#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq n LEU 2 N 0.00 -2.41 -4.68 4.03 -0.00 -1.26 -5.13 117.00 107.55 2roq n LEU 2 Ca 0.00 -3.50 -0.42 0.00 -0.00 0.00 0.00 56.01 52.09 2roq n LEU 2 Cb 0.00 0.77 -0.03 0.00 -0.00 0.00 0.00 43.42 44.16 2roq n LEU 2 CO 0.00 1.99 1.18 -2.16 -0.00 0.00 0.00 177.39 178.40 2roq s PRO 3 N 0.41 4.25 -0.04 1.47 0.04 -1.26 -5.02 135.00 134.85 2roq s PRO 3 Ca 0.32 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.42 2roq s PRO 3 Cb 0.15 -3.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 2roq s PRO 3 CO -0.18 -0.65 -0.18 -1.83 0.04 0.00 0.00 177.00 174.21 2roq s GLU 4 N 2.80 2.42 -0.35 4.56 4.04 -1.26 -5.04 118.70 125.88 2roq s GLU 4 Ca 0.66 -0.76 0.14 0.00 0.04 0.00 0.00 54.97 55.04 2roq s GLU 4 Cb -0.32 -2.29 0.45 0.00 0.02 0.00 0.00 34.13 32.00 2roq s GLU 4 CO 0.27 0.59 1.05 1.47 -1.84 0.00 0.00 175.26 176.80 2roq n LEU 5 N 2.38 2.83 -3.40 1.83 -0.00 -1.26 -4.98 117.00 114.40 2roq n LEU 5 Ca -0.17 -4.19 -0.18 0.00 -0.00 0.00 0.00 56.01 51.47 2roq n LEU 5 Cb 0.52 0.08 -0.09 0.00 -0.00 0.00 0.00 43.42 43.93 2roq n LEU 5 CO 0.25 1.75 -0.18 -1.59 -0.00 0.00 0.00 177.39 177.62 2roq s LYS 6 N -3.40 0.45 0.00 1.47 0.00 -1.26 -5.14 119.74 111.86 2roq s LYS 6 Ca 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 55.97 55.83 2roq s LYS 6 Cb 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 37.83 37.50 2roq s LYS 6 CO -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 175.35 174.20 2roq n ALA 7 N 4.84 0.00 -2.55 0.59 0.00 -1.26 -4.89 120.51 117.23 2roq n ALA 7 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2roq n ALA 7 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2roq n ALA 7 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2roq n GLN 8 N 0.00 -2.88 -2.66 0.00 7.27 -1.26 -4.58 117.38 113.28 2roq n GLN 8 Ca 0.00 2.39 -0.07 0.00 0.07 0.00 0.00 57.00 59.40 2roq n GLN 8 Cb 0.00 -4.81 0.03 0.00 2.41 0.00 0.00 30.24 27.87 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2roq n ALA 9 N 0.47 -1.97 0.59 1.69 0.00 -1.26 -4.90 120.51 115.13 2roq n ALA 9 Ca 0.01 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.59 2roq n ALA 9 Cb 0.05 -3.10 0.34 0.00 0.00 0.00 0.00 19.45 16.74 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 -2.30 0.11 -3.65 0.00 -0.04 -1.26 -4.90 135.00 122.96 2roq n PRO 10 Ca -0.03 0.20 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 2roq n PRO 10 Cb 0.55 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.04 -0.70 3.37 0.55 0.00 -1.26 -5.00 105.19 102.11 2roq n GLY 11 Ca 0.05 0.33 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.80 1.79 0.64 1.61 1.70 -1.26 -5.03 118.95 112.60 2roq s ARG 12 Ca 0.26 -1.12 -0.11 0.00 -0.47 0.00 0.00 55.73 54.29 2roq s ARG 12 Cb -0.08 -2.00 -0.03 0.00 -0.57 0.00 0.00 34.95 32.28 2roq s ARG 12 CO 0.83 0.51 1.04 0.00 -1.08 0.00 0.00 175.30 176.59 2roq s ALA 13 N -0.85 2.97 -0.49 7.88 0.00 -1.26 -3.11 121.76 126.89 2roq s ALA 13 Ca 0.12 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.80 2roq s ALA 13 Cb -0.10 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 2roq s ALA 13 CO 0.03 -0.83 1.79 -1.25 0.00 0.00 0.00 175.76 175.50 2roq s PRO 14 N -5.06 2.97 0.00 0.00 0.04 -1.26 -4.54 135.00 127.15 2roq s PRO 14 Ca 0.56 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2roq s PRO 14 Cb -0.12 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2roq s PRO 14 CO 0.53 -2.30 0.30 1.17 0.04 0.00 0.00 177.00 176.73 2roq n LYS 15 N 8.81 0.00 -0.00 4.56 4.81 -1.26 -4.73 118.16 130.34 2roq n LYS 15 Ca 0.21 -0.28 0.10 0.00 -0.87 0.00 0.00 58.31 57.46 2roq n LYS 15 Cb 0.50 0.45 -0.13 0.00 0.02 0.00 0.00 35.03 35.87 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2roq n ALA 16 N 0.00 3.79 0.00 3.14 0.00 -1.26 -4.99 120.51 121.19 2roq n ALA 16 Ca -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2roq n ALA 16 Cb 0.37 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 1.42 2.53 0.14 0.00 0.00 -1.26 -4.73 105.19 103.30 2roq n GLY 17 Ca 0.01 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.37 2roq n GLY 17 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2roq h SER 18 N 0.00 0.00 0.50 1.61 0.87 -1.95 -3.34 113.55 111.24 2roq h SER 18 Ca 0.00 -0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 60.26 2roq h SER 18 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2roq h SER 18 CO 0.00 0.00 -1.59 1.05 -0.53 0.00 0.00 176.83 175.76 2roq h GLU 19 N 0.00 0.11 -0.99 2.24 4.11 -1.89 -3.35 114.58 114.82 2roq h GLU 19 Ca 0.00 -0.19 0.13 0.00 0.07 0.00 0.00 59.36 59.36 2roq h GLU 19 Cb 0.99 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 2roq h GLU 19 CO 0.00 0.86 0.62 1.15 0.07 0.00 0.00 179.01 181.71 2roq h THR 20 N 0.03 0.89 0.00 -1.06 2.02 -1.85 0.19 112.91 113.13 2roq h THR 20 Ca -0.25 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 2roq h THR 20 Cb 1.98 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2roq h THR 20 CO 0.11 0.17 -0.19 0.16 0.37 0.00 0.00 175.52 176.14 2roq h ILE 21 N 0.94 0.59 0.14 3.11 3.07 -1.72 -2.15 117.51 121.48 2roq h ILE 21 Ca 0.50 -0.90 -0.01 0.00 1.55 0.00 0.00 64.86 66.00 2roq h ILE 21 Cb 0.55 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 2roq h ILE 21 CO -0.27 0.19 -0.07 0.40 -1.05 0.00 0.00 178.15 177.36 2roq h ILE 22 N 0.00 0.81 -0.28 0.16 1.08 -0.79 -2.19 117.51 116.31 2roq h ILE 22 Ca -0.00 -1.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.24 2roq h ILE 22 Cb 0.58 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 2roq h ILE 22 CO 0.03 0.23 0.15 0.00 -0.69 0.00 0.00 178.15 177.86 2roq h ALA 23 N -0.39 1.74 -0.13 1.87 0.00 -1.37 -1.14 119.26 119.83 2roq h ALA 23 Ca -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2roq h ALA 23 Cb 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2roq h ALA 23 CO 0.03 0.22 -0.15 0.00 0.00 0.00 0.00 179.25 179.36 2roq h ALA 24 N 1.78 0.19 -0.19 0.00 0.00 -1.45 -0.92 119.26 118.68 2roq h ALA 24 Ca 0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2roq h ALA 24 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2roq h ALA 24 CO -0.02 0.08 -0.13 0.00 0.00 0.00 0.00 179.25 179.18 2roq h ALA 25 N 0.59 1.43 0.02 0.00 0.00 -1.01 0.73 119.26 121.01 2roq h ALA 25 Ca 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2roq h ALA 25 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2roq h ALA 25 CO 0.04 0.40 -0.01 0.74 0.00 0.00 0.00 179.25 180.41 2roq h PHE 26 N 0.28 -0.02 0.00 0.00 0.04 -1.17 -1.16 116.94 114.91 2roq h PHE 26 Ca 0.06 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2roq h PHE 26 Cb 0.41 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.57 2roq h PHE 26 CO 0.01 0.64 0.00 0.66 -0.60 0.00 0.00 178.31 179.02 2roq h SER 27 N -0.72 0.00 0.35 2.17 4.64 -1.09 0.36 113.55 119.26 2roq h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2roq h SER 27 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2roq h SER 27 CO 0.00 0.00 -1.33 -0.24 -0.87 0.00 0.00 176.83 174.39 2roq n SER 28 N -2.39 0.49 -0.05 4.97 2.88 0.24 -0.51 113.62 119.25 2roq n SER 28 Ca 0.02 -0.12 -0.03 0.00 -1.33 0.00 0.00 58.87 57.40 2roq n SER 28 Cb 0.25 1.14 -0.01 0.00 -0.75 0.00 0.00 64.21 64.84 2roq n SER 28 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2roq h LEU 29 N 0.00 0.00 0.00 2.46 3.38 -0.66 -3.47 115.31 117.01 2roq h LEU 29 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2roq h LEU 29 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2roq h LEU 29 CO 0.00 0.54 -0.03 0.00 0.09 0.00 0.00 178.44 179.04 2roq n LEU 30 N -3.96 0.00 -0.02 1.67 -0.00 -0.83 -4.93 117.00 108.93 2roq n LEU 30 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.94 2roq n LEU 30 Cb 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.59 2roq n LEU 30 CO 0.07 0.00 0.50 1.23 -0.00 0.00 0.00 177.39 179.19 2roq h GLY 31 N 0.00 -1.72 0.00 1.47 0.00 -0.47 -3.45 103.07 98.90 2roq h GLY 31 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 47.33 48.11 2roq h GLY 31 CO 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 176.54 175.93 2roq n ASP 33 N -0.67 0.00 -4.75 0.00 8.00 -1.26 -5.08 116.55 112.79 2roq n ASP 33 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 2roq n ASP 33 Cb 0.34 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.47 2roq n ASP 33 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2roq n VAL 34 N 0.00 3.41 0.13 2.53 0.31 -1.26 -4.93 118.33 118.52 2roq n VAL 34 Ca 0.00 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.67 2roq n VAL 34 Cb 0.00 -1.73 -0.09 0.00 -0.91 0.00 0.00 33.84 31.12 2roq n VAL 34 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2roq h GLN 35 N 1.77 -0.71 0.00 5.55 4.15 -1.98 -3.48 115.11 120.40 2roq h GLN 35 Ca -0.51 0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2roq h GLN 35 Cb 1.29 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.14 2roq h GLN 35 CO 0.59 -0.48 0.00 -0.40 -1.93 0.00 0.00 178.83 176.61 2roq n ASP 36 N -5.49 0.00 0.00 -0.69 5.68 -1.26 -4.98 116.55 109.81 2roq n ASP 36 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 2roq n ASP 36 Cb 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2roq n ALA 37 N -1.67 1.05 -0.94 2.12 0.00 -1.18 -4.56 120.51 115.34 2roq n ALA 37 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 53.44 53.00 2roq n ALA 37 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.03 3.21 -4.83 0.00 2.03 -1.26 -0.04 116.55 115.63 2roq n ASP 38 Ca 0.00 -2.95 -0.29 0.00 0.52 0.00 0.00 54.79 52.07 2roq n ASP 38 Cb 0.48 -0.47 0.10 0.00 -0.72 0.00 0.00 41.12 40.52 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq s ALA 39 N -2.68 2.20 -0.15 -1.67 0.00 -1.26 -4.89 121.76 113.31 2roq s ALA 39 Ca 0.36 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 2roq s ALA 39 Cb 0.29 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.41 2roq s ALA 39 CO 0.07 -1.89 -0.08 -0.51 0.00 0.00 0.00 175.76 173.35 2roq s ASP 40 N -4.14 2.70 0.31 0.00 1.01 -1.26 -3.59 116.67 111.70 2roq s ASP 40 Ca 0.62 -0.56 0.05 0.00 0.71 0.00 0.00 52.55 53.37 2roq s ASP 40 Cb -0.13 -0.98 0.84 0.00 1.01 0.00 0.00 42.92 43.65 2roq s ASP 40 CO 0.52 -0.14 1.59 0.15 0.21 0.00 0.00 175.17 177.51 2roq h PHE 41 N 8.11 0.18 0.07 4.23 3.04 -1.91 0.53 116.94 131.18 2roq h PHE 41 Ca -0.29 0.06 0.02 0.00 3.98 0.00 0.00 57.97 61.75 2roq h PHE 41 Cb 1.12 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.68 2roq h PHE 41 CO 0.47 -0.39 -0.22 0.74 -2.02 0.00 0.00 178.31 176.88 2roq h PHE 42 N 0.05 -0.59 0.00 0.41 0.04 -1.88 0.29 116.94 115.27 2roq h PHE 42 Ca 0.63 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.41 2roq h PHE 42 Cb 1.37 0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.77 2roq h PHE 42 CO -0.37 -0.31 0.00 0.00 -0.60 0.00 0.00 178.31 177.03 2roq n ALA 43 N -2.57 2.34 0.01 2.45 0.00 0.84 -2.77 120.51 120.81 2roq n ALA 43 Ca -0.06 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.32 2roq n ALA 43 Cb 0.26 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.17 2roq n ALA 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 44 N -1.21 0.33 0.00 0.00 4.77 0.15 -4.94 117.00 116.10 2roq n LEU 44 Ca 0.14 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2roq n LEU 44 Cb 0.17 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2roq n LEU 44 CO 0.18 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2roq n GLY 45 N 1.32 1.33 3.81 -0.72 0.00 0.48 -4.56 105.19 106.86 2roq n GLY 45 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 2.54 -0.40 -0.02 0.00 0.73 -4.86 107.32 103.30 2roq s GLY 46 Ca 0.00 0.33 0.03 0.00 0.00 0.00 0.00 44.72 45.09 2roq s GLY 46 CO 0.00 0.66 1.17 1.57 0.00 0.00 0.00 173.10 176.50 2roq n HIS 47 N -0.01 -1.76 0.00 1.90 -0.00 -1.26 -4.52 115.22 109.57 2roq n HIS 47 Ca 0.03 -1.32 0.00 0.00 0.46 0.00 0.00 57.72 56.90 2roq n HIS 47 Cb 0.52 1.36 0.00 0.00 -0.12 0.00 0.00 29.99 31.76 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 0.99 0.00 -0.12 1.57 0.00 -1.26 -4.08 120.51 117.61 2roq n ALA 48 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 2roq n ALA 48 Cb 0.70 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.49 -0.94 0.00 3.38 -1.93 0.52 115.31 114.85 2roq h LEU 49 Ca 0.00 0.22 0.15 0.00 0.09 0.00 0.00 57.88 58.34 2roq h LEU 49 Cb 0.00 0.64 -0.09 0.00 0.09 0.00 0.00 40.66 41.29 2roq h LEU 49 CO 0.00 -0.38 0.55 -0.07 0.09 0.00 0.00 178.44 178.63 2roq h LEU 50 N -0.36 0.73 -1.02 1.67 -0.00 -1.90 0.35 115.31 114.79 2roq h LEU 50 Ca 0.12 0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 58.04 2roq h LEU 50 Cb 0.59 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2roq h LEU 50 CO -0.56 0.32 -0.20 0.00 -0.00 0.00 0.00 178.44 178.01 2roq h ALA 51 N 1.58 0.99 0.08 1.53 0.00 -1.21 -2.20 119.26 120.03 2roq h ALA 51 Ca 0.51 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2roq h ALA 51 Cb 0.67 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2roq h ALA 51 CO -0.34 0.25 -0.51 1.98 0.00 0.00 0.00 179.25 180.63 2roq h MET 52 N 0.00 0.20 -0.52 0.00 1.85 0.37 -2.16 114.93 114.67 2roq h MET 52 Ca -0.00 -0.33 -0.08 0.00 -0.61 0.00 0.00 59.70 58.68 2roq h MET 52 Cb 0.77 0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.90 2roq h MET 52 CO 0.03 1.14 -0.01 0.87 -0.40 0.00 0.00 176.91 178.54 2roq h LYS 53 N -0.57 0.89 0.11 0.39 1.57 -0.85 -2.18 116.57 115.92 2roq h LYS 53 Ca -0.09 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2roq h LYS 53 Cb 1.39 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2roq h LYS 53 CO 0.10 0.89 -0.05 1.25 -0.57 0.00 0.00 179.45 181.06 2roq h LEU 54 N 0.82 -0.12 -0.23 2.94 6.46 -1.51 -2.16 115.31 121.51 2roq h LEU 54 Ca 0.15 -0.41 0.06 0.00 -0.12 0.00 0.00 57.88 57.56 2roq h LEU 54 Cb 0.50 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.39 2roq h LEU 54 CO 0.02 0.39 -0.28 0.00 -0.62 0.00 0.00 178.44 177.95 2roq h ALA 55 N 0.10 -0.23 -0.43 1.25 0.00 -1.38 0.17 119.26 118.74 2roq h ALA 55 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2roq h ALA 55 Cb 0.53 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2roq h ALA 55 CO 0.02 -0.73 0.28 0.00 0.00 0.00 0.00 179.25 178.83 2roq h ALA 56 N 0.65 1.68 -0.26 0.00 0.00 -1.48 -1.22 119.26 118.63 2roq h ALA 56 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2roq h ALA 56 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2roq h ALA 56 CO -0.40 0.29 -0.07 0.37 0.00 0.00 0.00 179.25 179.45 2roq h GLN 57 N 0.59 0.50 -0.38 0.00 4.15 -0.39 -2.24 115.11 117.34 2roq h GLN 57 Ca 0.16 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2roq h GLN 57 Cb -0.05 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 2roq h GLN 57 CO -0.03 0.72 0.12 -0.07 -1.93 0.00 0.00 178.83 177.64 2roq h LEU 58 N 0.25 0.56 -1.93 -2.39 3.38 -0.28 -0.90 115.31 113.99 2roq h LEU 58 Ca 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2roq h LEU 58 Cb 0.54 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2roq h LEU 58 CO 0.03 0.61 -0.06 0.77 0.09 0.00 0.00 178.44 179.88 2roq h SER 59 N 0.47 0.00 1.54 -0.43 4.64 -1.22 0.39 113.55 118.93 2roq h SER 59 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2roq h SER 59 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2roq h SER 59 CO -0.00 0.06 -0.46 0.03 -0.87 0.00 0.00 176.83 175.58 2roq h ARG 60 N 0.00 0.00 0.00 4.77 2.47 -0.96 -1.66 114.38 119.00 2roq h ARG 60 Ca -0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 2roq h ARG 60 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2roq h ARG 60 CO 0.01 0.01 -1.54 1.04 0.56 0.00 0.00 179.97 180.05 2roq n GLN 61 N -2.92 0.63 0.00 0.04 1.13 -0.35 -4.06 117.38 111.86 2roq n GLN 61 Ca 0.02 0.04 0.11 0.00 -1.94 0.00 0.00 57.00 55.23 2roq n GLN 61 Cb 0.55 -1.70 -0.00 0.00 0.11 0.00 0.00 30.24 29.19 2roq n GLN 61 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2roq n VAL 62 N -2.62 0.00 -1.48 5.09 0.24 0.12 -4.95 118.33 114.74 2roq n VAL 62 Ca -0.07 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 2roq n VAL 62 Cb 0.69 1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 34.27 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 0.01 -0.24 -3.92 2.33 0.00 -0.92 -4.98 120.51 112.80 2roq n ALA 63 Ca 0.09 0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 2roq n ALA 63 Cb 0.47 -1.60 -0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.56 1.75 -3.87 0.00 3.00 -0.67 -5.03 116.66 109.28 2roq n ARG 64 Ca -0.15 -0.34 -0.30 0.00 -0.00 0.00 0.00 57.85 57.06 2roq n ARG 64 Cb 0.49 0.08 -0.14 0.00 0.00 0.00 0.00 32.46 32.89 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 -2.18 1.47 0.43 -0.14 -0.21 -1.26 -4.45 119.66 113.32 2roq s GLN 65 Ca 0.01 -2.03 -0.09 0.00 0.02 0.00 0.00 55.36 53.27 2roq s GLN 65 Cb -0.00 -2.83 -0.06 0.00 1.00 0.00 0.00 33.01 31.12 2roq s GLN 65 CO 0.01 -1.06 0.78 0.54 -2.12 0.00 0.00 175.29 173.44 2roq s VAL 66 N 0.49 4.81 0.11 1.09 0.11 -1.26 -5.08 120.40 120.67 2roq s VAL 66 Ca 0.14 0.53 0.03 0.00 -2.93 0.00 0.00 61.98 59.75 2roq s VAL 66 Cb -0.22 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.82 2roq s VAL 66 CO -0.06 -0.63 0.14 0.42 -3.33 0.00 0.00 175.10 171.65 2roq s THR 67 N -2.50 4.78 -1.22 5.04 -4.23 -1.26 -4.91 115.64 111.34 2roq s THR 67 Ca 0.50 -0.76 0.14 0.00 -1.18 0.00 0.00 61.69 60.40 2roq s THR 67 Cb -0.10 -3.37 0.19 0.00 1.34 0.00 0.00 72.50 70.56 2roq s THR 67 CO 0.36 0.04 1.43 -0.81 -0.54 0.00 0.00 174.62 175.10 2roq n PRO 68 N 0.10 0.11 -0.03 3.99 -0.04 -1.26 -2.50 135.00 135.37 2roq n PRO 68 Ca -0.08 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2roq n PRO 68 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 2roq n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 69 N -0.03 -1.07 2.02 0.55 0.00 -1.26 -3.71 105.19 101.69 2roq n GLY 69 Ca 0.05 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 2roq n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2roq n GLN 70 N -2.63 2.09 0.02 1.61 10.64 -1.04 -3.99 117.38 124.07 2roq n GLN 70 Ca -0.16 -2.39 0.00 0.00 -1.83 0.00 0.00 57.00 52.62 2roq n GLN 70 Cb 0.86 -1.94 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2roq n VAL 71 N -0.60 0.00 0.30 -0.39 0.31 -1.25 -4.38 118.33 112.31 2roq n VAL 71 Ca 0.47 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.96 2roq n VAL 71 Cb 1.09 -0.33 0.93 0.00 -0.91 0.00 0.00 33.84 34.62 2roq n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2roq h MET 72 N 0.00 0.00 0.00 5.55 -0.00 -1.75 -3.21 114.93 115.53 2roq h MET 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2roq h MET 72 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2roq h MET 72 CO 0.00 0.03 -0.18 1.33 -0.00 0.00 0.00 176.91 178.09 2roq n VAL 73 N -3.63 0.00 0.00 -0.10 0.24 -1.26 -4.82 118.33 108.77 2roq n VAL 73 Ca -0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 2roq n VAL 73 Cb 0.12 0.43 -0.08 0.00 -1.47 0.00 0.00 33.84 32.84 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq h ALA 74 N 0.00 -0.83 0.00 2.33 0.00 -1.68 -2.72 119.26 116.36 2roq h ALA 74 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2roq h ALA 74 Cb 1.14 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2roq h ALA 74 CO 0.00 -0.98 0.00 0.43 0.00 0.00 0.00 179.25 178.70 2roq n SER 75 N -4.93 0.00 -3.58 0.00 7.64 -1.26 -3.97 113.62 107.51 2roq n SER 75 Ca -0.05 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.75 2roq n SER 75 Cb 0.31 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.50 2roq n SER 75 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2roq s THR 76 N 0.00 0.00 0.09 0.44 -1.32 -1.26 -4.80 115.64 108.79 2roq s THR 76 Ca 0.00 -1.04 -0.31 0.00 -1.21 0.00 0.00 61.69 59.13 2roq s THR 76 Cb 0.00 -2.28 -0.13 0.00 -1.51 0.00 0.00 72.50 68.58 2roq s THR 76 CO 0.00 0.00 1.50 0.58 -2.21 0.00 0.00 174.62 174.49 2roq h VAL 77 N 2.02 0.00 -0.77 5.08 2.07 -1.61 0.24 116.25 123.28 2roq h VAL 77 Ca -0.24 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.46 2roq h VAL 77 Cb 1.25 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.91 2roq h VAL 77 CO 0.29 0.00 0.20 0.00 0.02 0.00 0.00 177.57 178.08 2roq h ALA 78 N -0.62 1.02 -0.35 1.67 0.00 -0.81 0.27 119.26 120.45 2roq h ALA 78 Ca -0.00 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2roq h ALA 78 Cb 0.67 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2roq h ALA 78 CO -0.28 -0.35 -0.01 0.87 0.00 0.00 0.00 179.25 179.49 2roq h LYS 79 N 0.28 0.55 -0.82 0.00 1.79 -1.61 -2.07 116.57 114.69 2roq h LYS 79 Ca 0.44 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.76 2roq h LYS 79 Cb 0.77 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.31 2roq h LYS 79 CO -0.53 0.58 0.40 1.25 -1.08 0.00 0.00 179.45 180.07 2roq h LEU 80 N 0.52 1.07 -0.47 2.94 7.12 0.29 -1.07 115.31 125.72 2roq h LEU 80 Ca 0.11 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2roq h LEU 80 Cb 0.35 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 2roq h LEU 80 CO 0.01 0.90 0.00 0.00 -0.13 0.00 0.00 178.44 179.22 2roq h ALA 81 N 1.21 1.00 0.00 1.25 0.00 -1.00 -2.20 119.26 119.51 2roq h ALA 81 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2roq h ALA 81 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2roq h ALA 81 CO -0.04 0.00 -0.60 1.15 0.00 0.00 0.00 179.25 179.77 2roq h THR 82 N 0.00 0.00 0.00 0.00 2.02 -0.65 -2.21 112.91 112.08 2roq h THR 82 Ca 0.00 -0.62 -0.36 0.00 0.77 0.00 0.00 66.41 66.20 2roq h THR 82 Cb 0.78 1.25 -0.07 0.00 -1.74 0.00 0.00 68.15 68.38 2roq h THR 82 CO 0.00 0.00 -2.27 2.30 0.37 0.00 0.00 175.52 175.92 2roq n ILE 83 N -2.30 1.44 -0.01 3.11 -5.35 -0.48 -2.53 119.36 113.24 2roq n ILE 83 Ca 0.03 -0.83 -0.11 0.00 -0.27 0.00 0.00 62.75 61.57 2roq n ILE 83 Cb 0.47 -0.65 -0.14 0.00 -1.74 0.00 0.00 39.64 37.58 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 0.00 0.91 0.01 7.28 3.07 -1.53 -3.20 117.51 124.05 2roq h ILE 84 Ca -0.50 -2.72 -0.39 0.00 1.55 0.00 0.00 64.86 62.81 2roq h ILE 84 Cb 2.18 2.49 -0.06 0.00 -0.27 0.00 0.00 36.82 41.16 2roq h ILE 84 CO 0.03 0.60 -2.16 -0.67 -1.05 0.00 0.00 178.15 174.91 2roq n ASP 85 N -3.16 1.95 -2.04 2.16 2.03 -0.83 -4.40 116.55 112.26 2roq n ASP 85 Ca -0.18 0.27 -0.23 0.00 0.52 0.00 0.00 54.79 55.18 2roq n ASP 85 Cb 1.04 -0.79 0.09 0.00 -0.72 0.00 0.00 41.12 40.74 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ALA 86 N -3.75 5.37 -2.08 -1.67 0.00 -1.05 -4.94 120.51 112.39 2roq n ALA 86 Ca -0.45 -2.42 -0.43 0.00 0.00 0.00 0.00 53.44 50.13 2roq n ALA 86 Cb 0.87 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 2roq n ALA 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2roq s GLU 87 N -2.70 3.59 -0.15 0.00 2.12 -1.21 -4.70 118.70 115.65 2roq s GLU 87 Ca 0.46 1.52 0.03 0.00 0.36 0.00 0.00 54.97 57.34 2roq s GLU 87 Cb 0.37 -4.10 -0.11 0.00 0.26 0.00 0.00 34.13 30.54 2roq s GLU 87 CO 0.03 -1.55 -0.10 0.39 -0.54 0.00 0.00 175.26 173.49 2roq n GLU 88 N 8.02 0.74 -3.99 4.30 1.02 -1.26 -5.07 120.64 124.39 2roq n GLU 88 Ca 0.20 0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.30 2roq n GLU 88 Cb 0.46 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 2roq n GLU 88 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2roq s ASP 89 N -5.32 0.46 -0.49 1.62 -1.08 -1.26 -5.09 116.67 105.51 2roq s ASP 89 Ca -0.18 -1.27 -0.26 0.00 -0.52 0.00 0.00 52.55 50.32 2roq s ASP 89 Cb 0.05 0.70 -0.07 0.00 -1.46 0.00 0.00 42.92 42.14 2roq s ASP 89 CO 0.40 -1.37 2.42 -1.20 0.52 0.00 0.00 175.17 175.94 2roq n SER 90 N -1.19 2.32 -3.66 -0.34 7.64 -1.26 -4.89 113.62 112.24 2roq n SER 90 Ca -0.02 -0.50 -0.12 0.00 1.01 0.00 0.00 58.87 59.24 2roq n SER 90 Cb 0.61 -1.58 -0.12 0.00 -1.01 0.00 0.00 64.21 62.10 2roq n SER 90 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2roq s THR 91 N 12.19 -0.46 -0.07 0.44 2.01 -1.26 -5.02 115.64 123.48 2roq s THR 91 Ca 0.98 0.25 0.08 0.00 0.31 0.00 0.00 61.69 63.31 2roq s THR 91 Cb -0.18 -0.50 -0.12 0.00 0.01 0.00 0.00 72.50 71.71 2roq s THR 91 CO 0.26 0.10 0.07 0.54 -0.69 0.00 0.00 174.62 174.90 2roq n ARG 92 N 5.31 2.08 -1.27 4.92 1.74 -1.26 -4.98 116.66 123.20 2roq n ARG 92 Ca -0.08 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 56.89 2roq n ARG 92 Cb 0.50 -1.22 -0.04 0.00 -1.02 0.00 0.00 32.46 30.67 2roq n ARG 92 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2roq n ARG 93 N -2.21 -1.35 -1.47 5.56 0.63 -1.26 -4.28 116.66 112.27 2roq n ARG 93 Ca -0.11 0.79 -0.37 0.00 -0.92 0.00 0.00 57.85 57.23 2roq n ARG 93 Cb 0.67 -4.99 0.06 0.00 0.45 0.00 0.00 32.46 28.65 2roq n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2roq n MET 94 N -1.33 0.62 -2.49 -0.14 0.00 -1.25 -4.48 117.12 108.05 2roq n MET 94 Ca -0.09 0.25 -0.30 0.00 0.00 0.00 0.00 57.70 57.56 2roq n MET 94 Cb 0.48 -2.03 -0.02 0.00 0.00 0.00 0.00 33.22 31.65 2roq n MET 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2roq s GLY 95 N -1.36 1.84 -0.51 3.17 0.00 -1.03 -4.92 107.32 104.50 2roq s GLY 95 Ca 0.73 -0.13 -0.33 0.00 0.00 0.00 0.00 44.72 44.98 2roq s GLY 95 CO 0.51 0.09 2.33 0.69 0.00 0.00 0.00 173.10 176.72 2roq n PHE 96 N -1.84 1.33 -0.37 1.90 3.01 -1.20 -4.76 117.46 115.52 2roq n PHE 96 Ca 0.04 0.30 0.30 0.00 1.01 0.00 0.00 57.45 59.10 2roq n PHE 96 Cb 0.54 -2.51 0.56 0.00 -0.01 0.00 0.00 39.48 38.07 2roq n PHE 96 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 2roq h GLU 97 N 13.48 0.20 -0.07 -1.08 4.11 -1.91 0.29 114.58 129.60 2roq h GLU 97 Ca -0.21 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.15 2roq h GLU 97 Cb 1.32 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2roq h GLU 97 CO 1.12 0.13 -0.18 1.15 0.07 0.00 0.00 179.01 181.31 2roq h THR 98 N 0.20 1.42 -3.25 -1.06 2.02 -1.86 -3.35 112.91 107.03 2roq h THR 98 Ca 0.77 -1.53 -0.54 0.00 0.77 0.00 0.00 66.41 65.88 2roq h THR 98 Cb 2.07 2.24 -0.37 0.00 -1.74 0.00 0.00 68.15 70.35 2roq h THR 98 CO -0.52 0.43 -0.80 -0.63 0.37 0.00 0.00 175.52 174.37 2roq s ILE 99 N -3.86 1.05 -0.49 3.11 -1.09 0.10 -0.51 121.20 119.50 2roq s ILE 99 Ca -0.15 -0.44 -0.13 0.00 -2.23 0.00 0.00 60.65 57.70 2roq s ILE 99 Cb 0.03 -1.14 0.11 0.00 -1.58 0.00 0.00 42.46 39.88 2roq s ILE 99 CO 0.74 0.25 0.41 -0.22 -1.23 0.00 0.00 174.94 174.89 2roq s LEU 100 N 1.68 5.83 -0.59 2.97 0.20 -1.19 -3.26 118.68 124.32 2roq s LEU 100 Ca 0.03 -1.71 -0.27 0.00 0.69 0.00 0.00 54.13 52.87 2roq s LEU 100 Cb -0.14 -2.12 -0.02 0.00 -0.43 0.00 0.00 46.19 43.48 2roq s LEU 100 CO -0.08 -0.74 1.85 -2.16 -0.29 0.00 0.00 176.35 174.93 2roq s PRO 101 N 1.52 2.70 -0.15 0.98 0.04 -1.26 -3.71 135.00 135.12 2roq s PRO 101 Ca 0.04 0.68 -0.18 0.00 0.04 0.00 0.00 61.00 61.58 2roq s PRO 101 Cb -0.27 -4.37 -0.24 0.00 0.04 0.00 0.00 34.50 29.66 2roq s PRO 101 CO 0.02 -2.64 0.41 -0.07 0.04 0.00 0.00 177.00 174.76 2roq h LEU 102 N 16.14 0.21 -7.27 -3.56 3.38 -1.95 -3.46 115.31 118.80 2roq h LEU 102 Ca -0.27 -0.75 -0.50 0.00 0.09 0.00 0.00 57.88 56.46 2roq h LEU 102 Cb 1.16 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 41.44 2roq h LEU 102 CO 1.20 1.56 -0.76 -0.60 0.09 0.00 0.00 178.44 179.93 2roq s ARG 103 N -2.43 0.57 -0.13 1.13 6.06 -0.65 -4.97 118.95 118.52 2roq s ARG 103 Ca -0.24 -0.30 -0.04 0.00 -2.50 0.00 0.00 55.73 52.66 2roq s ARG 103 Cb 0.05 -1.91 0.06 0.00 0.06 0.00 0.00 34.95 33.21 2roq s ARG 103 CO 0.69 -0.60 0.14 -1.21 -2.50 0.00 0.00 175.30 171.83 2roq s GLU 104 N 1.91 0.06 0.00 5.12 0.41 -1.26 0.13 118.70 125.08 2roq s GLU 104 Ca 0.00 0.29 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 2roq s GLU 104 Cb -0.16 -0.93 0.00 0.00 -1.78 0.00 0.00 34.13 31.26 2roq s GLU 104 CO -0.08 -0.49 0.00 0.41 -0.49 0.00 0.00 175.26 174.61 2roq n GLY 105 N 5.31 0.62 0.23 -1.39 0.00 -1.26 -5.03 105.19 103.66 2roq n GLY 105 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 4.13 -1.26 -5.07 115.26 114.67 2roq n ASN 106 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2roq n ASN 106 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2roq n GLY 107 N 1.41 4.17 3.77 7.41 0.00 -0.54 -4.62 105.19 116.79 2roq n GLY 107 Ca 0.00 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 3.99 3.54 -0.29 1.61 0.04 -1.26 -4.23 135.00 138.39 2roq s PRO 108 Ca 0.00 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 2roq s PRO 108 Cb 0.00 -2.18 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2roq s PRO 108 CO 0.00 -0.72 1.08 0.99 0.04 0.00 0.00 177.00 178.39 2roq s THR 109 N -1.67 4.54 -0.18 1.26 2.01 -1.26 -0.90 115.64 119.44 2roq s THR 109 Ca 0.69 1.80 0.00 0.00 0.31 0.00 0.00 61.69 64.49 2roq s THR 109 Cb -0.26 -4.36 0.04 0.00 0.01 0.00 0.00 72.50 67.93 2roq s THR 109 CO 0.30 -0.38 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.56 2roq s LEU 110 N 3.54 1.87 -0.41 4.42 1.98 -0.48 -4.33 118.68 125.27 2roq s LEU 110 Ca 0.46 -0.75 -0.28 0.00 -2.89 0.00 0.00 54.13 50.67 2roq s LEU 110 Cb -0.13 -1.04 0.02 0.00 0.66 0.00 0.00 46.19 45.70 2roq s LEU 110 CO 0.13 -0.17 1.06 -0.36 -1.89 0.00 0.00 176.35 175.13 2roq s PHE 111 N 1.54 2.96 -0.14 5.38 0.08 -1.19 -3.45 117.98 123.16 2roq s PHE 111 Ca 0.00 0.82 -0.16 0.00 0.12 0.00 0.00 56.93 57.71 2roq s PHE 111 Cb -0.16 -4.05 -0.04 0.00 -0.57 0.00 0.00 43.02 38.20 2roq s PHE 111 CO -0.08 -1.04 0.41 0.00 -0.10 0.00 0.00 175.22 174.41 2roq s PHE 113 N 0.64 3.44 0.34 0.00 5.36 -0.84 -3.45 117.98 123.47 2roq s PHE 113 Ca 0.22 1.12 0.06 0.00 -0.96 0.00 0.00 56.93 57.38 2roq s PHE 113 Cb -0.14 -2.49 -0.01 0.00 -0.34 0.00 0.00 43.02 40.04 2roq s PHE 113 CO 0.08 -0.07 0.48 -1.01 -1.46 0.00 0.00 175.22 173.24 2roq s HIS 114 N -2.28 3.10 0.00 10.12 3.76 -1.26 -4.75 115.29 123.97 2roq s HIS 114 Ca 0.53 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 2roq s HIS 114 Cb -0.10 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.57 2roq s HIS 114 CO 0.27 -0.04 0.00 -0.35 -0.85 0.00 0.00 174.74 173.77 2roq n PRO 115 N -1.66 0.14 0.00 8.40 -0.04 -1.26 -4.69 135.00 135.88 2roq n PRO 115 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2roq n PRO 115 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.00 -3.59 0.55 0.00 -1.26 -4.75 120.51 108.45 2roq n ALA 116 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2roq n ALA 116 Cb 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 2roq n ALA 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roq s SER 117 N -2.98 -0.90 0.00 0.00 0.15 -1.26 -4.91 113.70 103.80 2roq s SER 117 Ca 0.00 1.30 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2roq s SER 117 Cb 0.00 1.84 0.00 0.00 -1.71 0.00 0.00 66.02 66.15 2roq s SER 117 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2roq n GLY 118 N 4.90 0.06 3.32 9.45 0.00 -1.26 -4.92 105.19 116.73 2roq n GLY 118 Ca -0.14 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 2roq n GLY 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2roq s PHE 119 N -0.80 1.94 -0.44 1.61 -0.71 -1.26 -4.62 117.98 113.70 2roq s PHE 119 Ca 0.00 -0.41 0.05 0.00 -1.04 0.00 0.00 56.93 55.53 2roq s PHE 119 Cb 0.00 -1.05 0.19 0.00 -1.21 0.00 0.00 43.02 40.94 2roq s PHE 119 CO 0.00 0.26 0.47 0.00 -1.34 0.00 0.00 175.22 174.60 2roq n ALA 120 N 0.97 1.58 -0.57 1.99 0.00 -1.26 -4.94 120.51 118.27 2roq n ALA 120 Ca -0.19 -2.60 0.10 0.00 0.00 0.00 0.00 53.44 50.76 2roq n ALA 120 Cb 0.54 -0.95 0.35 0.00 0.00 0.00 0.00 19.45 19.39 2roq n ALA 120 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2roq n TRP 121 N 2.67 1.38 -0.42 0.00 8.01 -1.26 -4.10 117.44 123.72 2roq n TRP 121 Ca 0.26 -0.59 0.05 0.00 -1.31 0.00 0.00 57.50 55.91 2roq n TRP 121 Cb 0.51 -0.19 0.13 0.00 -2.01 0.00 0.00 31.31 29.75 2roq n TRP 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2roq n GLN 122 N 1.24 2.71 -0.05 -0.99 10.64 -1.26 -4.36 117.38 125.31 2roq n GLN 122 Ca 0.26 -2.14 0.10 0.00 -1.83 0.00 0.00 57.00 53.39 2roq n GLN 122 Cb 0.84 -1.35 0.44 0.00 -0.86 0.00 0.00 30.24 29.31 2roq n GLN 122 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2roq n PHE 123 N -0.23 0.12 0.37 2.61 3.01 -1.26 -3.70 117.46 118.38 2roq n PHE 123 Ca 0.11 -0.06 0.14 0.00 1.01 0.00 0.00 57.45 58.65 2roq n PHE 123 Cb 0.50 0.00 0.53 0.00 -0.01 0.00 0.00 39.48 40.50 2roq n PHE 123 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2roq h SER 124 N 1.31 0.00 -0.89 4.37 0.02 -1.89 -3.08 113.55 113.39 2roq h SER 124 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2roq h SER 124 Cb 0.29 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 2roq h SER 124 CO 0.00 0.00 0.58 1.62 -1.14 0.00 0.00 176.83 177.89 2roq h VAL 125 N 0.00 1.03 0.00 2.27 3.04 -1.95 0.27 116.25 120.92 2roq h VAL 125 Ca 0.00 -0.33 -0.17 0.00 -1.01 0.00 0.00 66.70 65.19 2roq h VAL 125 Cb 0.49 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.29 29.73 2roq h VAL 125 CO 0.00 0.18 -1.11 0.25 -1.01 0.00 0.00 177.57 175.88 2roq h LEU 126 N 0.97 0.00 -0.26 3.16 6.46 -1.85 -2.29 115.31 121.49 2roq h LEU 126 Ca 0.39 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 2roq h LEU 126 Cb 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2roq h LEU 126 CO -0.15 0.67 0.00 0.77 -0.62 0.00 0.00 178.44 179.11 2roq h SER 127 N 0.00 0.00 0.00 1.25 4.64 -1.34 -2.68 113.55 115.42 2roq h SER 127 Ca -0.11 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.07 2roq h SER 127 Cb 1.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.67 2roq h SER 127 CO 0.07 0.00 -2.08 -2.11 -0.87 0.00 0.00 176.83 171.84 2roq n ARG 128 N -3.03 0.74 0.09 4.77 -4.01 0.88 -0.01 116.66 116.08 2roq n ARG 128 Ca 0.03 -0.11 0.12 0.00 -1.04 0.00 0.00 57.85 56.86 2roq n ARG 128 Cb 0.48 -1.48 0.28 0.00 -3.04 0.00 0.00 32.46 28.69 2roq n ARG 128 CO 0.00 0.00 0.00 -0.92 -3.04 0.00 0.00 177.63 173.67 2roq h TYR 129 N 0.00 0.00 0.00 2.89 3.20 -1.43 -3.37 116.97 118.26 2roq h TYR 129 Ca -0.21 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.43 2roq h TYR 129 Cb 1.43 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.66 2roq h TYR 129 CO 0.00 0.00 -1.87 1.47 -1.64 0.00 0.00 178.16 176.12 2roq n LEU 130 N -2.23 2.67 0.00 2.82 -0.00 -1.01 -4.80 117.00 114.45 2roq n LEU 130 Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 2roq n LEU 130 Cb 0.44 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 2roq n LEU 130 CO 0.34 0.69 0.00 0.47 -0.00 0.00 0.00 177.39 178.88 2roq n ASP 131 N -3.08 0.00 0.00 1.45 8.00 -1.14 -4.88 116.55 116.90 2roq n ASP 131 Ca -0.28 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.30 2roq n ASP 131 Cb 0.78 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 42.28 2roq n ASP 131 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2roq n PRO 132 N 0.00 0.32 -0.53 -0.24 -0.04 0.98 -2.56 135.00 132.93 2roq n PRO 132 Ca 0.00 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2roq n PRO 132 Cb 0.00 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.21 2roq n PRO 132 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2roq n GLN 133 N -1.17 3.31 -4.28 0.54 6.02 -1.26 -4.90 117.38 115.64 2roq n GLN 133 Ca 0.09 -1.94 -0.30 0.00 -0.01 0.00 0.00 57.00 54.84 2roq n GLN 133 Cb 0.09 -1.92 -0.03 0.00 1.02 0.00 0.00 30.24 29.40 2roq n GLN 133 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 2roq s TRP 134 N -2.03 1.65 -0.14 1.08 1.48 -1.06 -1.46 118.94 118.46 2roq s TRP 134 Ca 0.34 -0.92 -0.15 0.00 -1.06 0.00 0.00 56.10 54.31 2roq s TRP 134 Cb 0.25 -1.77 -0.05 0.00 -1.16 0.00 0.00 33.47 30.75 2roq s TRP 134 CO 0.11 -0.20 0.35 0.45 -4.06 0.00 0.00 176.95 173.60 2roq s SER 135 N -4.12 6.53 -0.10 -2.66 0.15 -0.08 -4.41 113.70 109.01 2roq s SER 135 Ca 0.20 0.63 -0.07 0.00 0.70 0.00 0.00 55.95 57.41 2roq s SER 135 Cb -0.01 -2.21 0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2roq s SER 135 CO 0.12 0.10 0.24 -0.51 1.20 0.00 0.00 173.24 174.39 2roq s ILE 136 N 0.36 -0.02 -0.10 6.45 2.07 0.12 -1.38 121.20 128.69 2roq s ILE 136 Ca 0.20 0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.46 2roq s ILE 136 Cb -0.14 -0.37 0.04 0.00 0.13 0.00 0.00 42.46 42.12 2roq s ILE 136 CO 0.06 0.04 0.24 0.27 -1.91 0.00 0.00 174.94 173.64 2roq s ILE 137 N 0.80 -0.02 -0.34 2.00 -4.36 -1.22 -1.64 121.20 116.41 2roq s ILE 137 Ca -0.06 0.08 -0.13 0.00 -0.26 0.00 0.00 60.65 60.29 2roq s ILE 137 Cb -0.07 -0.36 -0.01 0.00 1.25 0.00 0.00 42.46 43.27 2roq s ILE 137 CO -0.05 0.03 0.24 -0.83 0.24 0.00 0.00 174.94 174.58 2roq s GLY 138 N 0.76 1.97 -0.81 6.27 0.00 -1.24 -1.84 107.32 112.42 2roq s GLY 138 Ca -0.05 -1.40 -0.22 0.00 0.00 0.00 0.00 44.72 43.05 2roq s GLY 138 CO -0.05 0.78 1.12 -0.42 0.00 0.00 0.00 173.10 174.54 2roq s ILE 139 N 1.72 4.33 -0.05 0.90 1.09 -1.22 -3.19 121.20 124.77 2roq s ILE 139 Ca 0.06 -0.74 -0.24 0.00 -1.10 0.00 0.00 60.65 58.63 2roq s ILE 139 Cb -0.17 -4.80 0.05 0.00 -1.06 0.00 0.00 42.46 36.48 2roq s ILE 139 CO 0.10 -1.59 0.53 -1.58 -0.10 0.00 0.00 174.94 172.31 2roq s GLN 140 N 3.92 0.88 0.19 2.79 2.00 0.33 -4.57 119.66 125.20 2roq s GLN 140 Ca 0.31 0.15 0.07 0.00 -2.00 0.00 0.00 55.36 53.89 2roq s GLN 140 Cb -0.09 0.41 -0.04 0.00 0.80 0.00 0.00 33.01 34.08 2roq s GLN 140 CO 0.01 -0.25 0.04 -1.12 -0.50 0.00 0.00 175.29 173.47 2roq s SER 141 N -1.08 4.94 1.07 6.67 0.01 -1.26 -3.95 113.70 120.10 2roq s SER 141 Ca -0.11 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 56.64 2roq s SER 141 Cb -0.02 -1.10 0.22 0.00 0.21 0.00 0.00 66.02 65.33 2roq s SER 141 CO 0.07 0.06 1.10 -2.16 0.41 0.00 0.00 173.24 172.72 2roq s PRO 142 N -3.15 -0.12 -0.37 12.44 0.04 -1.26 -4.36 135.00 138.22 2roq s PRO 142 Ca 0.29 0.33 0.01 0.00 0.04 0.00 0.00 61.00 61.66 2roq s PRO 142 Cb -0.09 -1.69 0.12 0.00 0.04 0.00 0.00 34.50 32.88 2roq s PRO 142 CO 0.20 -3.06 0.18 0.50 0.04 0.00 0.00 177.00 174.86 2roq s ARG 143 N -5.09 0.95 -0.01 4.56 3.52 -1.26 -4.95 118.95 116.67 2roq s ARG 143 Ca 0.67 -1.53 -0.25 0.00 -0.13 0.00 0.00 55.73 54.49 2roq s ARG 143 Cb -0.16 -2.05 -0.19 0.00 -1.56 0.00 0.00 34.95 30.99 2roq s ARG 143 CO 0.57 -1.10 1.28 -1.00 -0.81 0.00 0.00 175.30 174.25 2roq h PRO 144 N 7.33 0.05 0.00 5.12 0.13 -2.00 -3.40 132.00 139.23 2roq h PRO 144 Ca -0.05 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2roq h PRO 144 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2roq h PRO 144 CO 0.45 0.53 -0.18 0.09 -0.23 0.00 0.00 178.00 178.65 2roq n ASN 145 N -4.81 0.00 -1.96 1.44 4.13 -1.26 -5.03 115.26 107.77 2roq n ASN 145 Ca -0.08 -1.37 -0.03 0.00 1.68 0.00 0.00 54.58 54.78 2roq n ASN 145 Cb 0.27 -0.07 0.02 0.00 -1.54 0.00 0.00 39.78 38.45 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2roq n GLY 146 N 0.00 0.21 0.00 7.41 0.00 -1.26 -5.05 105.19 106.50 2roq n GLY 146 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2roq n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2roq n PRO 147 N -1.85 0.00 0.00 1.61 -0.04 -1.26 -4.37 135.00 129.09 2roq n PRO 147 Ca -0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 2roq n PRO 147 Cb 0.53 -0.44 0.17 0.00 -0.04 0.00 0.00 33.50 33.72 2roq n PRO 147 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2roq n MET 148 N -0.18 0.58 0.02 0.54 2.81 -1.26 -4.00 117.12 115.63 2roq n MET 148 Ca 0.00 -0.41 0.07 0.00 -1.81 0.00 0.00 57.70 55.55 2roq n MET 148 Cb 0.00 -1.49 0.31 0.00 -0.71 0.00 0.00 33.22 31.33 2roq n MET 148 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2roq n GLN 149 N -0.85 0.03 0.50 0.03 3.00 -1.26 -0.29 117.38 118.54 2roq n GLN 149 Ca 0.08 0.30 -0.20 0.00 -0.01 0.00 0.00 57.00 57.17 2roq n GLN 149 Cb 0.37 -1.56 -0.10 0.00 0.00 0.00 0.00 30.24 28.95 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2roq h THR 150 N 0.00 0.04 0.00 5.09 1.35 -1.76 -3.36 112.91 114.26 2roq h THR 150 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2roq h THR 150 Cb 0.24 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 2roq h THR 150 CO 0.00 0.00 -0.38 0.00 -0.25 0.00 0.00 175.52 174.89 2roq n ALA 151 N -2.67 1.16 1.35 6.62 0.00 -1.21 -4.67 120.51 121.09 2roq n ALA 151 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.33 2roq n ALA 151 Cb 0.52 0.06 0.18 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.89 2.49 -0.14 0.00 0.00 0.10 -4.23 120.51 117.83 2roq n ALA 152 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 2roq n ALA 152 Cb 0.12 -1.03 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 1.32 -0.32 0.30 0.00 -1.07 -0.81 0.32 115.58 115.32 2roq h ASN 153 Ca 0.00 0.13 -0.09 0.00 0.07 0.00 0.00 56.30 56.40 2roq h ASN 153 Cb 0.30 0.24 -0.01 0.00 -2.07 0.00 0.00 38.32 36.78 2roq h ASN 153 CO 0.00 -0.11 -0.39 -0.07 0.07 0.00 0.00 177.43 176.93 2roq h LEU 154 N 0.05 0.13 -0.01 6.14 3.38 -1.88 -2.12 115.31 121.02 2roq h LEU 154 Ca 0.23 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2roq h LEU 154 Cb 0.35 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2roq h LEU 154 CO -0.43 0.52 -0.00 -0.78 0.09 0.00 0.00 178.44 177.83 2roq h ASP 155 N 0.11 0.02 0.45 -0.43 3.58 -1.27 -2.13 116.42 116.75 2roq h ASP 155 Ca 0.01 -0.43 -0.02 0.00 0.42 0.00 0.00 57.03 57.01 2roq h ASP 155 Cb 0.74 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2roq h ASP 155 CO 0.06 0.44 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.31 2roq h GLU 156 N -0.41 -0.59 -0.68 0.28 4.39 -0.41 -2.02 114.58 115.14 2roq h GLU 156 Ca 0.00 0.04 0.16 0.00 0.34 0.00 0.00 59.36 59.90 2roq h GLU 156 Cb 0.44 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 2roq h GLU 156 CO 0.00 -0.36 0.47 -0.39 -1.16 0.00 0.00 179.01 177.57 2roq h VAL 157 N -0.66 0.75 0.34 3.13 -1.51 -1.47 -1.30 116.25 115.54 2roq h VAL 157 Ca -0.06 -0.07 -0.02 0.00 -1.23 0.00 0.00 66.70 65.32 2roq h VAL 157 Cb 0.49 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 2roq h VAL 157 CO 0.10 0.04 -0.16 0.00 -1.23 0.00 0.00 177.57 176.32 2roq h GLU 159 N -0.82 -0.75 -0.96 0.00 4.39 -0.71 0.42 114.58 116.15 2roq h GLU 159 Ca -0.05 0.05 0.17 0.00 0.34 0.00 0.00 59.36 59.88 2roq h GLU 159 Cb 0.52 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 29.24 2roq h GLU 159 CO 0.08 -0.50 0.56 0.00 -1.16 0.00 0.00 179.01 177.98 2roq h ALA 160 N -0.36 1.53 0.56 3.43 0.00 -1.35 0.17 119.26 123.24 2roq h ALA 160 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2roq h ALA 160 Cb 0.69 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2roq h ALA 160 CO -0.05 -0.04 -0.27 1.25 0.00 0.00 0.00 179.25 180.14 2roq h HIS 161 N 0.74 -0.70 -0.61 0.00 -0.00 -0.76 -2.11 115.15 111.71 2roq h HIS 161 Ca 0.54 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 61.01 2roq h HIS 161 Cb 0.79 0.23 -0.10 0.00 -0.00 0.00 0.00 27.41 28.33 2roq h HIS 161 CO -0.03 -0.43 0.06 -0.07 -0.00 0.00 0.00 177.93 177.46 2roq h LEU 162 N -0.93 -0.14 -0.00 0.26 -0.00 -0.61 0.30 115.31 114.19 2roq h LEU 162 Ca -0.08 0.13 0.03 0.00 -0.00 0.00 0.00 57.88 57.97 2roq h LEU 162 Cb 0.58 0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 41.40 2roq h LEU 162 CO 0.13 -0.06 -0.35 0.00 -0.00 0.00 0.00 178.44 178.15 2roq h ALA 163 N 1.52 -0.53 0.00 1.53 0.00 -0.70 0.10 119.26 121.18 2roq h ALA 163 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2roq h ALA 163 Cb 0.51 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2roq h ALA 163 CO -0.47 -0.87 0.00 2.41 0.00 0.00 0.00 179.25 180.32 2roq n THR 164 N -5.43 0.85 -0.05 0.00 -1.04 -0.77 -1.72 114.28 106.12 2roq n THR 164 Ca -0.05 0.21 -0.04 0.00 -2.04 0.00 0.00 64.05 62.13 2roq n THR 164 Cb 0.34 -0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 67.89 2roq n THR 164 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2roq h LEU 165 N 0.00 -0.00 0.00 -4.42 4.07 0.20 -2.13 115.31 113.03 2roq h LEU 165 Ca 0.00 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2roq h LEU 165 Cb 0.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2roq h LEU 165 CO 0.00 0.63 0.00 0.18 -1.08 0.00 0.00 178.44 178.17 2roq n LEU 166 N -4.74 0.00 -0.10 1.67 7.99 -0.28 -0.03 117.00 121.51 2roq n LEU 166 Ca -0.03 0.46 -0.19 0.00 -0.01 0.00 0.00 56.01 56.24 2roq n LEU 166 Cb 0.13 -0.46 -0.09 0.00 -0.11 0.00 0.00 43.42 42.89 2roq n LEU 166 CO 0.09 -0.05 -0.58 1.21 -1.51 0.00 0.00 177.39 176.55 2roq n GLU 167 N -1.46 0.54 0.02 3.23 0.00 -0.70 -4.46 120.64 117.83 2roq n GLU 167 Ca 0.08 0.53 -0.12 0.00 0.00 0.00 0.00 57.16 57.64 2roq n GLU 167 Cb 0.28 -1.70 -0.14 0.00 0.00 0.00 0.00 31.44 29.88 2roq n GLU 167 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2roq h GLN 168 N -1.00 0.10 -3.68 5.31 1.08 -1.46 -3.41 115.11 112.05 2roq h GLN 168 Ca -0.30 -0.18 -0.73 0.00 -1.45 0.00 0.00 58.65 55.99 2roq h GLN 168 Cb 1.16 0.07 -0.32 0.00 -0.05 0.00 0.00 27.48 28.33 2roq h GLN 168 CO -0.18 0.86 -0.22 -0.65 -0.95 0.00 0.00 178.83 177.69 2roq s GLN 169 N -2.62 2.89 0.00 1.46 -0.21 0.96 -4.90 119.66 117.24 2roq s GLN 169 Ca -0.07 -2.49 0.16 0.00 0.02 0.00 0.00 55.36 52.98 2roq s GLN 169 Cb 0.08 -3.96 0.92 0.00 1.00 0.00 0.00 33.01 31.05 2roq s GLN 169 CO 0.83 -1.21 1.35 -0.35 -2.12 0.00 0.00 175.29 173.78 2roq n PRO 170 N 3.67 0.47 -2.07 2.91 -0.04 -1.26 -4.11 135.00 134.57 2roq n PRO 170 Ca 0.09 0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 2roq n PRO 170 Cb 0.41 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.45 2roq n PRO 170 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2roq n HIS 171 N -1.02 -2.98 0.00 0.54 -0.00 -1.26 -5.10 115.22 105.40 2roq n HIS 171 Ca 0.11 -1.30 0.00 0.00 0.46 0.00 0.00 57.72 57.00 2roq n HIS 171 Cb 0.06 -0.50 0.00 0.00 -0.12 0.00 0.00 29.99 29.43 2roq n HIS 171 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2roq n GLY 172 N -0.42 -0.00 3.58 1.57 0.00 -1.26 -4.94 105.19 103.72 2roq n GLY 172 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.67 3.11 0.31 1.61 0.04 0.09 -4.37 135.00 135.12 2roq s PRO 173 Ca 0.00 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.11 2roq s PRO 173 Cb 0.00 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 2roq s PRO 173 CO 0.00 -2.14 0.16 1.52 0.04 0.00 0.00 177.00 176.58 2roq s TYR 174 N 7.49 1.62 0.28 0.56 -0.85 -1.26 -4.55 117.35 120.64 2roq s TYR 174 Ca 0.72 -1.37 -0.06 0.00 -0.52 0.00 0.00 57.07 55.84 2roq s TYR 174 Cb -0.17 -0.87 -0.06 0.00 0.38 0.00 0.00 41.96 41.24 2roq s TYR 174 CO 0.29 -0.52 0.56 0.71 -1.52 0.00 0.00 175.55 175.07 2roq s TYR 175 N -3.58 3.47 0.24 -3.49 2.02 -1.26 -2.62 117.35 112.12 2roq s TYR 175 Ca 0.35 0.70 -0.16 0.00 -0.37 0.00 0.00 57.07 57.59 2roq s TYR 175 Cb 0.05 -2.14 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 2roq s TYR 175 CO 0.18 0.17 0.54 -1.17 -1.57 0.00 0.00 175.55 173.70 2roq s LEU 176 N -3.45 0.13 -0.16 -1.29 0.20 -0.73 -3.19 118.68 110.19 2roq s LEU 176 Ca 0.45 -0.71 -0.14 0.00 0.69 0.00 0.00 54.13 54.41 2roq s LEU 176 Cb -0.11 2.09 0.04 0.00 -0.43 0.00 0.00 46.19 47.78 2roq s LEU 176 CO 0.29 -1.15 0.43 -0.22 -0.29 0.00 0.00 176.35 175.40 2roq s LEU 177 N -2.95 0.32 0.15 -0.68 2.96 -1.21 -0.09 118.68 117.19 2roq s LEU 177 Ca 0.15 0.87 0.07 0.00 -0.22 0.00 0.00 54.13 55.01 2roq s LEU 177 Cb -0.02 1.46 -0.04 0.00 0.50 0.00 0.00 46.19 48.09 2roq s LEU 177 CO 0.05 -0.15 -0.16 -0.83 -1.32 0.00 0.00 176.35 173.93 2roq s GLY 178 N 0.32 1.27 -0.02 7.98 0.00 0.98 -1.99 107.32 115.86 2roq s GLY 178 Ca -0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.25 2roq s GLY 178 CO -0.01 -1.51 0.06 -0.47 0.00 0.00 0.00 173.10 171.17 2roq s TYR 179 N -2.26 -0.05 0.00 1.90 5.04 -1.26 -3.46 117.35 117.25 2roq s TYR 179 Ca 0.14 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 2roq s TYR 179 Cb -0.04 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.23 2roq s TYR 179 CO 0.05 -0.05 0.00 0.43 -1.34 0.00 0.00 175.55 174.64 2roq n SER 180 N 3.36 0.00 -0.42 4.32 7.64 -1.25 -1.66 113.62 125.61 2roq n SER 180 Ca -0.16 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.83 2roq n SER 180 Cb 0.57 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.87 2roq n SER 180 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2roq n LEU 181 N 0.00 1.74 -0.13 -3.43 4.77 -1.26 -4.34 117.00 114.35 2roq n LEU 181 Ca 0.00 -0.62 0.28 0.00 -0.03 0.00 0.00 56.01 55.64 2roq n LEU 181 Cb 0.00 -0.03 0.72 0.00 -2.33 0.00 0.00 43.42 41.77 2roq n LEU 181 CO 0.00 0.32 1.25 1.23 -1.33 0.00 0.00 177.39 178.87 2roq h GLY 182 N 4.87 0.00 0.00 -0.72 0.00 -1.60 -2.09 103.07 103.53 2roq h GLY 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2roq h GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2roq n GLY 183 N -1.66 -2.69 0.23 4.60 0.00 -1.26 0.14 105.19 104.55 2roq n GLY 183 Ca 0.17 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 2roq n GLY 183 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2roq h THR 184 N 0.00 1.04 -0.15 2.61 2.02 -1.85 -2.06 112.91 114.52 2roq h THR 184 Ca 0.00 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.00 2roq h THR 184 Cb 0.00 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.69 2roq h THR 184 CO 0.00 0.12 -0.14 -0.07 0.37 0.00 0.00 175.52 175.80 2roq h LEU 185 N 0.65 -0.44 -0.69 2.58 -0.00 -1.39 -1.96 115.31 114.06 2roq h LEU 185 Ca 0.23 0.09 0.07 0.00 -0.00 0.00 0.00 57.88 58.27 2roq h LEU 185 Cb 0.06 0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 40.88 2roq h LEU 185 CO -0.12 -0.18 0.38 0.00 -0.00 0.00 0.00 178.44 178.52 2roq h ALA 186 N 0.93 0.93 0.13 1.53 0.00 0.01 -1.89 119.26 120.90 2roq h ALA 186 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2roq h ALA 186 Cb 0.31 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2roq h ALA 186 CO -0.25 0.04 -0.34 1.96 0.00 0.00 0.00 179.25 180.66 2roq h GLN 187 N 0.69 -0.56 -0.53 0.00 4.20 -0.69 0.26 115.11 118.48 2roq h GLN 187 Ca 0.31 0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.13 2roq h GLN 187 Cb 0.22 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 2roq h GLN 187 CO -0.20 -0.37 0.22 0.78 -0.67 0.00 0.00 178.83 178.59 2roq h GLY 188 N -0.58 0.73 0.97 3.46 0.00 -1.07 -2.01 103.07 104.58 2roq h GLY 188 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2roq h GLY 188 CO -0.19 0.05 0.24 -2.22 0.00 0.00 0.00 176.54 174.41 2roq h ILE 189 N 0.43 1.20 -0.37 2.60 2.04 -0.95 -2.08 117.51 120.37 2roq h ILE 189 Ca 0.25 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.60 2roq h ILE 189 Cb 0.23 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 2roq h ILE 189 CO -0.22 0.22 0.03 0.00 0.00 0.00 0.00 178.15 178.18 2roq h ALA 190 N 1.08 0.36 -0.67 1.87 0.00 0.06 -1.51 119.26 120.45 2roq h ALA 190 Ca 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2roq h ALA 190 Cb 0.13 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2roq h ALA 190 CO -0.02 -0.37 0.29 0.00 0.00 0.00 0.00 179.25 179.14 2roq h ALA 191 N 1.31 1.24 -0.93 0.00 0.00 -1.21 -2.01 119.26 117.65 2roq h ALA 191 Ca 0.18 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2roq h ALA 191 Cb 0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2roq h ALA 191 CO -0.28 0.57 0.61 0.00 0.00 0.00 0.00 179.25 180.15 2roq h ARG 192 N 0.96 1.16 0.05 0.00 2.47 -0.59 -2.08 114.38 116.35 2roq h ARG 192 Ca 0.23 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.88 2roq h ARG 192 Cb 0.16 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.22 2roq h ARG 192 CO -0.02 0.77 -0.02 -0.07 0.56 0.00 0.00 179.97 181.18 2roq h LEU 193 N 1.19 -0.06 -1.95 3.04 3.38 -0.92 0.28 115.31 120.29 2roq h LEU 193 Ca 0.36 -0.49 0.14 0.00 0.09 0.00 0.00 57.88 57.98 2roq h LEU 193 Cb -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2roq h LEU 193 CO -0.10 0.49 0.49 -0.09 0.09 0.00 0.00 178.44 179.32 2roq h ARG 194 N -0.62 0.00 0.00 1.13 2.43 -1.13 0.21 114.38 116.40 2roq h ARG 194 Ca -0.01 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2roq h ARG 194 Cb 0.55 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2roq h ARG 194 CO 0.01 0.00 -2.02 0.00 -1.51 0.00 0.00 179.97 176.45 2roq n ALA 195 N -2.40 2.21 0.55 2.80 0.00 -0.80 -4.15 120.51 118.73 2roq n ALA 195 Ca 0.09 -0.80 0.12 0.00 0.00 0.00 0.00 53.44 52.85 2roq n ALA 195 Cb 0.70 -0.59 0.45 0.00 0.00 0.00 0.00 19.45 20.01 2roq n ALA 195 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2roq n ARG 196 N -2.54 0.16 0.00 0.00 0.63 0.98 -4.87 116.66 111.03 2roq n ARG 196 Ca -0.15 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2roq n ARG 196 Cb 0.82 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.97 2roq n ARG 196 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2roq n GLY 197 N 0.58 2.02 4.01 5.14 0.00 -0.57 -5.04 105.19 111.32 2roq n GLY 197 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 2.55 0.23 1.61 0.41 -0.62 -4.99 118.70 117.75 2roq s GLU 198 Ca 0.00 -1.30 0.07 0.00 -0.41 0.00 0.00 54.97 53.32 2roq s GLU 198 Cb 0.00 -2.66 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 2roq s GLU 198 CO 0.00 -0.59 -0.09 1.14 -0.49 0.00 0.00 175.26 175.22 2roq s GLN 199 N -4.56 1.41 -0.26 1.61 -2.07 -1.26 -2.62 119.66 111.90 2roq s GLN 199 Ca 0.58 -1.67 -0.07 0.00 -1.82 0.00 0.00 55.36 52.38 2roq s GLN 199 Cb -0.08 -1.06 -0.02 0.00 -1.09 0.00 0.00 33.01 30.76 2roq s GLN 199 CO 0.36 0.09 0.08 0.14 -1.32 0.00 0.00 175.29 174.64 2roq s VAL 200 N -3.05 4.21 -0.06 3.63 -7.23 -1.26 -0.73 120.40 115.91 2roq s VAL 200 Ca 0.26 -0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 59.91 2roq s VAL 200 Cb 0.02 -3.03 -0.13 0.00 0.56 0.00 0.00 36.38 33.80 2roq s VAL 200 CO 0.09 0.26 0.73 0.00 -0.31 0.00 0.00 175.10 175.86 2roq h ALA 201 N 8.24 -0.27 -1.37 1.32 0.00 -1.80 -3.41 119.26 121.97 2roq h ALA 201 Ca -0.36 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.45 2roq h ALA 201 Cb 1.16 0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.85 2roq h ALA 201 CO 0.59 -0.31 -0.16 0.12 0.00 0.00 0.00 179.25 179.48 2roq s PHE 202 N -3.18 -1.40 -0.13 0.00 5.36 -1.08 -4.47 117.98 113.09 2roq s PHE 202 Ca -0.11 1.88 -0.03 0.00 -0.96 0.00 0.00 56.93 57.72 2roq s PHE 202 Cb 0.00 0.64 -0.03 0.00 -0.34 0.00 0.00 43.02 43.29 2roq s PHE 202 CO 0.38 -0.73 -0.02 -0.51 -1.46 0.00 0.00 175.22 172.88 2roq s LEU 203 N 2.86 3.39 -0.10 6.12 1.02 -1.22 -1.78 118.68 128.97 2roq s LEU 203 Ca 0.08 -0.02 -0.22 0.00 0.02 0.00 0.00 54.13 53.99 2roq s LEU 203 Cb -0.13 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 2roq s LEU 203 CO -0.19 0.25 0.63 -0.83 0.02 0.00 0.00 176.35 176.23 2roq s GLY 204 N -0.14 2.49 -0.22 -3.19 0.00 0.87 -2.72 107.32 104.41 2roq s GLY 204 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.71 2roq s GLY 204 CO 0.02 1.09 0.10 1.08 0.00 0.00 0.00 173.10 175.39 2roq s LEU 205 N 0.89 0.49 0.16 0.66 1.02 -0.57 -0.02 118.68 121.32 2roq s LEU 205 Ca 0.33 -0.89 0.08 0.00 0.02 0.00 0.00 54.13 53.68 2roq s LEU 205 Cb -0.17 -0.31 -0.04 0.00 0.02 0.00 0.00 46.19 45.69 2roq s LEU 205 CO 0.15 -0.38 -0.07 -1.48 0.02 0.00 0.00 176.35 174.59 2roq s LEU 206 N 2.10 3.09 -0.64 1.79 0.05 -1.22 -1.68 118.68 122.16 2roq s LEU 206 Ca 0.05 -0.48 -0.03 0.00 0.05 0.00 0.00 54.13 53.71 2roq s LEU 206 Cb -0.16 -1.79 -0.03 0.00 -2.05 0.00 0.00 46.19 42.16 2roq s LEU 206 CO -0.19 0.11 0.57 -0.67 -0.55 0.00 0.00 176.35 175.62 2roq n ASP 207 N 0.11 -5.39 -3.64 1.48 -0.08 0.91 -3.97 116.55 105.98 2roq n ASP 207 Ca -0.11 -0.34 -0.09 0.00 -1.51 0.00 0.00 54.79 52.73 2roq n ASP 207 Cb 0.55 -3.76 -0.07 0.00 2.34 0.00 0.00 41.12 40.18 2roq n ASP 207 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2roq s THR 208 N -3.18 0.00 -0.42 5.18 2.01 -0.22 -4.75 115.64 114.26 2roq s THR 208 Ca 0.21 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.29 2roq s THR 208 Cb -0.03 -1.00 0.25 0.00 0.01 0.00 0.00 72.50 71.73 2roq s THR 208 CO 0.50 0.00 0.62 -2.67 -0.69 0.00 0.00 174.62 172.38 2roq n TRP 209 N 3.61 -1.13 -2.10 4.92 4.27 -1.26 -4.00 117.44 121.75 2roq n TRP 209 Ca -0.17 -3.10 -0.43 0.00 -3.89 0.00 0.00 57.50 49.91 2roq n TRP 209 Cb 0.57 0.15 -0.03 0.00 -1.36 0.00 0.00 31.31 30.64 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -2.29 0.00 0.00 177.69 174.15 2roq s PRO 210 N -0.73 3.59 0.23 -2.67 0.04 -1.26 -4.89 135.00 129.31 2roq s PRO 210 Ca 0.34 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 2roq s PRO 210 Cb 0.19 -4.10 0.23 0.00 0.04 0.00 0.00 34.50 30.87 2roq s PRO 210 CO -0.14 -1.55 1.59 -1.00 0.04 0.00 0.00 177.00 175.94 2roq h PRO 211 N 11.55 0.50 -0.02 0.56 0.13 -1.95 -3.42 132.00 139.34 2roq h PRO 211 Ca -0.33 -0.27 -0.08 0.00 -0.87 0.00 0.00 66.00 64.45 2roq h PRO 211 Cb 1.15 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 2roq h PRO 211 CO 1.02 0.84 -0.11 -1.91 -0.23 0.00 0.00 178.00 177.62 2roq n GLU 212 N -4.01 0.21 -1.95 0.86 2.13 -1.26 -4.94 120.64 111.68 2roq n GLU 212 Ca -0.02 -0.84 -0.19 0.00 0.66 0.00 0.00 57.16 56.77 2roq n GLU 212 Cb 0.53 -0.37 -0.05 0.00 0.27 0.00 0.00 31.44 31.82 2roq n GLU 212 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2roq n THR 213 N 1.63 -0.42 -4.74 6.31 -1.04 -1.26 -4.95 114.28 109.82 2roq n THR 213 Ca 0.03 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.72 2roq n THR 213 Cb 0.69 -2.21 -0.07 0.00 -1.82 0.00 0.00 70.33 66.92 2roq n THR 213 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2roq s GLN 214 N -4.27 2.19 0.47 -2.82 -1.52 -1.26 -5.15 119.66 107.30 2roq s GLN 214 Ca 0.00 -2.41 0.02 0.00 -1.95 0.00 0.00 55.36 51.02 2roq s GLN 214 Cb 0.00 -1.32 -0.01 0.00 -0.22 0.00 0.00 33.01 31.46 2roq s GLN 214 CO 0.00 -0.44 0.08 0.54 -0.25 0.00 0.00 175.29 175.22 2roq s ASN 215 N -3.85 3.46 0.01 5.90 2.20 -1.26 -4.47 114.94 116.93 2roq s ASN 215 Ca 0.05 -1.71 0.22 0.00 -0.94 0.00 0.00 52.86 50.48 2roq s ASN 215 Cb 0.00 0.61 -0.24 0.00 -2.00 0.00 0.00 41.25 39.63 2roq s ASN 215 CO 0.03 -0.95 0.68 -2.67 -2.94 0.00 0.00 177.10 171.25 2roq n TRP 216 N -1.11 0.12 0.27 1.54 2.14 -1.26 -4.16 117.44 114.98 2roq n TRP 216 Ca -0.13 0.04 0.14 0.00 2.07 0.00 0.00 57.50 59.61 2roq n TRP 216 Cb 0.66 -0.44 0.66 0.00 -0.81 0.00 0.00 31.31 31.38 2roq n TRP 216 CO 0.00 0.00 0.00 0.37 2.07 0.00 0.00 177.69 180.13 2roq h GLN 217 N 0.00 0.00 -0.55 -2.67 5.75 -1.97 -2.66 115.11 113.02 2roq h GLN 217 Ca 0.00 0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.66 2roq h GLN 217 Cb 0.87 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 2roq h GLN 217 CO 0.00 0.00 0.52 1.49 -2.65 0.00 0.00 178.83 178.19 2roq h GLU 218 N 0.00 0.00 -1.33 1.69 4.81 -2.00 -3.30 114.58 114.45 2roq h GLU 218 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 2roq h GLU 218 Cb 0.15 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.31 2roq h GLU 218 CO 0.00 0.00 -0.56 0.15 -0.73 0.00 0.00 179.01 177.87 2roq s LYS 219 N -4.70 0.85 0.60 1.92 1.02 -1.00 -4.99 119.74 113.43 2roq s LYS 219 Ca -0.04 -0.74 0.30 0.00 0.02 0.00 0.00 55.97 55.51 2roq s LYS 219 Cb 0.17 -0.25 1.74 0.00 -0.52 0.00 0.00 37.83 38.97 2roq s LYS 219 CO 0.60 -1.24 2.12 1.05 -0.92 0.00 0.00 175.35 176.96 2roq h GLU 220 N 6.43 0.00 -0.68 1.68 4.11 -1.72 0.28 114.58 124.68 2roq h GLU 220 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2roq h GLU 220 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2roq h GLU 220 CO 0.12 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.20 2roq n ALA 221 N -2.28 3.43 -2.16 1.06 0.00 -1.26 -2.47 120.51 116.83 2roq n ALA 221 Ca 0.01 -1.36 -0.02 0.00 0.00 0.00 0.00 53.44 52.06 2roq n ALA 221 Cb 0.29 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 0.51 -0.15 0.00 0.00 5.15 0.94 -4.94 115.26 116.77 2roq n ASN 222 Ca 0.20 -1.88 0.00 0.00 -0.60 0.00 0.00 54.58 52.30 2roq n ASN 222 Cb 0.91 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 40.19 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2roq n GLY 223 N 0.16 0.00 3.24 8.20 0.00 -1.02 -4.93 105.19 110.85 2roq n GLY 223 Ca -0.11 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2roq n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2roq s LEU 224 N -0.13 5.93 0.57 0.99 1.43 -1.03 -4.71 118.68 121.73 2roq s LEU 224 Ca 0.00 -2.07 -0.18 0.00 -1.03 0.00 0.00 54.13 50.85 2roq s LEU 224 Cb 0.00 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2roq s LEU 224 CO 0.00 -0.69 1.10 -1.81 0.23 0.00 0.00 176.35 175.18 2roq s ASP 225 N 2.67 5.67 0.00 2.29 1.11 -1.26 -4.58 116.67 122.57 2roq s ASP 225 Ca 0.08 2.06 0.16 0.00 0.18 0.00 0.00 52.55 55.02 2roq s ASP 225 Cb -0.24 -2.57 0.90 0.00 1.07 0.00 0.00 42.92 42.08 2roq s ASP 225 CO -0.01 -1.25 1.36 -0.81 1.18 0.00 0.00 175.17 175.64 2roq n PRO 226 N -1.60 0.43 0.08 8.23 -0.04 -1.26 -2.65 135.00 138.20 2roq n PRO 226 Ca 0.11 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.39 2roq n PRO 226 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 2roq n PRO 226 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2roq h GLU 227 N 0.00 0.37 0.04 0.54 5.08 -1.97 -2.64 114.58 115.99 2roq h GLU 227 Ca 0.00 -0.63 -0.24 0.00 -1.00 0.00 0.00 59.36 57.49 2roq h GLU 227 Cb 0.03 0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.52 2roq h GLU 227 CO 0.00 1.27 -1.03 -0.24 -1.00 0.00 0.00 179.01 178.01 2roq h VAL 228 N 0.10 1.41 -0.09 3.13 3.04 -1.85 -2.34 116.25 119.65 2roq h VAL 228 Ca -0.29 -2.58 -0.10 0.00 -1.01 0.00 0.00 66.70 62.72 2roq h VAL 228 Cb 2.08 2.56 0.00 0.00 -2.01 0.00 0.00 31.29 33.92 2roq h VAL 228 CO 0.19 0.77 -0.33 -0.07 -1.01 0.00 0.00 177.57 177.12 2roq h LEU 229 N 0.20 0.44 -1.48 3.16 3.38 -1.69 -2.11 115.31 117.20 2roq h LEU 229 Ca -0.10 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 2roq h LEU 229 Cb 1.69 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 2roq h LEU 229 CO 0.18 0.99 -0.03 0.00 0.09 0.00 0.00 178.44 179.67 2roq h ALA 230 N 0.46 1.01 0.00 1.53 0.00 -1.57 -2.12 119.26 118.57 2roq h ALA 230 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2roq h ALA 230 Cb 0.97 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2roq h ALA 230 CO 0.07 0.03 -0.01 0.93 0.00 0.00 0.00 179.25 180.28 2roq h GLU 231 N 0.00 0.00 -0.53 0.00 5.08 -1.36 -2.12 114.58 115.65 2roq h GLU 231 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2roq h GLU 231 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2roq h GLU 231 CO 0.00 0.62 0.28 -0.84 -1.00 0.00 0.00 179.01 178.07 2roq h ILE 232 N -1.00 1.17 0.35 3.13 3.07 -1.38 0.17 117.51 123.01 2roq h ILE 232 Ca -0.00 -0.43 -0.02 0.00 1.55 0.00 0.00 64.86 65.96 2roq h ILE 232 Cb 0.62 0.46 0.00 0.00 -0.27 0.00 0.00 36.82 37.63 2roq h ILE 232 CO -0.00 0.19 -0.17 -1.13 -1.05 0.00 0.00 178.15 175.99 2roq h ASN 233 N 0.74 -0.39 -0.95 2.16 -1.24 -1.51 -2.13 115.58 112.26 2roq h ASN 233 Ca 0.19 -0.04 0.09 0.00 0.71 0.00 0.00 56.30 57.25 2roq h ASN 233 Cb 0.03 0.10 -0.07 0.00 0.73 0.00 0.00 38.32 39.11 2roq h ASN 233 CO -0.03 0.06 0.59 0.03 -1.29 0.00 0.00 177.43 176.79 2roq h ARG 234 N -1.09 0.97 0.00 6.67 3.08 -1.34 0.17 114.38 122.84 2roq h ARG 234 Ca -0.05 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 2roq h ARG 234 Cb 0.41 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2roq h ARG 234 CO 0.08 0.64 -0.33 1.49 -1.07 0.00 0.00 179.97 180.78 2roq h GLU 235 N 1.00 0.00 -0.11 0.04 4.57 -0.74 0.30 114.58 119.64 2roq h GLU 235 Ca 0.44 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.40 2roq h GLU 235 Cb 0.33 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2roq h GLU 235 CO -0.22 0.33 -0.81 0.00 -1.18 0.00 0.00 179.01 177.13 2roq h ARG 236 N 0.00 0.74 0.00 1.92 -0.00 -0.30 -0.89 114.38 115.84 2roq h ARG 236 Ca -0.00 -0.65 0.00 0.00 -0.50 0.00 0.00 59.98 58.83 2roq h ARG 236 Cb 0.58 0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.70 2roq h ARG 236 CO 0.04 1.25 -0.26 1.49 0.00 0.00 0.00 179.97 182.49 2roq h GLU 237 N 0.45 0.00 0.00 0.04 4.81 -0.99 -2.11 114.58 116.78 2roq h GLU 237 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2roq h GLU 237 Cb 1.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.83 2roq h GLU 237 CO 0.16 0.00 -0.88 0.00 -0.73 0.00 0.00 179.01 177.56 2roq n ALA 238 N -2.11 3.09 -0.13 2.92 0.00 0.10 -3.17 120.51 121.21 2roq n ALA 238 Ca 0.03 -0.32 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 2roq n ALA 238 Cb 0.53 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.11 0.20 -0.17 0.00 -0.00 -0.34 -3.27 117.46 111.77 2roq n PHE 239 Ca 0.02 0.09 -0.06 0.00 -0.00 0.00 0.00 57.45 57.50 2roq n PHE 239 Cb 0.45 -0.98 0.10 0.00 -0.00 0.00 0.00 39.48 39.06 2roq n PHE 239 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2roq h LEU 240 N -1.00 0.91 -1.11 -2.13 7.12 -1.58 -2.29 115.31 115.23 2roq h LEU 240 Ca -0.59 -0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.20 2roq h LEU 240 Cb 1.50 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.39 2roq h LEU 240 CO -0.35 0.94 0.00 0.00 -0.13 0.00 0.00 178.44 178.90 2roq n ALA 241 N -2.47 2.55 0.23 1.25 0.00 -1.19 -4.26 120.51 116.62 2roq n ALA 241 Ca 0.03 -0.50 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 2roq n ALA 241 Cb 0.30 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 2roq n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq h ALA 242 N 4.29 -0.62 0.00 0.00 0.00 -1.39 -3.35 119.26 118.19 2roq h ALA 242 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2roq h ALA 242 Cb 0.54 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2roq h ALA 242 CO 0.00 -0.68 -0.02 0.37 0.00 0.00 0.00 179.25 178.92 2roq h GLN 243 N -0.95 -0.02 -1.62 0.00 5.75 -1.74 -3.45 115.11 113.08 2roq h GLN 243 Ca -0.06 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.55 2roq h GLN 243 Cb 0.58 0.00 -0.22 0.00 1.07 0.00 0.00 27.48 28.92 2roq h GLN 243 CO 0.10 -0.01 0.02 -1.14 -2.65 0.00 0.00 178.83 175.16 2roq s GLN 244 N -3.08 0.47 -0.86 1.69 0.74 -1.26 -5.11 119.66 112.26 2roq s GLN 244 Ca -0.00 1.16 -0.25 0.00 0.05 0.00 0.00 55.36 56.31 2roq s GLN 244 Cb 0.00 0.66 0.04 0.00 1.10 0.00 0.00 33.01 34.80 2roq s GLN 244 CO 0.02 -0.16 1.37 0.20 -0.55 0.00 0.00 175.29 176.17 2roq s GLY 245 N 2.62 1.03 -0.13 2.59 0.00 -1.26 -4.76 107.32 107.42 2roq s GLY 245 Ca -0.05 -1.75 0.16 0.00 0.00 0.00 0.00 44.72 43.08 2roq s GLY 245 CO -0.18 2.68 1.28 -1.14 0.00 0.00 0.00 173.10 175.74 2roq n SER 246 N 9.25 3.11 -3.91 1.64 3.41 -1.26 -4.95 113.62 120.90 2roq n SER 246 Ca 0.17 -2.87 -0.27 0.00 -0.26 0.00 0.00 58.87 55.64 2roq n SER 246 Cb 0.50 -0.43 -0.17 0.00 -0.26 0.00 0.00 64.21 63.85 2roq n SER 246 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2roq s THR 247 N -2.53 1.06 0.00 6.66 2.01 -1.26 -5.06 115.64 116.51 2roq s THR 247 Ca 0.34 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.02 2roq s THR 247 Cb 0.27 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.71 2roq s THR 247 CO 0.07 0.37 0.89 -1.20 -0.69 0.00 0.00 174.62 174.06 2roq n SER 248 N 4.91 0.00 -0.30 3.53 7.64 -1.26 -4.56 113.62 123.58 2roq n SER 248 Ca -0.13 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.65 2roq n SER 248 Cb 0.50 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2roq n SER 248 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2roq n THR 249 N -2.13 0.00 -0.00 0.44 -1.04 -1.26 -4.87 114.28 105.41 2roq n THR 249 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2roq n THR 249 Cb 0.00 0.43 -0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2roq h GLU 250 N 0.00 -0.05 -0.18 -2.82 3.07 -1.99 -2.11 114.58 110.50 2roq h GLU 250 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 2roq h GLU 250 Cb 1.15 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 2roq h GLU 250 CO 0.00 -0.03 0.03 1.25 -1.40 0.00 0.00 179.01 178.86 2roq h LEU 251 N -0.52 0.23 0.37 1.33 6.46 -1.93 -2.10 115.31 119.16 2roq h LEU 251 Ca -0.01 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2roq h LEU 251 Cb 0.04 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2roq h LEU 251 CO 0.01 0.25 -0.18 -0.26 -0.62 0.00 0.00 178.44 177.64 2roq h PHE 252 N 0.26 -0.46 -0.97 1.25 0.04 -1.87 -2.11 116.94 113.07 2roq h PHE 252 Ca 0.06 -0.01 0.21 0.00 2.80 0.00 0.00 57.97 61.03 2roq h PHE 252 Cb 0.13 0.15 -0.09 0.00 2.20 0.00 0.00 35.95 38.34 2roq h PHE 252 CO 0.00 -0.17 0.62 1.15 -0.60 0.00 0.00 178.31 179.31 2roq h THR 253 N -1.03 0.66 -0.10 -1.55 2.02 -1.27 0.16 112.91 111.80 2roq h THR 253 Ca -0.05 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2roq h THR 253 Cb 0.50 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2roq h THR 253 CO 0.08 0.10 -0.05 0.71 0.37 0.00 0.00 175.52 176.73 2roq h THR 254 N 0.53 1.33 0.71 3.16 1.35 -1.40 0.23 112.91 118.83 2roq h THR 254 Ca 0.53 -1.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.26 2roq h THR 254 Cb 1.14 1.86 0.01 0.00 -1.73 0.00 0.00 68.15 69.43 2roq h THR 254 CO -0.27 0.31 -0.34 0.40 -0.25 0.00 0.00 175.52 175.37 2roq h ILE 255 N -0.17 0.00 0.20 6.82 1.08 -0.47 -1.41 117.51 123.56 2roq h ILE 255 Ca 0.02 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2roq h ILE 255 Cb 0.52 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2roq h ILE 255 CO 0.02 0.00 -0.11 -0.08 -0.69 0.00 0.00 178.15 177.28 2roq h GLU 256 N -1.15 -0.29 -0.03 2.37 4.81 -0.86 -1.67 114.58 117.77 2roq h GLU 256 Ca -0.10 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2roq h GLU 256 Cb 0.73 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 2roq h GLU 256 CO 0.16 -0.19 0.16 0.78 -0.73 0.00 0.00 179.01 179.19 2roq h GLY 257 N -0.30 0.00 0.93 1.92 0.00 -0.61 -1.15 103.07 103.87 2roq h GLY 257 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.02 2roq h GLY 257 CO 0.02 0.00 -1.34 -0.57 0.00 0.00 0.00 176.54 174.66 2roq h ASN 258 N 0.00 0.64 -0.66 0.19 -1.24 -0.37 -2.13 115.58 112.01 2roq h ASN 258 Ca 0.01 -0.92 -0.07 0.00 0.71 0.00 0.00 56.30 56.03 2roq h ASN 258 Cb 0.34 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 2roq h ASN 258 CO -0.00 1.63 0.14 0.10 -1.29 0.00 0.00 177.43 178.01 2roq h TYR 259 N -0.07 1.14 -0.02 0.67 -0.00 -0.52 0.18 116.97 118.36 2roq h TYR 259 Ca -0.25 -0.14 -0.20 0.00 0.00 0.00 0.00 58.73 58.14 2roq h TYR 259 Cb 1.95 -0.32 0.01 0.00 0.00 0.00 0.00 36.73 38.38 2roq h TYR 259 CO 0.14 0.94 -0.75 0.00 -0.00 0.00 0.00 178.16 178.49 2roq h ALA 260 N 1.12 0.12 -0.42 0.10 0.00 -1.49 -2.13 119.26 116.56 2roq h ALA 260 Ca 0.21 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 2roq h ALA 260 Cb 0.39 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2roq h ALA 260 CO 0.01 0.49 -0.14 -0.44 0.00 0.00 0.00 179.25 179.17 2roq h ASP 261 N 0.13 0.75 -0.09 0.00 5.19 -1.29 -0.83 116.42 120.29 2roq h ASP 261 Ca -0.09 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.05 2roq h ASP 261 Cb 1.44 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 2roq h ASP 261 CO 0.15 0.91 -0.10 0.00 -3.12 0.00 0.00 179.24 177.07 2roq h ALA 262 N 1.16 0.13 0.00 3.45 0.00 -0.68 0.36 119.26 123.68 2roq h ALA 262 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2roq h ALA 262 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2roq h ALA 262 CO 0.04 -0.03 0.00 1.33 0.00 0.00 0.00 179.25 180.60 2roq n VAL 263 N -4.66 0.78 -0.02 0.00 0.24 -0.80 -0.82 118.33 113.05 2roq n VAL 263 Ca -0.07 0.19 0.06 0.00 -2.04 0.00 0.00 64.34 62.48 2roq n VAL 263 Cb 0.33 -0.91 -0.13 0.00 -1.47 0.00 0.00 33.84 31.67 2roq n VAL 263 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2roq n ARG 264 N -1.58 0.64 -0.00 7.34 0.63 -0.32 -4.41 116.66 118.96 2roq n ARG 264 Ca 0.04 -0.13 0.10 0.00 -0.92 0.00 0.00 57.85 56.94 2roq n ARG 264 Cb 0.21 -1.39 -0.10 0.00 0.45 0.00 0.00 32.46 31.64 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2roq n LEU 265 N -2.13 0.84 0.24 6.15 -0.00 0.12 -4.21 117.00 118.01 2roq n LEU 265 Ca -0.06 -0.40 0.16 0.00 -0.00 0.00 0.00 56.01 55.71 2roq n LEU 265 Cb 0.50 -0.02 0.85 0.00 -0.00 0.00 0.00 43.42 44.75 2roq n LEU 265 CO 0.34 0.21 0.98 0.17 -0.00 0.00 0.00 177.39 179.09 2roq h LEU 266 N 0.00 0.00 0.00 1.47 -0.00 -1.19 0.12 115.31 115.71 2roq h LEU 266 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2roq h LEU 266 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 2roq h LEU 266 CO 0.00 0.00 -1.98 1.07 -0.00 0.00 0.00 178.44 177.53 2roq n THR 267 N -2.62 0.18 0.04 0.15 5.66 -1.26 -4.36 114.28 112.07 2roq n THR 267 Ca -0.02 -0.54 -0.14 0.00 -3.05 0.00 0.00 64.05 60.30 2roq n THR 267 Cb 0.07 -0.07 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 2roq n THR 267 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2roq h THR 268 N 0.00 1.13 -1.86 1.09 2.02 -1.28 -3.47 112.91 110.55 2roq h THR 268 Ca -0.05 -2.84 -0.17 0.00 0.77 0.00 0.00 66.41 64.12 2roq h THR 268 Cb 1.12 2.68 0.10 0.00 -1.74 0.00 0.00 68.15 70.32 2roq h THR 268 CO 0.00 0.78 -0.08 0.00 0.37 0.00 0.00 175.52 176.59 2roq n ALA 269 N -2.62 -2.43 -2.54 6.16 0.00 -0.15 -5.05 120.51 113.88 2roq n ALA 269 Ca -0.15 -0.71 -0.24 0.00 0.00 0.00 0.00 53.44 52.34 2roq n ALA 269 Cb 1.03 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 20.33 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 -1.50 2.55 0.09 0.00 3.76 -1.26 -5.04 115.29 113.88 2roq s HIS 270 Ca 0.31 -0.41 -0.19 0.00 -0.15 0.00 0.00 55.06 54.63 2roq s HIS 270 Cb -0.05 -1.43 0.04 0.00 1.11 0.00 0.00 32.58 32.25 2roq s HIS 270 CO 0.26 0.51 0.45 -1.54 -0.85 0.00 0.00 174.74 173.57 2roq s SER 271 N -3.70 -0.33 -0.12 1.40 1.04 -1.26 -4.87 113.70 105.86 2roq s SER 271 Ca 0.34 -0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.60 2roq s SER 271 Cb -0.01 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2roq s SER 271 CO 0.19 -0.79 0.30 -0.69 0.98 0.00 0.00 173.24 173.23 2roq s VAL 272 N -3.17 -0.02 0.65 5.02 1.01 -1.26 -4.90 120.40 117.72 2roq s VAL 272 Ca -0.01 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2roq s VAL 272 Cb 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2roq s VAL 272 CO -0.07 0.04 1.11 -2.16 0.00 0.00 0.00 175.10 174.01 2roq s PRO 273 N 0.94 2.86 0.19 2.72 0.04 -1.26 -2.71 135.00 137.77 2roq s PRO 273 Ca -0.06 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.47 2roq s PRO 273 Cb -0.07 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2roq s PRO 273 CO -0.07 -1.21 -0.16 -0.59 0.04 0.00 0.00 177.00 175.02 2roq s PHE 274 N -2.28 1.73 -0.55 0.56 -0.71 -1.26 -4.52 117.98 110.95 2roq s PHE 274 Ca 0.68 -0.53 0.03 0.00 -1.04 0.00 0.00 56.93 56.06 2roq s PHE 274 Cb -0.21 -0.83 0.14 0.00 -1.21 0.00 0.00 43.02 40.91 2roq s PHE 274 CO 0.40 0.34 0.30 -0.51 -1.34 0.00 0.00 175.22 174.42 2roq s ASP 275 N -3.05 4.51 0.00 1.98 1.01 -1.26 -4.77 116.67 115.08 2roq s ASP 275 Ca 0.19 -3.02 0.00 0.00 0.71 0.00 0.00 52.55 50.44 2roq s ASP 275 Cb -0.03 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.22 2roq s ASP 275 CO 0.07 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.81 2roq n GLY 276 N 3.13 2.04 3.46 0.21 0.00 -1.26 -5.00 105.19 107.77 2roq n GLY 276 Ca 0.06 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 1.86 3.51 0.17 1.61 1.02 -1.26 -3.79 119.74 122.87 2roq s LYS 277 Ca 0.00 -0.58 -0.20 0.00 0.02 0.00 0.00 55.97 55.21 2roq s LYS 277 Cb 0.00 -2.79 0.05 0.00 -0.52 0.00 0.00 37.83 34.56 2roq s LYS 277 CO 0.00 0.27 0.55 0.00 -0.92 0.00 0.00 175.35 175.25 2roq s ALA 278 N 0.26 -1.25 -0.23 5.17 0.00 -1.22 -3.42 121.76 121.08 2roq s ALA 278 Ca -0.05 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 2roq s ALA 278 Cb -0.15 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 2roq s ALA 278 CO 0.04 -0.78 0.11 0.95 0.00 0.00 0.00 175.76 176.07 2roq s THR 279 N -3.81 4.81 -0.15 0.00 -4.23 -1.10 -3.45 115.64 107.71 2roq s THR 279 Ca 0.05 -0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.51 2roq s THR 279 Cb -0.01 -3.23 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 2roq s THR 279 CO -0.08 0.36 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.09 2roq s LEU 280 N 1.18 3.19 -0.25 4.79 2.96 -1.21 -1.52 118.68 127.82 2roq s LEU 280 Ca 0.06 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2roq s LEU 280 Cb -0.14 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.83 2roq s LEU 280 CO 0.04 0.17 -0.08 0.12 -1.32 0.00 0.00 176.35 175.28 2roq s PHE 281 N 0.35 3.14 -0.17 5.38 2.19 -0.68 -3.46 117.98 124.73 2roq s PHE 281 Ca -0.05 -1.90 -0.21 0.00 0.33 0.00 0.00 56.93 55.09 2roq s PHE 281 Cb -0.14 -2.01 -0.03 0.00 -1.31 0.00 0.00 43.02 39.53 2roq s PHE 281 CO 0.03 -0.81 0.65 0.14 1.83 0.00 0.00 175.22 177.07 2roq s VAL 282 N 1.23 5.02 -0.89 3.12 -7.23 -1.21 -0.06 120.40 120.37 2roq s VAL 282 Ca -0.04 1.26 -0.19 0.00 -1.81 0.00 0.00 61.98 61.20 2roq s VAL 282 Cb -0.18 -3.97 0.13 0.00 0.56 0.00 0.00 36.38 32.92 2roq s VAL 282 CO -0.05 0.13 1.09 0.00 -0.31 0.00 0.00 175.10 175.96 2roq s ALA 283 N 1.72 3.36 0.47 1.32 0.00 -1.26 -2.83 121.76 124.54 2roq s ALA 283 Ca 0.31 -2.67 0.40 0.00 0.00 0.00 0.00 51.96 49.99 2roq s ALA 283 Cb -0.16 -4.01 2.15 0.00 0.00 0.00 0.00 23.12 21.11 2roq s ALA 283 CO 0.11 -2.93 2.22 1.49 0.00 0.00 0.00 175.76 176.65 2roq h GLU 284 N 8.90 0.00 -0.44 0.00 4.81 -1.61 -1.37 114.58 124.86 2roq h GLU 284 Ca 0.10 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.46 2roq h GLU 284 Cb 1.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2roq h GLU 284 CO 1.11 0.00 0.36 0.00 -0.73 0.00 0.00 179.01 179.75 2roq h ARG 285 N 0.00 0.00 0.00 1.92 2.47 -1.80 -2.72 114.38 114.26 2roq h ARG 285 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2roq h ARG 285 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2roq h ARG 285 CO 0.00 0.00 -0.47 2.41 0.56 0.00 0.00 179.97 182.47 2roq n THR 286 N -4.14 0.00 -3.96 2.04 -1.04 -0.74 -4.90 114.28 101.55 2roq n THR 286 Ca 0.08 -0.19 -0.35 0.00 -2.04 0.00 0.00 64.05 61.54 2roq n THR 286 Cb 0.56 0.68 -0.12 0.00 -1.82 0.00 0.00 70.33 69.64 2roq n THR 286 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2roq s LEU 287 N -2.17 3.49 0.07 -4.42 2.96 -0.59 -4.73 118.68 113.28 2roq s LEU 287 Ca 0.00 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 2roq s LEU 287 Cb 0.00 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2roq s LEU 287 CO 0.00 0.06 0.08 -1.58 -1.32 0.00 0.00 176.35 173.59 2roq s GLN 288 N 1.03 2.89 0.36 1.98 2.00 -1.26 -4.31 119.66 122.35 2roq s GLN 288 Ca 0.03 -0.67 0.17 0.00 -2.00 0.00 0.00 55.36 52.90 2roq s GLN 288 Cb -0.14 -2.74 0.64 0.00 0.80 0.00 0.00 33.01 31.57 2roq s GLN 288 CO 0.03 0.58 1.72 1.49 -0.50 0.00 0.00 175.29 178.60 2roq h GLU 289 N 3.40 0.00 -0.71 1.67 4.81 -1.99 -3.08 114.58 118.69 2roq h GLU 289 Ca -0.47 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 58.97 2roq h GLU 289 Cb 1.16 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2roq h GLU 289 CO 0.65 0.41 0.53 0.78 -0.73 0.00 0.00 179.01 180.66 2roq h GLY 290 N 1.97 0.00 -7.65 1.92 0.00 -2.04 -3.34 103.07 93.93 2roq h GLY 290 Ca -0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 2roq h GLY 290 CO 0.05 0.00 -0.58 -0.29 0.00 0.00 0.00 176.54 175.72 2roq s MET 291 N -4.93 2.63 -0.31 4.80 1.75 -1.16 -4.93 119.30 117.14 2roq s MET 291 Ca -0.05 -1.21 -0.05 0.00 -1.25 0.00 0.00 55.69 53.13 2roq s MET 291 Cb 0.20 -3.52 0.26 0.00 2.84 0.00 0.00 34.83 34.61 2roq s MET 291 CO 0.72 -0.70 1.24 0.43 -0.65 0.00 0.00 175.02 176.07 2roq n SER 292 N 4.83 -1.11 -4.56 1.11 7.64 -1.26 -4.83 113.62 115.45 2roq n SER 292 Ca -0.12 -1.28 -0.32 0.00 1.01 0.00 0.00 58.87 58.16 2roq n SER 292 Cb 0.45 0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 64.17 2roq n SER 292 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2roq s PRO 293 N 0.34 2.58 -0.28 1.43 0.04 -1.26 -4.91 135.00 132.94 2roq s PRO 293 Ca 0.24 0.12 -0.32 0.00 0.04 0.00 0.00 61.00 61.08 2roq s PRO 293 Cb 0.19 -4.76 -0.09 0.00 0.04 0.00 0.00 34.50 29.88 2roq s PRO 293 CO -0.08 -3.09 2.19 -0.85 0.04 0.00 0.00 177.00 175.22 2roq n GLU 294 N 9.01 1.49 -3.39 4.56 0.28 -1.26 -4.90 120.64 126.43 2roq n GLU 294 Ca 0.31 0.41 -0.17 0.00 -0.16 0.00 0.00 57.16 57.55 2roq n GLU 294 Cb 0.49 -2.80 -0.09 0.00 1.43 0.00 0.00 31.44 30.48 2roq n GLU 294 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2roq s ARG 295 N 6.21 0.45 -0.23 3.44 6.06 -1.26 -5.12 118.95 128.49 2roq s ARG 295 Ca 1.05 -0.45 -0.27 0.00 -2.50 0.00 0.00 55.73 53.56 2roq s ARG 295 Cb -0.63 -0.70 0.00 0.00 0.06 0.00 0.00 34.95 33.68 2roq s ARG 295 CO 0.43 -1.10 0.95 0.00 -2.50 0.00 0.00 175.30 173.09 2roq s ALA 296 N 1.97 3.67 0.00 6.12 0.00 -1.26 -4.84 121.76 127.42 2roq s ALA 296 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2roq s ALA 296 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2roq s ALA 296 CO -0.21 -0.98 0.00 1.87 0.00 0.00 0.00 175.76 176.44 2roq n TRP 297 N 6.15 0.00 -2.69 0.00 -0.00 -1.26 -5.02 117.44 114.62 2roq n TRP 297 Ca 0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.54 2roq n TRP 297 Cb 0.47 0.11 0.07 0.00 -0.00 0.00 0.00 31.31 31.96 2roq n TRP 297 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 2roq n SER 298 N -2.39 -1.69 -4.77 5.87 7.64 -1.26 -5.16 113.62 111.85 2roq n SER 298 Ca 0.00 -2.17 -0.35 0.00 1.01 0.00 0.00 58.87 57.37 2roq n SER 298 Cb 0.27 1.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.48 2roq n SER 298 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2roq s PRO 299 N 0.25 3.21 -0.58 1.43 0.04 -1.26 -5.00 135.00 133.10 2roq s PRO 299 Ca 0.27 1.55 0.05 0.00 0.04 0.00 0.00 61.00 62.92 2roq s PRO 299 Cb 0.21 -1.99 0.34 0.00 0.04 0.00 0.00 34.50 33.11 2roq s PRO 299 CO -0.12 -0.95 0.98 0.91 0.04 0.00 0.00 177.00 177.85 2roq n TRP 300 N -1.59 4.01 -4.40 0.56 5.03 -1.26 -5.03 117.44 114.76 2roq n TRP 300 Ca 0.11 -3.92 -0.22 0.00 3.03 0.00 0.00 57.50 56.50 2roq n TRP 300 Cb 0.51 -0.48 -0.16 0.00 -1.03 0.00 0.00 31.31 30.15 2roq n TRP 300 CO 0.00 0.00 0.00 0.96 -0.03 0.00 0.00 177.69 178.62 2roq s ILE 301 N -4.54 0.84 -0.08 -0.99 -4.36 -1.26 -4.71 121.20 106.10 2roq s ILE 301 Ca 0.49 -0.33 -0.08 0.00 -0.26 0.00 0.00 60.65 60.46 2roq s ILE 301 Cb 0.29 -0.78 -0.04 0.00 1.25 0.00 0.00 42.46 43.17 2roq s ILE 301 CO -0.14 0.28 -0.18 0.00 0.24 0.00 0.00 174.94 175.14 2roq n ALA 302 N 3.71 2.00 -3.66 2.27 0.00 -1.26 -5.06 120.51 118.52 2roq n ALA 302 Ca -0.22 -0.46 -0.05 0.00 0.00 0.00 0.00 53.44 52.70 2roq n ALA 302 Cb 0.52 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 2roq n ALA 302 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2roq s GLU 303 N -2.38 0.46 0.26 0.00 2.02 -1.25 -5.11 118.70 112.70 2roq s GLU 303 Ca -0.16 1.20 -0.19 0.00 0.02 0.00 0.00 54.97 55.84 2roq s GLU 303 Cb 0.04 0.51 0.02 0.00 0.10 0.00 0.00 34.13 34.80 2roq s GLU 303 CO 0.23 -0.22 0.65 -0.48 0.02 0.00 0.00 175.26 175.46 2roq s LEU 304 N 2.57 -0.15 -0.39 1.80 0.05 -1.26 -3.37 118.68 117.93 2roq s LEU 304 Ca -0.05 -0.62 0.04 0.00 0.05 0.00 0.00 54.13 53.55 2roq s LEU 304 Cb -0.11 2.50 0.11 0.00 -2.05 0.00 0.00 46.19 46.63 2roq s LEU 304 CO -0.16 -1.26 0.11 -0.62 -0.55 0.00 0.00 176.35 173.87 2roq s ASP 305 N -2.92 4.64 -0.15 1.48 2.15 -1.22 -5.01 116.67 115.63 2roq s ASP 305 Ca 0.12 -2.40 -0.13 0.00 0.43 0.00 0.00 52.55 50.58 2roq s ASP 305 Cb -0.04 -1.63 -0.05 0.00 -0.30 0.00 0.00 42.92 40.90 2roq s ASP 305 CO 0.05 -0.34 0.26 -0.51 -0.17 0.00 0.00 175.17 174.46 2roq s ILE 306 N 0.57 5.32 -0.03 4.11 -1.16 -1.26 -3.35 121.20 125.41 2roq s ILE 306 Ca 0.13 0.48 0.03 0.00 -0.51 0.00 0.00 60.65 60.78 2roq s ILE 306 Cb -0.21 -3.59 -0.00 0.00 0.61 0.00 0.00 42.46 39.27 2roq s ILE 306 CO -0.06 0.43 -0.12 -0.47 -2.81 0.00 0.00 174.94 171.91 2roq s TYR 307 N 0.23 1.25 -0.30 3.50 6.14 -1.22 -5.05 117.35 121.90 2roq s TYR 307 Ca 0.15 -0.32 -0.26 0.00 0.64 0.00 0.00 57.07 57.28 2roq s TYR 307 Cb -0.13 -0.86 0.01 0.00 0.42 0.00 0.00 41.96 41.40 2roq s TYR 307 CO 0.03 -0.11 0.89 -0.98 0.64 0.00 0.00 175.55 176.02 2roq s ARG 308 N 0.08 4.04 -0.17 4.97 1.70 -1.26 -3.30 118.95 125.01 2roq s ARG 308 Ca -0.02 0.82 -0.05 0.00 -0.47 0.00 0.00 55.73 56.00 2roq s ARG 308 Cb -0.09 -3.71 0.08 0.00 -0.57 0.00 0.00 34.95 30.66 2roq s ARG 308 CO 0.01 -0.72 0.33 -1.14 -1.08 0.00 0.00 175.30 172.70 2roq s GLN 309 N 3.15 0.23 -0.84 3.89 0.74 -1.13 -5.01 119.66 120.71 2roq s GLN 309 Ca 0.37 0.78 -0.25 0.00 0.05 0.00 0.00 55.36 56.31 2roq s GLN 309 Cb -0.14 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 33.89 2roq s GLN 309 CO 0.12 -0.34 1.90 0.16 -0.55 0.00 0.00 175.29 176.57 2roq s ASP 310 N 2.49 5.25 -0.19 6.67 -4.77 -1.26 -2.12 116.67 122.73 2roq s ASP 310 Ca 0.02 -0.47 -0.07 0.00 -3.30 0.00 0.00 52.55 48.74 2roq s ASP 310 Cb -0.13 -2.55 0.09 0.00 -1.09 0.00 0.00 42.92 39.24 2roq s ASP 310 CO -0.11 -2.59 0.41 0.00 0.70 0.00 0.00 175.17 173.58 2roq s ALA 312 N 2.60 2.53 0.59 0.00 0.00 -1.26 -4.53 121.76 121.69 2roq s ALA 312 Ca -0.01 -1.47 0.29 0.00 0.00 0.00 0.00 51.96 50.77 2roq s ALA 312 Cb -0.12 -2.54 1.42 0.00 0.00 0.00 0.00 23.12 21.89 2roq s ALA 312 CO -0.13 -2.37 1.83 0.45 0.00 0.00 0.00 175.76 175.54 2roq h HIS 313 N -1.50 0.00 0.08 0.00 3.86 -1.98 0.35 115.15 115.97 2roq h HIS 313 Ca -0.42 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.47 2roq h HIS 313 Cb 1.22 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.67 2roq h HIS 313 CO -1.21 0.00 -1.79 0.28 0.86 0.00 0.00 177.93 176.07 2roq n VAL 314 N -3.70 1.69 0.37 2.45 0.31 -1.26 -2.46 118.33 115.74 2roq n VAL 314 Ca 0.11 -0.44 0.11 0.00 -0.01 0.00 0.00 64.34 64.11 2roq n VAL 314 Cb 0.80 -1.83 0.48 0.00 -0.91 0.00 0.00 33.84 32.38 2roq n VAL 314 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2roq n ASP 315 N -3.81 0.58 -0.08 4.52 2.03 -0.25 -1.72 116.55 117.83 2roq n ASP 315 Ca -0.33 0.66 -0.06 0.00 0.52 0.00 0.00 54.79 55.58 2roq n ASP 315 Cb 0.92 -0.77 -0.14 0.00 -0.72 0.00 0.00 41.12 40.41 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ILE 316 N -2.16 1.04 1.27 5.18 0.13 0.11 -4.31 119.36 120.62 2roq n ILE 316 Ca 0.02 -0.70 0.11 0.00 -1.10 0.00 0.00 62.75 61.07 2roq n ILE 316 Cb 0.20 -0.44 0.40 0.00 -0.84 0.00 0.00 39.64 38.95 2roq n ILE 316 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2roq n ILE 317 N -2.58 0.17 -1.49 9.51 0.13 -1.03 -4.24 119.36 119.83 2roq n ILE 317 Ca -0.25 -0.33 -0.30 0.00 -1.10 0.00 0.00 62.75 60.76 2roq n ILE 317 Cb 0.99 0.40 0.09 0.00 -0.84 0.00 0.00 39.64 40.28 2roq n ILE 317 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2roq s SER 318 N -1.65 4.50 0.00 9.51 1.04 -0.70 -4.92 113.70 121.49 2roq s SER 318 Ca 0.33 1.41 0.15 0.00 0.48 0.00 0.00 55.95 58.32 2roq s SER 318 Cb 0.18 -2.16 0.76 0.00 0.10 0.00 0.00 66.02 64.90 2roq s SER 318 CO 0.28 -1.98 1.40 -0.81 0.98 0.00 0.00 173.24 173.11 2roq n PRO 319 N -3.45 0.23 -0.07 4.02 -0.04 -1.26 -3.09 135.00 131.34 2roq n PRO 319 Ca 0.07 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 2roq n PRO 319 Cb 0.55 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.03 -0.64 0.05 0.55 0.00 -1.26 -3.97 105.19 99.89 2roq n GLY 320 Ca 0.07 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.52 1.15 -0.77 2.61 1.35 -1.77 -2.05 112.91 112.90 2roq h THR 321 Ca -0.45 -0.44 0.19 0.00 -0.55 0.00 0.00 66.41 65.16 2roq h THR 321 Cb 1.67 1.41 -0.04 0.00 -1.73 0.00 0.00 68.15 69.45 2roq h THR 321 CO -0.13 0.12 0.53 -0.26 -0.25 0.00 0.00 175.52 175.53 2roq h PHE 322 N -0.15 0.26 -0.00 4.73 -1.00 -1.72 0.12 116.94 119.18 2roq h PHE 322 Ca 0.01 0.01 -0.22 0.00 2.81 0.00 0.00 57.97 60.57 2roq h PHE 322 Cb 0.18 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2roq h PHE 322 CO -0.01 0.08 -0.93 0.93 -1.61 0.00 0.00 178.31 176.76 2roq h GLU 323 N 0.21 0.40 -0.01 1.51 5.08 -1.60 -3.18 114.58 116.98 2roq h GLU 323 Ca 0.38 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2roq h GLU 323 Cb 1.18 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2roq h GLU 323 CO -0.08 1.09 -0.25 0.87 -1.00 0.00 0.00 179.01 179.65 2roq h LYS 324 N 0.22 0.01 -1.30 2.33 1.57 -0.08 -2.65 116.57 116.68 2roq h LYS 324 Ca -0.08 -0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.25 2roq h LYS 324 Cb 1.57 -0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.68 2roq h LYS 324 CO 0.16 0.26 0.58 -0.89 -0.57 0.00 0.00 179.45 178.99 2roq n ILE 325 N -4.24 3.06 -0.02 1.86 5.41 -0.80 -4.51 119.36 120.12 2roq n ILE 325 Ca -0.02 -2.08 -0.01 0.00 1.00 0.00 0.00 62.75 61.64 2roq n ILE 325 Cb 0.30 -1.22 -0.00 0.00 -0.71 0.00 0.00 39.64 38.01 2roq n ILE 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2roq n GLY 326 N -0.18 -0.60 0.03 7.39 0.00 -1.00 -3.51 105.19 107.33 2roq n GLY 326 Ca 0.43 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.81 0.05 -0.03 1.61 -0.04 -1.26 -1.39 135.00 131.12 2roq n PRO 327 Ca -0.02 0.30 -0.04 0.00 -0.04 0.00 0.00 63.50 63.70 2roq n PRO 327 Cb 0.07 -1.59 -0.13 0.00 -0.04 0.00 0.00 33.50 31.80 2roq n PRO 327 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2roq n ILE 328 N -1.69 1.18 0.02 0.52 -6.64 -1.26 -3.75 119.36 107.74 2roq n ILE 328 Ca 0.03 -0.75 -0.02 0.00 -1.77 0.00 0.00 62.75 60.25 2roq n ILE 328 Cb 0.18 -0.60 -0.10 0.00 -1.44 0.00 0.00 39.64 37.68 2roq n ILE 328 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2roq n ILE 329 N -2.79 1.26 -0.03 7.28 3.06 -1.02 -3.11 119.36 124.01 2roq n ILE 329 Ca -0.19 -0.71 -0.14 0.00 -2.50 0.00 0.00 62.75 59.21 2roq n ILE 329 Cb 0.96 -0.79 -0.10 0.00 0.54 0.00 0.00 39.64 40.25 2roq n ILE 329 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 2roq h ARG 330 N 0.00 0.16 -0.30 9.51 3.08 -1.41 -1.36 114.38 124.06 2roq h ARG 330 Ca -0.19 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.65 2roq h ARG 330 Cb 1.68 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 2roq h ARG 330 CO 0.05 0.72 -0.17 0.00 -1.07 0.00 0.00 179.97 179.50 2roq h ALA 331 N 0.44 0.43 0.20 0.04 0.00 -1.74 -1.98 119.26 116.65 2roq h ALA 331 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2roq h ALA 331 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2roq h ALA 331 CO 0.03 0.35 -0.10 1.15 0.00 0.00 0.00 179.25 180.67 2roq h THR 332 N 0.40 0.85 0.00 0.00 2.02 -1.63 -1.38 112.91 113.18 2roq h THR 332 Ca 0.06 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2roq h THR 332 Cb 0.71 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2roq h THR 332 CO 0.05 0.06 -0.03 -0.07 0.37 0.00 0.00 175.52 175.90 2roq h LEU 333 N -0.41 0.00 0.00 2.58 3.38 -1.29 -0.21 115.31 119.37 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 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2roq h LEU 333 CO 0.05 0.03 -0.41 -1.13 0.09 0.00 0.00 178.44 177.07 2roq h ASN 334 N 0.00 0.00 0.75 -0.43 -1.24 -0.86 -2.12 115.58 111.68 2roq h ASN 334 Ca -0.00 -0.03 -0.16 0.00 0.71 0.00 0.00 56.30 56.82 2roq h ASN 334 Cb 0.15 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 2roq h ASN 334 CO 0.00 0.01 -1.35 0.08 -1.29 0.00 0.00 177.43 174.88 2roq h ARG 335 N 0.00 0.00 0.00 6.67 -0.00 0.05 -3.35 114.38 117.75 2roq h ARG 335 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2roq h ARG 335 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 2roq h ARG 335 CO 0.00 0.29 -1.49 1.47 -0.00 0.00 0.00 179.97 180.24 2roq n LEU 336 N -2.90 0.41 -0.25 0.08 -0.00 -0.80 -3.84 117.00 109.69 2roq n LEU 336 Ca -0.09 0.09 0.25 0.00 -0.00 0.00 0.00 56.01 56.27 2roq n LEU 336 Cb 0.83 -0.03 0.61 0.00 -0.00 0.00 0.00 43.42 44.82 2roq n LEU 336 CO 0.43 -0.05 1.25 1.05 -0.00 0.00 0.00 177.39 180.06 2roq h GLU 337 N 0.00 0.22 -6.18 1.47 4.11 -1.52 -3.40 114.58 109.29 2roq h GLU 337 Ca 0.00 -0.01 -0.58 0.00 0.07 0.00 0.00 59.36 58.84 2roq h GLU 337 Cb 0.95 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 2roq h GLU 337 CO 0.00 0.15 -0.15 -1.01 0.07 0.00 0.00 179.01 178.06 2roq s HIS 338 N -5.25 3.65 0.26 2.06 3.76 -1.26 -4.98 115.29 113.54 2roq s HIS 338 Ca -0.07 0.99 0.24 0.00 -0.15 0.00 0.00 55.06 56.07 2roq s HIS 338 Cb 0.23 -2.30 1.08 0.00 1.11 0.00 0.00 32.58 32.70 2roq s HIS 338 CO 0.79 0.52 1.91 0.45 -0.85 0.00 0.00 174.74 177.56 2roq h HIS 339 N 3.97 0.00 -0.77 1.40 3.86 -1.93 -3.34 115.15 118.34 2roq h HIS 339 Ca -0.50 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.38 2roq h HIS 339 Cb 1.20 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.43 2roq h HIS 339 CO 0.67 0.22 -0.73 -2.39 0.86 0.00 0.00 177.93 176.55 2roq n HIS 340 N -3.55 -1.71 -3.15 2.45 -0.00 -1.26 -5.06 115.22 102.94 2roq n HIS 340 Ca -0.01 -2.77 0.04 0.00 -0.00 0.00 0.00 57.72 54.98 2roq n HIS 340 Cb 0.36 0.84 -0.00 0.00 -0.00 0.00 0.00 29.99 31.20 2roq n HIS 340 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2roq s HIS 341 N -0.75 -1.56 -0.09 -1.40 5.04 -1.26 -5.01 115.29 110.26 2roq s HIS 341 Ca 0.29 0.79 0.13 0.00 -1.54 0.00 0.00 55.06 54.73 2roq s HIS 341 Cb 0.31 0.27 -0.19 0.00 0.04 0.00 0.00 32.58 33.01 2roq s HIS 341 CO -0.07 -0.93 0.14 -2.39 -2.34 0.00 0.00 174.74 169.15 2roq n HIS 342 N 5.16 0.00 0.00 3.88 1.44 -1.25 -4.40 115.22 120.05 2roq n HIS 342 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 2roq n HIS 342 Cb 0.55 -0.54 0.00 0.00 0.12 0.00 0.00 29.99 30.12 2roq n HIS 342 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11