0.83 0.23 0.00 0.00 176.35 175.29 2roq s GLY 204 N -2.43 1.78 -0.39 -3.19 0.00 0.92 -1.44 107.32 102.57 2roq s GLY 204 Ca 0.57 -1.92 0.02 0.00 0.00 0.00 0.00 44.72 43.39 2roq s GLY 204 CO 0.19 0.74 0.16 1.08 0.00 0.00 0.00 173.10 175.27 2roq s LEU 205 N 1.18 3.20 -0.04 0.66 1.02 -0.57 -0.57 118.68 123.55 2roq s LEU 205 Ca -0.03 -2.31 0.03 0.00 0.02 0.00 0.00 54.13 51.84 2roq s LEU 205 Cb -0.20 -1.19 -0.03 0.00 0.02 0.00 0.00 46.19 44.79 2roq s LEU 205 CO -0.03 -0.33 -0.10 -0.22 0.02 0.00 0.00 176.35 175.70 2roq s LEU 206 N 0.73 2.99 -0.55 1.79 0.20 -1.24 -2.90 118.68 119.69 2roq s LEU 206 Ca 0.14 -0.12 -0.18 0.00 0.69 0.00 0.00 54.13 54.66 2roq s LEU 206 Cb -0.22 -1.65 0.02 0.00 -0.43 0.00 0.00 46.19 43.91 2roq s LEU 206 CO -0.09 0.34 0.64 0.47 -0.29 0.00 0.00 176.35 177.42 2roq n ASP 207 N 2.11 -6.75 0.06 3.68 9.92 -1.26 -3.89 116.55 120.41 2roq n ASP 207 Ca -0.17 -0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 2roq n ASP 207 Cb 0.53 -3.73 0.00 0.00 -0.64 0.00 0.00 41.12 37.27 2roq n ASP 207 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2roq n THR 208 N -0.88 0.00 -2.68 -3.53 -1.04 -1.26 -2.15 114.28 102.73 2roq n THR 208 Ca -0.03 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.94 2roq n THR 208 Cb 0.57 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.08 2roq n THR 208 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 2roq n TRP 209 N -2.73 -2.75 -2.10 -1.42 -0.00 -1.26 -4.90 117.44 102.28 2roq n TRP 209 Ca 0.00 1.09 -0.43 0.00 -0.00 0.00 0.00 57.50 58.16 2roq n TRP 209 Cb 0.00 -3.66 -0.03 0.00 -0.00 0.00 0.00 31.31 27.63 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2roq s PRO 210 N -2.56 3.57 0.33 5.87 0.04 -1.26 -4.86 135.00 136.12 2roq s PRO 210 Ca 0.14 1.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.57 2roq s PRO 210 Cb -0.04 -4.10 0.08 0.00 0.04 0.00 0.00 34.50 30.48 2roq s PRO 210 CO 0.63 -1.57 0.29 -0.35 0.04 0.00 0.00 177.00 176.05 2roq n PRO 211 N 8.04 -1.60 0.00 0.56 -0.04 -1.26 -5.04 135.00 135.66 2roq n PRO 211 Ca 0.20 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 2roq n PRO 211 Cb 0.46 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 2roq n PRO 211 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 212 N -2.40 0.56 0.00 0.54 1.02 -1.26 -4.93 120.64 114.16 2roq n GLU 212 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2roq n GLU 212 Cb 0.16 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 2roq n GLU 212 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2roq n THR 213 N -2.01 0.00 -3.78 2.62 5.66 -1.26 -5.07 114.28 110.43 2roq n THR 213 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2roq n THR 213 Cb 0.33 -0.50 -0.09 0.00 -1.55 0.00 0.00 70.33 68.53 2roq n THR 213 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2roq s GLN 214 N -1.71 0.66 0.89 1.09 0.74 -1.26 -5.16 119.66 114.90 2roq s GLN 214 Ca 0.00 -0.31 -0.15 0.00 0.05 0.00 0.00 55.36 54.96 2roq s GLN 214 Cb 0.00 0.29 0.23 0.00 1.10 0.00 0.00 33.01 34.62 2roq s GLN 214 CO 0.00 -0.18 0.51 0.09 -0.55 0.00 0.00 175.29 175.16 2roq n ASN 215 N 1.15 -3.26 0.08 6.67 4.13 -1.26 -4.69 115.26 118.08 2roq n ASN 215 Ca -0.21 -0.52 0.10 0.00 1.68 0.00 0.00 54.58 55.63 2roq n ASN 215 Cb 0.57 -0.60 -0.03 0.00 -1.54 0.00 0.00 39.78 38.18 2roq n ASN 215 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 2roq n TRP 216 N -4.66 0.87 0.16 3.10 4.27 -1.26 -3.92 117.44 116.00 2roq n TRP 216 Ca 0.08 0.26 0.12 0.00 -3.89 0.00 0.00 57.50 54.06 2roq n TRP 216 Cb 0.35 -0.93 0.08 0.00 -1.36 0.00 0.00 31.31 29.46 2roq n TRP 216 CO 0.00 0.00 0.00 -0.56 -2.29 0.00 0.00 177.69 174.84 2roq h GLN 217 N 0.00 0.00 -6.24 -2.67 -0.00 -1.92 -3.43 115.11 100.85 2roq h GLN 217 Ca -0.02 0.00 -0.47 0.00 -0.00 0.00 0.00 58.65 58.17 2roq h GLN 217 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.53 2roq h GLN 217 CO 0.00 0.00 -0.75 -1.91 -0.00 0.00 0.00 178.83 176.18 2roq n GLU 218 N -2.88 -5.83 -3.05 0.06 2.13 -1.25 -2.13 120.64 107.69 2roq n GLU 218 Ca 0.02 0.63 -0.13 0.00 0.66 0.00 0.00 57.16 58.34 2roq n GLU 218 Cb 0.54 -5.53 0.07 0.00 0.27 0.00 0.00 31.44 26.79 2roq n GLU 218 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2roq n LYS 219 N -4.72 -4.01 0.13 5.31 4.81 -1.26 -4.95 118.16 113.47 2roq n LYS 219 Ca 0.03 0.68 -0.14 0.00 -0.87 0.00 0.00 58.31 58.01 2roq n LYS 219 Cb 0.53 -5.10 -0.08 0.00 0.02 0.00 0.00 35.03 30.41 2roq n LYS 219 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2roq h GLU 220 N -1.28 -0.29 -2.13 1.64 4.39 -1.53 -3.36 114.58 112.02 2roq h GLU 220 Ca -0.47 0.02 -0.55 0.00 0.34 0.00 0.00 59.36 58.70 2roq h GLU 220 Cb 1.26 0.07 -0.41 0.00 -0.10 0.00 0.00 28.75 29.57 2roq h GLU 220 CO 0.38 -0.08 -0.89 0.00 -1.16 0.00 0.00 179.01 177.26 2roq n ALA 221 N -2.30 3.35 -0.16 3.43 0.00 0.18 -4.84 120.51 120.16 2roq n ALA 221 Ca -0.09 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.26 2roq n ALA 221 Cb 0.19 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2roq n ALA 221 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2roq n ASN 222 N 0.34 0.00 0.00 0.00 2.85 -1.26 -3.74 115.26 113.46 2roq n ASN 222 Ca 0.27 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 2roq n ASN 222 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roq n GLY 223 N -2.00 0.38 3.38 8.20 0.00 -1.26 -4.95 105.19 108.93 2roq n GLY 223 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2roq n GLY 223 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2roq s LEU 224 N 0.00 2.56 0.05 0.99 -0.00 -1.25 -4.59 118.68 116.44 2roq s LEU 224 Ca 0.00 -1.04 -0.12 0.00 -0.00 0.00 0.00 54.13 52.98 2roq s LEU 224 Cb 0.00 -0.76 -0.06 0.00 -0.00 0.00 0.00 46.19 45.37 2roq s LEU 224 CO 0.00 -0.14 0.40 -0.62 -0.00 0.00 0.00 176.35 175.99 2roq s ASP 225 N -3.37 6.70 0.00 1.48 2.15 -1.26 0.49 116.67 122.86 2roq s ASP 225 Ca 0.25 0.85 0.14 0.00 0.43 0.00 0.00 52.55 54.22 2roq s ASP 225 Cb -0.01 -2.20 0.64 0.00 -0.30 0.00 0.00 42.92 41.05 2roq s ASP 225 CO 0.09 0.23 1.43 -0.81 -0.17 0.00 0.00 175.17 175.95 2roq n PRO 226 N 1.27 0.07 -0.09 4.34 -0.04 -1.26 -1.08 135.00 138.21 2roq n PRO 226 Ca -0.10 0.22 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 2roq n PRO 226 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 2roq n PRO 226 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 227 N -1.43 0.68 0.09 0.54 1.02 -1.26 -3.70 120.64 116.58 2roq n GLU 227 Ca 0.05 0.13 -0.23 0.00 -0.02 0.00 0.00 57.16 57.09 2roq n GLU 227 Cb 0.15 -1.58 -0.15 0.00 -0.02 0.00 0.00 31.44 29.84 2roq n GLU 227 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2roq h VAL 228 N 0.01 1.16 0.00 2.62 3.04 -1.90 -3.05 116.25 118.12 2roq h VAL 228 Ca -0.51 -2.57 -0.05 0.00 -1.01 0.00 0.00 66.70 62.56 2roq h VAL 228 Cb 2.04 2.93 -0.01 0.00 -2.01 0.00 0.00 31.29 34.24 2roq h VAL 228 CO -0.01 0.80 -0.23 0.17 -1.01 0.00 0.00 177.57 177.30 2roq h LEU 229 N 0.01 0.00 0.02 3.16 8.10 -1.33 -2.12 115.31 123.14 2roq h LEU 229 Ca -0.28 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.61 2roq h LEU 229 Cb 2.03 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 42.26 2roq h LEU 229 CO 0.20 0.23 -0.39 0.00 -4.11 0.00 0.00 178.44 174.36 2roq h ALA 230 N 1.77 0.02 -0.22 0.17 0.00 -1.65 -2.13 119.26 117.23 2roq h ALA 230 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 2roq h ALA 230 Cb 0.66 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2roq h ALA 230 CO 0.03 0.18 0.06 1.05 0.00 0.00 0.00 179.25 180.57 2roq h GLU 231 N -0.42 0.34 0.00 0.00 4.11 -1.47 0.32 114.58 117.46 2roq h GLU 231 Ca -0.05 -0.08 -0.06 0.00 0.07 0.00 0.00 59.36 59.24 2roq h GLU 231 Cb 1.17 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2roq h GLU 231 CO 0.08 0.44 -0.27 -0.84 0.07 0.00 0.00 179.01 178.49 2roq h ILE 232 N 0.17 0.98 0.08 -1.06 3.07 -1.50 -2.09 117.51 117.16 2roq h ILE 232 Ca 0.07 -1.00 -0.28 0.00 1.55 0.00 0.00 64.86 65.19 2roq h ILE 232 Cb 0.25 1.58 0.03 0.00 -0.27 0.00 0.00 36.82 38.40 2roq h ILE 232 CO -0.00 0.27 -1.15 -1.13 -1.05 0.00 0.00 178.15 175.09 2roq h ASN 233 N 0.00 0.87 -0.42 2.16 -0.73 -1.06 -1.86 115.58 114.54 2roq h ASN 233 Ca -0.00 -0.80 -0.05 0.00 1.87 0.00 0.00 56.30 57.32 2roq h ASN 233 Cb 0.55 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 2roq h ASN 233 CO 0.04 1.57 0.06 -0.09 -0.37 0.00 0.00 177.43 178.64 2roq h ARG 234 N 0.27 0.70 0.00 6.67 2.43 -0.73 -1.28 114.38 122.44 2roq h ARG 234 Ca -0.17 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 2roq h ARG 234 Cb 1.82 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.28 2roq h ARG 234 CO 0.22 0.75 -0.18 1.49 -1.51 0.00 0.00 179.97 180.74 2roq h GLU 235 N 0.56 0.00 -0.01 0.20 4.57 -1.47 -2.04 114.58 116.38 2roq h GLU 235 Ca 0.13 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.16 2roq h GLU 235 Cb 0.39 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2roq h GLU 235 CO 0.01 0.18 -0.59 -0.09 -1.18 0.00 0.00 179.01 177.34 2roq h ARG 236 N 0.00 0.41 0.00 1.92 2.43 -1.00 -1.51 114.38 116.63 2roq h ARG 236 Ca -0.00 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2roq h ARG 236 Cb 0.89 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2roq h ARG 236 CO 0.02 1.09 0.00 1.05 -1.51 0.00 0.00 179.97 180.63 2roq h GLU 237 N -0.10 0.00 0.00 0.20 -0.00 -1.25 -1.76 114.58 111.67 2roq h GLU 237 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 2roq h GLU 237 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 2roq h GLU 237 CO 0.12 0.00 -1.12 0.00 -0.00 0.00 0.00 179.01 178.01 2roq n ALA 238 N -1.94 2.73 -0.06 1.06 0.00 -0.77 -3.62 120.51 117.92 2roq n ALA 238 Ca 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 2roq n ALA 238 Cb 0.46 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 2roq n ALA 238 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2roq n PHE 239 N -2.46 0.14 -0.35 0.00 7.35 -0.57 -4.30 117.46 117.26 2roq n PHE 239 Ca -0.00 0.06 0.13 0.00 -0.76 0.00 0.00 57.45 56.88 2roq n PHE 239 Cb 0.53 -0.39 0.33 0.00 0.35 0.00 0.00 39.48 40.30 2roq n PHE 239 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2roq h LEU 240 N -0.65 0.78 -0.44 -2.13 7.12 -1.54 -1.35 115.31 117.10 2roq h LEU 240 Ca 0.00 0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.19 2roq h LEU 240 Cb 0.58 -0.05 -0.09 0.00 -0.53 0.00 0.00 40.66 40.57 2roq h LEU 240 CO 0.00 0.28 -0.19 0.00 -0.13 0.00 0.00 178.44 178.40 2roq h ALA 241 N 1.64 0.14 -2.62 1.25 0.00 -1.73 -3.45 119.26 114.50 2roq h ALA 241 Ca 0.57 0.16 -0.32 0.00 0.00 0.00 0.00 54.91 55.32 2roq h ALA 241 Cb 0.89 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 2roq h ALA 241 CO -0.37 -0.54 -0.37 0.00 0.00 0.00 0.00 179.25 177.97 2roq n ALA 242 N -2.90 -0.53 -3.45 0.00 0.00 -0.51 -1.70 120.51 111.42 2roq n ALA 242 Ca 0.03 0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.47 2roq n ALA 242 Cb 0.29 -1.73 0.08 0.00 0.00 0.00 0.00 19.45 18.08 2roq n ALA 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2roq n GLN 243 N -2.57 -5.60 0.00 0.00 6.02 -1.26 -4.98 117.38 108.99 2roq n GLN 243 Ca -0.18 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 2roq n GLN 243 Cb 0.60 -5.72 0.00 0.00 1.02 0.00 0.00 30.24 26.14 2roq n GLN 243 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2roq n GLN 244 N -4.02 0.00 -0.58 -1.09 1.13 -0.69 -5.02 117.38 107.11 2roq n GLN 244 Ca -0.26 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 2roq n GLN 244 Cb 0.66 -0.49 0.00 0.00 0.11 0.00 0.00 30.24 30.52 2roq n GLN 244 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2roq n GLY 245 N 2.02 0.64 0.35 1.08 0.00 -1.26 -4.93 105.19 103.10 2roq n GLY 245 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2roq n GLY 245 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2roq n SER 246 N 1.05 2.40 -2.18 1.61 7.64 -1.26 -4.81 113.62 118.07 2roq n SER 246 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2roq n SER 246 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2roq n SER 246 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2roq n THR 247 N -2.54 2.85 1.70 0.44 -1.04 -1.26 -4.67 114.28 109.76 2roq n THR 247 Ca 0.00 -3.95 0.11 0.00 -2.04 0.00 0.00 64.05 58.17 2roq n THR 247 Cb 0.43 -1.16 0.54 0.00 -1.82 0.00 0.00 70.33 68.32 2roq n THR 247 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2roq n SER 248 N -0.74 0.70 -0.00 8.00 3.41 -1.26 -3.42 113.62 120.31 2roq n SER 248 Ca 0.49 -1.47 -0.01 0.00 -0.26 0.00 0.00 58.87 57.62 2roq n SER 248 Cb 0.83 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.74 2roq n SER 248 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2roq n THR 249 N -0.35 0.23 0.17 6.66 -2.24 -1.26 -4.43 114.28 113.05 2roq n THR 249 Ca 0.16 0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 62.06 2roq n THR 249 Cb 0.19 -1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 67.07 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2roq h GLU 250 N -0.06 -0.49 -0.39 -0.78 3.07 -1.91 -0.22 114.58 113.79 2roq h GLU 250 Ca 0.00 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.98 2roq h GLU 250 Cb 0.06 0.11 -0.09 0.00 -0.84 0.00 0.00 28.75 28.00 2roq h GLU 250 CO 0.00 -0.33 -0.26 1.25 -1.40 0.00 0.00 179.01 178.27 2roq h LEU 251 N -0.51 -0.86 -1.32 1.33 6.46 -1.89 0.13 115.31 118.65 2roq h LEU 251 Ca -0.04 0.17 0.20 0.00 -0.12 0.00 0.00 57.88 58.09 2roq h LEU 251 Cb 0.43 0.43 -0.08 0.00 -0.73 0.00 0.00 40.66 40.70 2roq h LEU 251 CO 0.01 -0.28 0.61 -0.26 -0.62 0.00 0.00 178.44 177.90 2roq h PHE 252 N -0.19 0.75 -0.12 1.25 -1.00 -1.62 0.23 116.94 116.25 2roq h PHE 252 Ca 0.19 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.88 2roq h PHE 252 Cb 0.49 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 2roq h PHE 252 CO -0.48 0.19 -0.42 1.15 -1.61 0.00 0.00 178.31 177.15 2roq h THR 253 N 0.56 1.31 -0.20 -1.55 2.02 0.11 0.31 112.91 115.47 2roq h THR 253 Ca 0.51 -1.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 2roq h THR 253 Cb 1.05 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 2roq h THR 253 CO -0.25 0.46 -0.07 0.71 0.37 0.00 0.00 175.52 176.74 2roq h THR 254 N 0.22 1.30 0.01 3.16 1.35 0.46 -2.13 112.91 117.27 2roq h THR 254 Ca 0.02 -1.10 -0.00 0.00 -0.55 0.00 0.00 66.41 64.78 2roq h THR 254 Cb 0.83 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2roq h THR 254 CO 0.07 0.33 -0.00 0.40 -0.25 0.00 0.00 175.52 176.06 2roq h ILE 255 N 0.10 1.58 -0.72 6.82 2.04 -1.33 -1.87 117.51 124.12 2roq h ILE 255 Ca 0.05 -2.01 0.16 0.00 1.00 0.00 0.00 64.86 64.05 2roq h ILE 255 Cb 0.54 2.90 -0.11 0.00 -0.74 0.00 0.00 36.82 39.41 2roq h ILE 255 CO 0.02 0.50 0.17 -0.08 0.00 0.00 0.00 178.15 178.77 2roq h GLU 256 N -0.91 0.26 0.00 2.37 4.22 -0.49 0.26 114.58 120.29 2roq h GLU 256 Ca -0.00 -0.02 -0.18 0.00 0.08 0.00 0.00 59.36 59.24 2roq h GLU 256 Cb 0.83 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2roq h GLU 256 CO 0.00 0.17 -0.86 0.78 -2.18 0.00 0.00 179.01 176.92 2roq h GLY 257 N 0.27 0.01 0.61 1.92 0.00 -1.49 -2.13 103.07 102.25 2roq h GLY 257 Ca 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2roq h GLY 257 CO -0.50 0.02 -0.12 -0.57 0.00 0.00 0.00 176.54 175.37 2roq h ASN 258 N 0.01 -0.29 0.06 0.19 -1.24 -0.14 -2.12 115.58 112.04 2roq h ASN 258 Ca -0.01 -0.22 -0.09 0.00 0.71 0.00 0.00 56.30 56.68 2roq h ASN 258 Cb 1.52 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.64 2roq h ASN 258 CO 0.11 0.11 -0.29 0.10 -1.29 0.00 0.00 177.43 176.17 2roq h TYR 259 N -0.74 0.40 -0.09 0.67 -0.00 -0.67 -2.11 116.97 114.44 2roq h TYR 259 Ca -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 58.73 58.61 2roq h TYR 259 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 36.73 37.12 2roq h TYR 259 CO 0.04 0.62 0.05 0.00 -0.00 0.00 0.00 178.16 178.87 2roq h ALA 260 N 1.38 0.11 -0.27 0.10 0.00 -1.39 0.26 119.26 119.45 2roq h ALA 260 Ca 0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2roq h ALA 260 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2roq h ALA 260 CO 0.05 -0.35 -0.24 -0.44 0.00 0.00 0.00 179.25 178.28 2roq h ASP 261 N 0.05 0.52 -0.26 0.00 3.32 -1.30 -1.07 116.42 117.67 2roq h ASP 261 Ca 0.03 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 2roq h ASP 261 Cb 0.08 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 2roq h ASP 261 CO -0.00 0.75 -0.36 0.00 -1.72 0.00 0.00 179.24 177.90 2roq h ALA 262 N 1.29 0.39 0.00 3.45 0.00 -1.12 0.36 119.26 123.64 2roq h ALA 262 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2roq h ALA 262 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2roq h ALA 262 CO 0.05 0.47 0.00 1.55 0.00 0.00 0.00 179.25 181.31 2roq n VAL 263 N -4.22 0.35 -0.01 0.00 3.14 0.88 -1.62 118.33 116.85 2roq n VAL 263 Ca -0.05 0.04 0.08 0.00 -2.96 0.00 0.00 64.34 61.45 2roq n VAL 263 Cb 0.52 -0.66 -0.12 0.00 -1.06 0.00 0.00 33.84 32.51 2roq n VAL 263 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2roq n ARG 264 N -1.63 0.47 0.00 1.45 0.00 -0.42 -4.07 116.66 112.47 2roq n ARG 264 Ca 0.06 -0.14 0.10 0.00 -0.00 0.00 0.00 57.85 57.87 2roq n ARG 264 Cb 0.30 -1.37 -0.07 0.00 0.00 0.00 0.00 32.46 31.32 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2roq n LEU 265 N -2.04 1.11 0.06 6.15 -0.00 0.13 -4.19 117.00 118.22 2roq n LEU 265 Ca -0.03 -0.50 0.07 0.00 -0.00 0.00 0.00 56.01 55.55 2roq n LEU 265 Cb 0.41 -0.02 0.31 0.00 -0.00 0.00 0.00 43.42 44.11 2roq n LEU 265 CO 0.33 0.26 0.71 0.00 -0.00 0.00 0.00 177.39 178.68 2roq n LEU 266 N -1.28 0.24 -0.02 1.47 -0.00 -0.64 -0.18 117.00 116.59 2roq n LEU 266 Ca 0.05 0.58 -0.02 0.00 -0.00 0.00 0.00 56.01 56.62 2roq n LEU 266 Cb 0.35 -0.58 -0.13 0.00 -0.00 0.00 0.00 43.42 43.07 2roq n LEU 266 CO 0.40 -0.52 -0.66 1.07 -0.00 0.00 0.00 177.39 177.68 2roq n THR 267 N -1.79 1.11 0.37 1.47 5.66 -1.26 -4.24 114.28 115.61 2roq n THR 267 Ca 0.01 -0.73 0.11 0.00 -3.05 0.00 0.00 64.05 60.39 2roq n THR 267 Cb 0.11 -0.57 -0.10 0.00 -1.55 0.00 0.00 70.33 68.21 2roq n THR 267 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2roq n THR 268 N -2.76 0.09 -0.40 1.09 5.66 -0.64 -4.94 114.28 112.37 2roq n THR 268 Ca -0.17 -0.33 -0.26 0.00 -3.05 0.00 0.00 64.05 60.24 2roq n THR 268 Cb 0.92 0.25 0.23 0.00 -1.55 0.00 0.00 70.33 70.19 2roq n THR 268 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roq n ALA 269 N -1.98 -3.37 -2.70 1.79 0.00 0.75 -5.04 120.51 109.96 2roq n ALA 269 Ca -0.00 -1.50 -0.19 0.00 0.00 0.00 0.00 53.44 51.75 2roq n ALA 269 Cb 0.48 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 2roq n ALA 269 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2roq s HIS 270 N -2.15 1.19 -0.29 0.00 3.76 -1.26 -5.05 115.29 111.49 2roq s HIS 270 Ca 0.56 -0.43 -0.37 0.00 -0.15 0.00 0.00 55.06 54.68 2roq s HIS 270 Cb -0.12 -0.68 0.16 0.00 1.11 0.00 0.00 32.58 33.05 2roq s HIS 270 CO 0.51 0.04 1.38 -1.54 -0.85 0.00 0.00 174.74 174.28 2roq s SER 271 N -1.56 -0.02 -0.08 1.40 1.04 -1.26 -4.89 113.70 108.33 2roq s SER 271 Ca -0.01 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.46 2roq s SER 271 Cb -0.09 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 2roq s SER 271 CO 0.02 -0.03 -0.21 -0.69 0.98 0.00 0.00 173.24 173.32 2roq s VAL 272 N -1.86 2.42 0.76 5.02 1.01 -1.26 -4.95 120.40 121.54 2roq s VAL 272 Ca 0.11 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 2roq s VAL 272 Cb -0.01 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.48 2roq s VAL 272 CO -0.03 0.56 1.09 -2.16 0.00 0.00 0.00 175.10 174.56 2roq s PRO 273 N 0.02 2.32 0.04 2.72 0.04 -1.26 -4.06 135.00 134.81 2roq s PRO 273 Ca -0.07 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.20 2roq s PRO 273 Cb -0.15 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2roq s PRO 273 CO 0.05 -1.60 -0.12 0.12 0.04 0.00 0.00 177.00 175.49 2roq s PHE 274 N -2.83 1.04 -0.63 0.56 5.36 -1.26 -4.90 117.98 115.32 2roq s PHE 274 Ca 0.62 -0.38 0.06 0.00 -0.96 0.00 0.00 56.93 56.27 2roq s PHE 274 Cb -0.18 -0.61 0.27 0.00 -0.34 0.00 0.00 43.02 42.16 2roq s PHE 274 CO 0.54 0.01 0.79 -0.25 -1.46 0.00 0.00 175.22 174.85 2roq n ASP 275 N 1.80 3.92 0.00 6.13 8.00 -1.26 -4.90 116.55 130.24 2roq n ASP 275 Ca -0.19 -3.50 0.00 0.00 0.71 0.00 0.00 54.79 51.81 2roq n ASP 275 Cb 0.55 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2roq n GLY 276 N 0.62 2.29 2.78 0.44 0.00 -1.26 -4.24 105.19 105.81 2roq n GLY 276 Ca 0.30 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2roq n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roq s LYS 277 N 2.78 0.88 0.12 1.61 1.02 -1.26 -2.19 119.74 122.70 2roq s LYS 277 Ca 0.00 -0.67 -0.09 0.00 0.02 0.00 0.00 55.97 55.23 2roq s LYS 277 Cb 0.00 -2.20 -0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2roq s LYS 277 CO 0.00 -0.70 0.24 0.00 -0.92 0.00 0.00 175.35 173.97 2roq s ALA 278 N 1.71 -0.16 -0.23 5.17 0.00 -1.22 -3.35 121.76 123.67 2roq s ALA 278 Ca -0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 2roq s ALA 278 Cb -0.18 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 2roq s ALA 278 CO -0.11 -0.57 0.20 0.95 0.00 0.00 0.00 175.76 176.23 2roq s THR 279 N -3.90 5.33 0.06 0.00 -4.23 -0.52 -3.46 115.64 108.92 2roq s THR 279 Ca 0.10 0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.99 2roq s THR 279 Cb 0.04 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.31 2roq s THR 279 CO -0.06 0.33 -0.26 -0.22 -0.54 0.00 0.00 174.62 173.87 2roq s LEU 280 N 1.05 2.20 0.13 4.79 2.96 -1.22 -1.52 118.68 127.07 2roq s LEU 280 Ca 0.10 -0.62 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 2roq s LEU 280 Cb -0.14 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 2roq s LEU 280 CO 0.05 0.23 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.79 2roq s PHE 281 N -0.86 1.48 -0.23 5.38 0.40 -1.14 -3.44 117.98 119.56 2roq s PHE 281 Ca 0.12 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 2roq s PHE 281 Cb -0.10 -0.77 0.05 0.00 0.51 0.00 0.00 43.02 42.71 2roq s PHE 281 CO 0.03 0.17 -0.14 0.14 0.70 0.00 0.00 175.22 176.12 2roq s VAL 282 N -2.06 2.16 -1.11 -0.44 -7.23 -1.18 -4.13 120.40 106.41 2roq s VAL 282 Ca 0.10 -1.38 -0.23 0.00 -1.81 0.00 0.00 61.98 58.65 2roq s VAL 282 Cb -0.05 -2.15 -0.07 0.00 0.56 0.00 0.00 36.38 34.67 2roq s VAL 282 CO 0.04 0.17 1.92 0.00 -0.31 0.00 0.00 175.10 176.92 2roq s ALA 283 N 1.17 1.84 0.61 1.32 0.00 -1.26 -3.23 121.76 122.21 2roq s ALA 283 Ca -0.04 -2.02 0.35 0.00 0.00 0.00 0.00 51.96 50.25 2roq s ALA 283 Cb -0.18 -4.64 2.01 0.00 0.00 0.00 0.00 23.12 20.32 2roq s ALA 283 CO -0.08 -5.01 2.29 0.93 0.00 0.00 0.00 175.76 173.89 2roq h GLU 284 N 10.05 0.00 -0.73 0.00 4.39 -1.23 0.26 114.58 127.33 2roq h GLU 284 Ca 0.19 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.99 2roq h GLU 284 Cb 0.95 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 2roq h GLU 284 CO 1.23 0.01 0.48 0.00 -1.16 0.00 0.00 179.01 179.57 2roq h ARG 285 N 0.00 0.61 0.00 2.33 2.47 -1.72 -3.03 114.38 115.04 2roq h ARG 285 Ca -0.00 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 2roq h ARG 285 Cb 0.02 -0.14 -0.12 0.00 -1.65 0.00 0.00 29.97 28.08 2roq h ARG 285 CO 0.00 0.41 -0.59 0.25 0.56 0.00 0.00 179.97 180.59 2roq n THR 286 N -4.49 0.49 -1.65 2.04 -2.24 -0.69 -4.95 114.28 102.78 2roq n THR 286 Ca 0.12 -0.96 -0.50 0.00 -2.27 0.00 0.00 64.05 60.44 2roq n THR 286 Cb 0.34 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.99 2roq n THR 286 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2roq n LEU 287 N -0.16 2.56 0.01 3.22 4.77 0.85 -4.85 117.00 123.39 2roq n LEU 287 Ca 0.06 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2roq n LEU 287 Cb 0.83 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2roq n LEU 287 CO -0.01 -0.52 -0.35 1.67 -1.33 0.00 0.00 177.39 176.84 2roq n GLN 288 N 4.04 0.00 -0.97 3.23 7.27 -1.26 -4.77 117.38 124.92 2roq n GLN 288 Ca 0.20 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 57.10 2roq n GLN 288 Cb 0.23 -0.39 0.16 0.00 2.41 0.00 0.00 30.24 32.65 2roq n GLN 288 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2roq n GLU 289 N -2.96 2.20 -0.05 3.69 4.07 -1.26 -4.14 120.64 122.19 2roq n GLU 289 Ca 0.00 -2.44 -0.05 0.00 -0.06 0.00 0.00 57.16 54.61 2roq n GLU 289 Cb 0.35 -1.97 -0.08 0.00 -0.06 0.00 0.00 31.44 29.69 2roq n GLU 289 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2roq n GLY 290 N -0.71 -0.44 3.63 8.31 0.00 -1.26 -4.95 105.19 109.76 2roq n GLY 290 Ca 0.46 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 2roq n GLY 290 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2roq s MET 291 N -2.24 3.77 -0.21 1.61 -1.94 -1.26 -4.93 119.30 114.10 2roq s MET 291 Ca -0.07 1.60 -0.36 0.00 -1.71 0.00 0.00 55.69 55.15 2roq s MET 291 Cb 0.03 -4.03 0.14 0.00 2.01 0.00 0.00 34.83 32.98 2roq s MET 291 CO 0.39 -1.32 1.27 -1.54 -0.01 0.00 0.00 175.02 173.81 2roq s SER 292 N 4.22 -0.09 0.81 3.03 1.04 -1.26 -5.10 113.70 116.35 2roq s SER 292 Ca 0.70 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 57.02 2roq s SER 292 Cb -0.24 0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.06 2roq s SER 292 CO 0.29 -0.16 1.09 -2.16 0.98 0.00 0.00 173.24 173.28 2roq s PRO 293 N -2.29 1.95 0.00 4.02 0.04 -1.26 -5.00 135.00 132.46 2roq s PRO 293 Ca 0.10 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2roq s PRO 293 Cb -0.01 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2roq s PRO 293 CO -0.04 -1.83 0.00 0.39 0.04 0.00 0.00 177.00 175.56 2roq n GLU 294 N -3.63 0.00 -3.30 4.56 4.71 -1.26 -5.09 120.64 116.63 2roq n GLU 294 Ca 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.12 2roq n GLU 294 Cb 0.54 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.98 2roq n GLU 294 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2roq n ARG 295 N -2.12 -1.50 -2.55 3.49 0.63 -1.26 -4.28 116.66 109.07 2roq n ARG 295 Ca 0.00 1.12 -0.04 0.00 -0.92 0.00 0.00 57.85 58.02 2roq n ARG 295 Cb 0.00 -4.98 0.00 0.00 0.45 0.00 0.00 32.46 27.93 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2roq n ALA 296 N -2.50 -3.18 -3.23 5.13 0.00 -1.26 -5.07 120.51 110.39 2roq n ALA 296 Ca -0.08 0.73 0.04 0.00 0.00 0.00 0.00 53.44 54.13 2roq n ALA 296 Cb 0.56 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 2roq n ALA 296 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2roq s TRP 297 N -1.90 -0.49 0.26 0.00 0.23 -1.26 -5.18 118.94 110.60 2roq s TRP 297 Ca 0.12 0.67 0.07 0.00 -2.03 0.00 0.00 56.10 54.93 2roq s TRP 297 Cb -0.03 0.23 -0.03 0.00 0.03 0.00 0.00 33.47 33.66 2roq s TRP 297 CO 0.63 -0.26 0.23 -1.54 0.96 0.00 0.00 176.95 176.97 2roq s SER 298 N 2.63 5.61 1.03 2.95 1.04 -1.26 -4.99 113.70 120.71 2roq s SER 298 Ca -0.01 -0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 2roq s SER 298 Cb -0.07 -1.42 0.03 0.00 0.10 0.00 0.00 66.02 64.66 2roq s SER 298 CO -0.14 -0.08 0.12 -0.81 0.98 0.00 0.00 173.24 173.32 2roq n PRO 299 N -1.23 -1.27 -1.43 4.02 -0.04 -1.26 -4.92 135.00 128.87 2roq n PRO 299 Ca -0.07 -0.20 -0.30 0.00 -0.04 0.00 0.00 63.50 62.89 2roq n PRO 299 Cb 0.58 -0.19 0.02 0.00 -0.04 0.00 0.00 33.50 33.88 2roq n PRO 299 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2roq n TRP 300 N -2.78 2.35 -4.35 0.54 -0.00 -1.26 -4.94 117.44 107.00 2roq n TRP 300 Ca 0.02 -2.32 -0.32 0.00 -0.00 0.00 0.00 57.50 54.88 2roq n TRP 300 Cb 0.07 -1.26 -0.09 0.00 -0.00 0.00 0.00 31.31 30.02 2roq n TRP 300 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 177.69 176.19 2roq s ILE 301 N -3.63 3.97 0.04 5.87 1.10 -1.26 -4.92 121.20 122.37 2roq s ILE 301 Ca 0.53 -0.66 -0.26 0.00 -0.51 0.00 0.00 60.65 59.74 2roq s ILE 301 Cb 0.40 -2.75 -0.15 0.00 0.15 0.00 0.00 42.46 40.11 2roq s ILE 301 CO -0.17 0.39 1.38 0.00 -2.11 0.00 0.00 174.94 174.42 2roq h ALA 302 N 4.42 -1.24 -1.68 1.50 0.00 -1.75 -3.47 119.26 117.05 2roq h ALA 302 Ca -0.49 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.28 2roq h ALA 302 Cb 1.17 0.37 -0.25 0.00 0.00 0.00 0.00 17.79 19.08 2roq h ALA 302 CO 0.56 -1.17 0.33 -1.21 0.00 0.00 0.00 179.25 177.76 2roq s GLU 303 N -5.05 0.53 0.27 0.00 2.02 -0.93 -5.04 118.70 110.51 2roq s GLU 303 Ca -0.14 0.75 -0.21 0.00 0.02 0.00 0.00 54.97 55.39 2roq s GLU 303 Cb 0.01 0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.46 2roq s GLU 303 CO 0.42 -0.08 0.71 -0.48 0.02 0.00 0.00 175.26 175.84 2roq s LEU 304 N 0.82 -0.27 -0.49 1.80 0.05 -1.26 -3.46 118.68 115.86 2roq s LEU 304 Ca -0.03 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 53.58 2roq s LEU 304 Cb -0.05 2.71 0.13 0.00 -2.05 0.00 0.00 46.19 46.94 2roq s LEU 304 CO -0.10 -1.32 0.26 -0.62 -0.55 0.00 0.00 176.35 174.01 2roq s ASP 305 N -2.91 4.86 -0.14 1.48 2.15 -1.22 -5.01 116.67 115.89 2roq s ASP 305 Ca 0.10 -2.60 -0.19 0.00 0.43 0.00 0.00 52.55 50.30 2roq s ASP 305 Cb -0.06 -1.74 -0.04 0.00 -0.30 0.00 0.00 42.92 40.79 2roq s ASP 305 CO 0.06 -0.36 0.52 0.27 -0.17 0.00 0.00 175.17 175.48 2roq s ILE 306 N 0.30 5.15 -0.06 4.11 -4.36 -1.26 -3.39 121.20 121.69 2roq s ILE 306 Ca 0.14 1.02 0.03 0.00 -0.26 0.00 0.00 60.65 61.58 2roq s ILE 306 Cb -0.22 -3.85 0.00 0.00 1.25 0.00 0.00 42.46 39.64 2roq s ILE 306 CO -0.03 0.27 -0.15 -0.47 0.24 0.00 0.00 174.94 174.79 2roq s TYR 307 N 0.94 1.65 -0.29 1.37 6.14 -1.22 -5.05 117.35 120.88 2roq s TYR 307 Ca 0.27 -0.55 -0.22 0.00 0.64 0.00 0.00 57.07 57.21 2roq s TYR 307 Cb -0.15 -1.15 -0.00 0.00 0.42 0.00 0.00 41.96 41.07 2roq s TYR 307 CO 0.11 -0.23 0.73 -0.98 0.64 0.00 0.00 175.55 175.82 2roq s ARG 308 N 0.32 3.98 -0.12 4.97 3.03 -1.26 -3.08 118.95 126.80 2roq s ARG 308 Ca -0.10 0.54 -0.10 0.00 2.03 0.00 0.00 55.73 58.10 2roq s ARG 308 Cb -0.14 -3.71 0.04 0.00 -1.03 0.00 0.00 34.95 30.11 2roq s ARG 308 CO 0.03 -0.60 0.31 1.14 -1.13 0.00 0.00 175.30 175.06 2roq s GLN 309 N 2.80 0.35 -0.91 3.89 -2.07 -1.20 -5.02 119.66 117.50 2roq s GLN 309 Ca 0.30 0.48 -0.25 0.00 -1.82 0.00 0.00 55.36 54.08 2roq s GLN 309 Cb -0.15 0.12 0.04 0.00 -1.09 0.00 0.00 33.01 31.93 2roq s GLN 309 CO 0.11 -0.07 1.38 0.16 -1.32 0.00 0.00 175.29 175.55 2roq s ASP 310 N 0.44 6.36 0.15 12.60 -4.77 -1.26 -0.95 116.67 129.25 2roq s ASP 310 Ca -0.02 -1.06 -0.12 0.00 -3.30 0.00 0.00 52.55 48.05 2roq s ASP 310 Cb -0.04 -2.56 0.01 0.00 -1.09 0.00 0.00 42.92 39.24 2roq s ASP 310 CO -0.02 -1.64 0.35 0.00 0.70 0.00 0.00 175.17 174.56 2roq s ALA 312 N -3.89 3.06 0.43 0.00 0.00 -1.26 -3.91 121.76 116.18 2roq s ALA 312 Ca 0.10 -2.24 0.15 0.00 0.00 0.00 0.00 51.96 49.97 2roq s ALA 312 Cb 0.02 0.14 1.04 0.00 0.00 0.00 0.00 23.12 24.33 2roq s ALA 312 CO -0.05 -0.08 1.94 0.45 0.00 0.00 0.00 175.76 178.02 2roq h HIS 313 N 1.86 0.47 0.00 0.00 3.86 -1.96 0.27 115.15 119.65 2roq h HIS 313 Ca -0.43 0.01 -0.36 0.00 -1.16 0.00 0.00 60.37 58.43 2roq h HIS 313 Cb 1.24 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 29.49 2roq h HIS 313 CO 0.73 0.20 -2.36 1.33 0.86 0.00 0.00 177.93 178.68 2roq n VAL 314 N -4.47 1.37 1.29 2.45 0.24 -1.26 -4.17 118.33 113.76 2roq n VAL 314 Ca 0.13 -0.82 0.13 0.00 -2.04 0.00 0.00 64.34 61.73 2roq n VAL 314 Cb 0.48 -0.53 0.67 0.00 -1.47 0.00 0.00 33.84 32.98 2roq n VAL 314 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2roq n ASP 315 N -2.77 0.00 -0.01 -1.34 9.92 -0.95 -2.68 116.55 118.72 2roq n ASP 315 Ca -0.33 -0.21 0.10 0.00 -0.53 0.00 0.00 54.79 53.82 2roq n ASP 315 Cb 1.13 -0.24 -0.14 0.00 -0.64 0.00 0.00 41.12 41.24 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2roq n ILE 316 N -1.24 0.00 0.01 0.53 3.06 0.91 -4.22 119.36 118.41 2roq n ILE 316 Ca 0.13 -0.28 0.05 0.00 -2.50 0.00 0.00 62.75 60.16 2roq n ILE 316 Cb 0.18 0.45 0.24 0.00 0.54 0.00 0.00 39.64 41.06 2roq n ILE 316 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2roq n ILE 317 N -1.89 1.43 -2.69 9.51 0.13 -1.09 -4.61 119.36 120.15 2roq n ILE 317 Ca -0.00 -0.80 -0.26 0.00 -1.10 0.00 0.00 62.75 60.58 2roq n ILE 317 Cb 0.44 -0.19 0.01 0.00 -0.84 0.00 0.00 39.64 39.06 2roq n ILE 317 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 2roq s SER 318 N -0.62 6.03 0.00 9.51 0.01 -1.26 -4.96 113.70 122.42 2roq s SER 318 Ca 0.33 0.74 0.15 0.00 1.31 0.00 0.00 55.95 58.48 2roq s SER 318 Cb 0.23 -1.99 0.79 0.00 0.21 0.00 0.00 66.02 65.26 2roq s SER 318 CO 0.13 -0.69 1.40 -0.81 0.41 0.00 0.00 173.24 173.67 2roq n PRO 319 N -2.28 0.27 -0.03 12.44 -0.04 -1.26 -2.57 135.00 141.53 2roq n PRO 319 Ca 0.01 0.11 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 2roq n PRO 319 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2roq n PRO 319 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 320 N -0.02 -0.97 0.16 0.55 0.00 -1.26 -3.58 105.19 100.07 2roq n GLY 320 Ca 0.08 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2roq n GLY 320 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2roq h THR 321 N 0.00 1.33 -0.09 2.61 1.35 -1.77 -2.12 112.91 114.22 2roq h THR 321 Ca -0.33 -2.42 -0.07 0.00 -0.55 0.00 0.00 66.41 63.04 2roq h THR 321 Cb 2.04 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 71.22 2roq h THR 321 CO 0.07 0.72 -0.27 -0.26 -0.25 0.00 0.00 175.52 175.54 2roq h PHE 322 N 0.13 0.17 0.00 4.73 0.04 -1.73 -2.03 116.94 118.24 2roq h PHE 322 Ca -0.17 -0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.41 2roq h PHE 322 Cb 1.80 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.88 2roq h PHE 322 CO 0.13 0.42 -0.89 1.05 -0.60 0.00 0.00 178.31 178.42 2roq h GLU 323 N 0.14 0.00 -0.01 1.51 4.11 -1.61 -3.35 114.58 115.37 2roq h GLU 323 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 2roq h GLU 323 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2roq h GLU 323 CO 0.04 0.63 -0.02 -0.22 0.07 0.00 0.00 179.01 179.51 2roq h LYS 324 N 0.00 0.03 -2.88 1.06 3.64 -0.98 -3.34 116.57 114.10 2roq h LYS 324 Ca -0.05 -0.02 -0.80 0.00 -1.27 0.00 0.00 60.65 58.51 2roq h LYS 324 Cb 1.58 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 33.15 2roq h LYS 324 CO 0.08 0.58 1.01 0.44 -2.27 0.00 0.00 179.45 179.29 2roq n ILE 325 N -4.79 5.35 0.00 2.00 -5.35 -0.80 -4.77 119.36 111.00 2roq n ILE 325 Ca -0.09 -5.74 0.00 0.00 -0.27 0.00 0.00 62.75 56.66 2roq n ILE 325 Cb 0.29 -2.03 0.00 0.00 -1.74 0.00 0.00 39.64 36.16 2roq n ILE 325 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2roq n GLY 326 N 1.29 -0.49 0.00 3.28 0.00 -1.26 -3.65 105.19 104.37 2roq n GLY 326 Ca 0.31 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.40 2roq n GLY 326 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2roq n PRO 327 N -2.27 0.11 -0.05 1.61 -0.04 -1.26 -1.66 135.00 131.44 2roq n PRO 327 Ca 0.00 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2roq n PRO 327 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2roq n PRO 327 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2roq n ILE 328 N -1.38 1.54 0.01 0.52 0.00 -1.26 -3.47 119.36 115.32 2roq n ILE 328 Ca 0.05 -0.79 -0.07 0.00 0.00 0.00 0.00 62.75 61.94 2roq n ILE 328 Cb 0.14 -0.93 -0.12 0.00 0.00 0.00 0.00 39.64 38.73 2roq n ILE 328 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 2roq h ILE 329 N 0.01 1.06 -0.04 9.51 -0.00 -1.55 -3.13 117.51 123.36 2roq h ILE 329 Ca -0.41 -2.83 -0.11 0.00 -0.00 0.00 0.00 64.86 61.51 2roq h ILE 329 Cb 2.09 2.50 0.01 0.00 -0.00 0.00 0.00 36.82 41.42 2roq h ILE 329 CO 0.05 0.60 -0.41 -0.09 -0.00 0.00 0.00 178.15 178.30 2roq h ARG 330 N 0.00 0.35 -0.13 2.19 2.43 -1.51 -2.14 114.38 115.58 2roq h ARG 330 Ca -0.19 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 58.58 2roq h ARG 330 Cb 1.89 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.50 2roq h ARG 330 CO 0.09 0.98 -0.28 0.00 -1.51 0.00 0.00 179.97 179.26 2roq h ALA 331 N 0.38 1.30 -0.13 2.80 0.00 -1.71 0.26 119.26 122.16 2roq h ALA 331 Ca -0.04 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2roq h ALA 331 Cb 1.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2roq h ALA 331 CO 0.08 0.48 -0.56 1.79 0.00 0.00 0.00 179.25 181.04 2roq h THR 332 N 0.21 1.34 0.00 0.00 1.35 -1.57 -1.44 112.91 112.80 2roq h THR 332 Ca 0.03 -1.84 -0.10 0.00 -0.55 0.00 0.00 66.41 63.95 2roq h THR 332 Cb 0.60 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 2roq h THR 332 CO 0.04 0.56 -0.48 -0.07 -0.25 0.00 0.00 175.52 175.33 2roq h LEU 333 N 0.26 0.00 0.00 3.87 3.38 -1.25 -2.12 115.31 119.44 2roq h LEU 333 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2roq h LEU 333 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2roq h LEU 333 CO 0.12 0.48 -0.36 -1.13 0.09 0.00 0.00 178.44 177.64 2roq h ASN 334 N 0.00 0.00 0.23 -0.43 -1.24 -0.48 -2.14 115.58 111.52 2roq h ASN 334 Ca -0.00 -0.06 -0.32 0.00 0.71 0.00 0.00 56.30 56.62 2roq h ASN 334 Cb 1.29 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.28 2roq h ASN 334 CO 0.06 0.03 -2.05 -2.11 -1.29 0.00 0.00 177.43 172.07 2roq n ARG 335 N -2.49 0.66 0.02 6.67 1.85 -0.54 -4.24 116.66 118.59 2roq n ARG 335 Ca 0.04 0.12 -0.06 0.00 -1.00 0.00 0.00 57.85 56.95 2roq n ARG 335 Cb 0.48 -1.65 -0.11 0.00 -1.05 0.00 0.00 32.46 30.13 2roq n ARG 335 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 2roq h LEU 336 N 0.00 0.00 -2.06 2.89 8.10 -1.47 -3.32 115.31 119.46 2roq h LEU 336 Ca -0.41 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.56 2roq h LEU 336 Cb 2.09 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 42.31 2roq h LEU 336 CO 0.05 0.89 -0.08 1.05 -4.11 0.00 0.00 178.44 176.24 2roq h GLU 337 N 0.00 0.00 -5.05 0.17 4.11 -1.57 -3.47 114.58 108.76 2roq h GLU 337 Ca -0.19 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.02 2roq h GLU 337 Cb 1.84 0.00 0.16 0.00 0.50 0.00 0.00 28.75 31.26 2roq h GLU 337 CO 0.08 0.08 -0.71 1.58 0.07 0.00 0.00 179.01 180.11 2roq n HIS 338 N -3.98 -2.03 -3.17 2.06 -0.00 -1.25 -5.03 115.22 101.82 2roq n HIS 338 Ca -0.03 0.73 0.04 0.00 -0.00 0.00 0.00 57.72 58.47 2roq n HIS 338 Cb 0.17 -4.00 -0.01 0.00 -0.00 0.00 0.00 29.99 26.15 2roq n HIS 338 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2roq s HIS 339 N -3.32 -1.38 1.06 1.57 5.04 -1.26 -5.15 115.29 111.85 2roq s HIS 339 Ca 0.32 1.50 -0.12 0.00 -1.54 0.00 0.00 55.06 55.22 2roq s HIS 339 Cb -0.04 0.50 0.22 0.00 0.04 0.00 0.00 32.58 33.30 2roq s HIS 339 CO 0.62 -0.75 1.07 -3.38 -2.34 0.00 0.00 174.74 169.95 2roq s HIS 340 N 2.88 1.74 -0.22 3.88 -3.43 -1.26 -4.98 115.29 113.90 2roq s HIS 340 Ca 0.16 1.18 -0.28 0.00 -0.80 0.00 0.00 55.06 55.31 2roq s HIS 340 Cb -0.14 -3.18 0.15 0.00 -1.43 0.00 0.00 32.58 27.98 2roq s HIS 340 CO -0.19 -3.29 1.12 -1.58 -2.00 0.00 0.00 174.74 168.81 2roq s HIS 341 N -2.70 -0.29 -0.24 0.38 5.04 -1.26 -5.15 115.29 111.08 2roq s HIS 341 Ca 0.67 0.56 -0.09 0.00 -1.54 0.00 0.00 55.06 54.66 2roq s HIS 341 Cb -0.22 0.45 -0.04 0.00 0.04 0.00 0.00 32.58 32.81 2roq s HIS 341 CO 0.61 -0.22 0.11 -1.01 -2.34 0.00 0.00 174.74 171.88 2roq s HIS 342 N -0.72 3.19 -2.00 3.88 3.76 -1.26 -5.28 115.29 116.87 2roq s HIS 342 Ca 0.02 -0.07 0.05 0.00 -0.15 0.00 0.00 55.06 54.91 2roq s HIS 342 Cb -0.02 -2.23 0.29 0.00 1.11 0.00 0.00 32.58 31.73 2roq s HIS 342 CO -0.04 -0.11 0.76 -2.39 -0.85 0.00 0.00 174.74 172.12