#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 3.68 -4.57 4.03 7.99 -1.26 -5.02 117.00 121.85 2roq n LEU 2 Ca 0.00 -5.40 -0.28 0.00 -0.01 0.00 0.00 56.01 50.32 2roq n LEU 2 Cb 0.00 -0.70 -0.06 0.00 -0.11 0.00 0.00 43.42 42.56 2roq n LEU 2 CO 0.00 2.00 1.44 -2.16 -1.51 0.00 0.00 177.39 177.16 2roq s PRO 3 N -2.31 2.52 0.30 3.23 0.04 -1.26 -4.93 135.00 132.60 2roq s PRO 3 Ca 0.37 -0.83 0.09 0.00 0.04 0.00 0.00 61.00 60.67 2roq s PRO 3 Cb 0.11 -5.17 -0.04 0.00 0.04 0.00 0.00 34.50 29.44 2roq s PRO 3 CO -0.04 -3.75 0.10 -1.21 0.04 0.00 0.00 177.00 172.14 2roq s GLU 4 N 6.68 2.42 -0.76 4.56 2.02 -1.26 -5.04 118.70 127.31 2roq s GLU 4 Ca 0.69 -1.43 -0.26 0.00 0.02 0.00 0.00 54.97 53.99 2roq s GLU 4 Cb -0.03 -2.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 2roq s GLU 4 CO 0.08 0.24 1.85 -0.48 0.02 0.00 0.00 175.26 176.97 2roq s LEU 5 N -3.78 3.24 0.58 1.80 0.05 -1.26 -4.79 118.68 114.51 2roq s LEU 5 Ca 0.35 -0.21 0.34 0.00 0.05 0.00 0.00 54.13 54.66 2roq s LEU 5 Cb -0.05 -2.55 1.79 0.00 -2.05 0.00 0.00 46.19 43.33 2roq s LEU 5 CO 0.22 -2.47 2.17 0.11 -0.55 0.00 0.00 176.35 175.83 2roq h LYS 6 N 12.95 0.00 -2.79 1.48 1.79 -1.98 -3.48 116.57 124.54 2roq h LYS 6 Ca -0.09 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.45 2roq h LYS 6 Cb 1.08 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.70 2roq h LYS 6 CO 1.23 0.05 -0.80 0.00 -1.08 0.00 0.00 179.45 178.85 2roq n ALA 7 N -2.19 -1.93 -2.42 3.86 0.00 -1.26 -5.01 120.51 111.56 2roq n ALA 7 Ca -0.02 0.46 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 2roq n ALA 7 Cb 0.18 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.71 -3.75 -2.66 0.00 -0.06 -1.26 -5.06 117.38 101.88 2roq n GLN 8 Ca -0.02 2.92 -0.04 0.00 -2.00 0.00 0.00 57.00 57.87 2roq n GLN 8 Cb 0.41 -4.45 0.09 0.00 -4.06 0.00 0.00 30.24 22.23 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2roq n ALA 9 N 1.32 -3.67 0.63 1.69 0.00 -1.26 -5.01 120.51 114.21 2roq n ALA 9 Ca -0.31 -0.22 0.07 0.00 0.00 0.00 0.00 53.44 52.97 2roq n ALA 9 Cb 0.49 -3.40 0.35 0.00 0.00 0.00 0.00 19.45 16.88 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 1.18 0.14 -2.81 0.00 -0.04 -1.26 -4.45 135.00 127.76 2roq n PRO 10 Ca -0.02 0.18 0.03 0.00 -0.04 0.00 0.00 63.50 63.65 2roq n PRO 10 Cb 0.73 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.70 2roq n PRO 10 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2roq s GLY 11 N -2.71 -1.43 0.23 0.55 0.00 -1.26 -3.61 107.32 99.09 2roq s GLY 11 Ca 0.12 1.59 0.10 0.00 0.00 0.00 0.00 44.72 46.53 2roq s GLY 11 CO 0.24 4.34 -0.19 1.09 0.00 0.00 0.00 173.10 178.57 2roq s ARG 12 N 2.19 1.50 0.58 2.90 1.04 -1.26 -4.83 118.95 121.07 2roq s ARG 12 Ca 0.18 -1.62 -0.18 0.00 -1.04 0.00 0.00 55.73 53.07 2roq s ARG 12 Cb 0.03 -1.57 -0.07 0.00 -2.04 0.00 0.00 34.95 31.29 2roq s ARG 12 CO -0.17 0.30 0.64 0.00 -0.04 0.00 0.00 175.30 176.04 2roq n ALA 13 N -0.24 -0.79 -1.01 7.88 0.00 -1.26 -3.94 120.51 121.15 2roq n ALA 13 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 2roq n ALA 13 Cb 0.59 -1.91 0.02 0.00 0.00 0.00 0.00 19.45 18.16 2roq n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roq n PRO 14 N -0.35 -1.22 -4.35 0.00 -0.04 -1.23 -4.96 135.00 122.86 2roq n PRO 14 Ca 0.12 -0.16 -0.18 0.00 -0.04 0.00 0.00 63.50 63.25 2roq n PRO 14 Cb 0.48 -0.15 -0.10 0.00 -0.04 0.00 0.00 33.50 33.68 2roq n PRO 14 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2roq s LYS 15 N -3.23 1.46 0.00 0.54 2.20 -1.26 -5.04 119.74 114.41 2roq s LYS 15 Ca 0.06 -1.79 0.22 0.00 -0.36 0.00 0.00 55.97 54.11 2roq s LYS 15 Cb -0.01 -0.45 0.31 0.00 -1.51 0.00 0.00 37.83 36.17 2roq s LYS 15 CO 0.05 -0.25 1.30 0.00 -0.36 0.00 0.00 175.35 176.10 2roq n ALA 16 N -0.51 2.43 -1.58 3.13 0.00 -1.26 -2.40 120.51 120.32 2roq n ALA 16 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2roq n ALA 16 Cb 0.66 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 1.36 0.79 0.11 0.00 0.00 -1.26 -4.70 105.19 101.50 2roq n GLY 17 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.58 0.04 1.61 7.64 -1.26 -3.48 113.62 118.75 2roq n SER 18 Ca 0.00 -0.47 0.12 0.00 1.01 0.00 0.00 58.87 59.53 2roq n SER 18 Cb 0.00 0.01 0.15 0.00 -1.01 0.00 0.00 64.21 63.36 2roq n SER 18 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2roq n GLU 19 N -1.05 0.24 0.08 1.43 1.02 -1.26 -3.96 120.64 117.14 2roq n GLU 19 Ca 0.11 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.17 2roq n GLU 19 Cb 0.32 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 2roq n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2roq h THR 20 N 0.00 1.43 -0.44 2.62 1.03 -1.51 -2.17 112.91 113.88 2roq h THR 20 Ca 0.00 -2.58 -0.12 0.00 -0.01 0.00 0.00 66.41 63.71 2roq h THR 20 Cb 0.70 2.52 -0.01 0.00 -1.07 0.00 0.00 68.15 70.29 2roq h THR 20 CO 0.00 0.76 -0.19 0.16 -0.01 0.00 0.00 175.52 176.24 2roq h ILE 21 N 0.19 1.27 -0.17 0.00 -0.00 -1.75 -2.27 117.51 114.79 2roq h ILE 21 Ca -0.09 -1.34 -0.12 0.00 -0.00 0.00 0.00 64.86 63.32 2roq h ILE 21 Cb 1.64 1.21 0.00 0.00 -0.00 0.00 0.00 36.82 39.67 2roq h ILE 21 CO 0.17 0.46 -0.36 0.16 -0.00 0.00 0.00 178.15 178.57 2roq h ILE 22 N 0.73 1.35 -0.48 0.16 3.07 -1.69 -2.20 117.51 118.44 2roq h ILE 22 Ca 0.10 -1.61 0.05 0.00 1.55 0.00 0.00 64.86 64.94 2roq h ILE 22 Cb 0.76 1.95 -0.04 0.00 -0.27 0.00 0.00 36.82 39.21 2roq h ILE 22 CO 0.06 0.49 0.23 0.00 -1.05 0.00 0.00 178.15 177.88 2roq h ALA 23 N 0.57 0.61 0.00 0.16 0.00 -1.39 -1.14 119.26 118.06 2roq h ALA 23 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2roq h ALA 23 Cb 0.96 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2roq h ALA 23 CO 0.08 -0.13 -0.27 0.00 0.00 0.00 0.00 179.25 178.92 2roq h ALA 24 N 1.27 1.09 -0.07 0.00 0.00 -1.44 -2.33 119.26 117.78 2roq h ALA 24 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2roq h ALA 24 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2roq h ALA 24 CO -0.17 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.43 2roq h ALA 25 N 1.73 0.09 -0.16 0.00 0.00 -0.57 -0.93 119.26 119.43 2roq h ALA 25 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2roq h ALA 25 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2roq h ALA 25 CO 0.04 -0.23 -0.14 0.74 0.00 0.00 0.00 179.25 179.66 2roq h PHE 26 N -0.16 0.45 0.00 0.00 0.04 -1.36 -2.08 116.94 113.83 2roq h PHE 26 Ca 0.02 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.66 2roq h PHE 26 Cb 0.34 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.39 2roq h PHE 26 CO 0.03 0.74 0.00 0.43 -0.60 0.00 0.00 178.31 178.91 2roq n SER 27 N -4.55 0.61 -0.02 2.17 7.64 -0.88 0.42 113.62 119.00 2roq n SER 27 Ca -0.06 0.70 -0.12 0.00 1.01 0.00 0.00 58.87 60.40 2roq n SER 27 Cb 0.35 -0.81 -0.14 0.00 -1.01 0.00 0.00 64.21 62.60 2roq n SER 27 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2roq n SER 28 N -2.23 1.16 0.02 6.43 2.88 -0.35 -0.51 113.62 121.01 2roq n SER 28 Ca 0.01 0.34 -0.01 0.00 -1.33 0.00 0.00 58.87 57.87 2roq n SER 28 Cb 0.15 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.02 -0.07 0.00 2.46 3.38 -0.74 -3.47 115.31 116.90 2roq h LEU 29 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2roq h LEU 29 Cb 2.03 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.80 2roq h LEU 29 CO 0.08 0.10 -0.09 0.00 0.09 0.00 0.00 178.44 178.61 2roq n LEU 30 N -3.02 0.00 -0.31 1.67 -0.00 -0.84 -4.89 117.00 109.62 2roq n LEU 30 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.95 2roq n LEU 30 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 2roq n LEU 30 CO 0.02 0.00 0.58 1.23 -0.00 0.00 0.00 177.39 179.22 2roq h GLY 31 N 0.00 -0.18 0.00 1.47 0.00 -0.22 -3.44 103.07 100.69 2roq h GLY 31 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.87 2roq h GLY 31 CO 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.37 2roq n ASP 33 N 0.00 0.00 -4.70 0.00 5.68 -1.26 -5.01 116.55 111.26 2roq n ASP 33 Ca 0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.87 2roq n ASP 33 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2roq s VAL 34 N 0.00 4.74 0.00 2.12 1.01 -1.26 -4.87 120.40 122.14 2roq s VAL 34 Ca 0.00 1.99 0.04 0.00 0.00 0.00 0.00 61.98 64.01 2roq s VAL 34 Cb 0.00 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.17 2roq s VAL 34 CO 0.00 0.08 1.01 0.00 0.00 0.00 0.00 175.10 176.19 2roq n GLN 35 N 4.48 0.00 -0.53 2.72 6.02 -1.26 -4.51 117.38 124.29 2roq n GLN 35 Ca 0.08 -1.12 -0.03 0.00 -0.01 0.00 0.00 57.00 55.92 2roq n GLN 35 Cb 0.49 0.40 0.02 0.00 1.02 0.00 0.00 30.24 32.17 2roq n GLN 35 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2roq n ASP 36 N 0.08 0.08 0.00 1.08 2.03 -1.26 -3.48 116.55 115.07 2roq n ASP 36 Ca -0.22 -1.08 0.00 0.00 0.52 0.00 0.00 54.79 54.01 2roq n ASP 36 Cb 0.76 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ALA 37 N -3.03 1.85 -2.34 -1.67 0.00 -1.25 -4.49 120.51 109.58 2roq n ALA 37 Ca -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 2roq n ALA 37 Cb 0.06 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.48 2.33 -4.75 0.00 2.03 -1.24 -2.77 116.55 111.67 2roq n ASP 38 Ca 0.00 -2.78 -0.37 0.00 0.52 0.00 0.00 54.79 52.16 2roq n ASP 38 Cb 0.02 -0.41 0.04 0.00 -0.72 0.00 0.00 41.12 40.04 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 -2.80 2.69 -0.22 -1.67 0.00 -1.26 -4.90 121.76 113.60 2roq s ALA 39 Ca 0.37 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.48 2roq s ALA 39 Cb 0.37 -3.50 0.06 0.00 0.00 0.00 0.00 23.12 20.04 2roq s ALA 39 CO -0.05 -1.24 -0.03 0.34 0.00 0.00 0.00 175.76 174.78 2roq s ASP 40 N -1.28 3.63 0.16 0.00 -1.08 -1.26 -2.32 116.67 114.53 2roq s ASP 40 Ca 0.74 -1.09 -0.21 0.00 -0.52 0.00 0.00 52.55 51.47 2roq s ASP 40 Cb -0.35 -1.04 0.07 0.00 -1.46 0.00 0.00 42.92 40.14 2roq s ASP 40 CO 0.40 -0.25 1.30 0.33 0.52 0.00 0.00 175.17 177.47 2roq n PHE 41 N 4.76 -0.18 -0.06 -5.34 -0.00 -1.26 0.20 117.46 115.59 2roq n PHE 41 Ca -0.11 1.05 -0.09 0.00 -0.00 0.00 0.00 57.45 58.29 2roq n PHE 41 Cb 0.45 -0.69 -0.03 0.00 -0.00 0.00 0.00 39.48 39.21 2roq n PHE 41 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 2roq h PHE 42 N 0.00 -0.88 0.00 -5.13 0.04 -1.88 0.72 116.94 109.81 2roq h PHE 42 Ca 0.21 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 2roq h PHE 42 Cb 0.42 0.43 -0.00 0.00 2.20 0.00 0.00 35.95 39.00 2roq h PHE 42 CO -0.80 -0.39 -0.04 0.00 -0.60 0.00 0.00 178.31 176.48 2roq h ALA 43 N 0.59 1.23 0.03 2.45 0.00 -0.77 -1.82 119.26 120.97 2roq h ALA 43 Ca 0.13 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.75 2roq h ALA 43 Cb 0.54 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2roq h ALA 43 CO -0.44 0.04 -1.38 -0.07 0.00 0.00 0.00 179.25 177.40 2roq h LEU 44 N 0.00 0.10 0.00 0.00 3.38 0.32 -3.49 115.31 115.63 2roq h LEU 44 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2roq h LEU 44 Cb 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2roq h LEU 44 CO 0.00 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.26 2roq n GLY 45 N 1.50 1.16 3.83 0.83 0.00 0.22 -4.82 105.19 107.91 2roq n GLY 45 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 1.63 0.00 -0.02 0.00 -0.37 -4.99 107.32 101.57 2roq s GLY 46 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 2roq s GLY 46 CO 0.00 0.18 0.00 1.57 0.00 0.00 0.00 173.10 174.85 2roq n HIS 47 N -3.27 0.00 -1.08 1.90 -0.00 -1.26 -4.84 115.22 106.67 2roq n HIS 47 Ca 0.07 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.95 2roq n HIS 47 Cb 0.56 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.39 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 0.00 6.46 0.00 1.57 0.00 -1.26 -2.51 120.51 124.77 2roq n ALA 48 Ca 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.63 2roq n ALA 48 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.33 2roq n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 49 N 3.64 0.00 -0.08 0.00 4.77 -1.26 -4.90 117.00 119.17 2roq n LEU 49 Ca 0.63 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.50 2roq n LEU 49 Cb 0.27 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 2roq n LEU 49 CO 0.72 0.00 -1.02 0.00 -1.33 0.00 0.00 177.39 175.76 2roq n LEU 50 N -1.48 2.75 -0.36 2.23 -0.00 -1.19 -4.23 117.00 114.72 2roq n LEU 50 Ca 0.00 -0.08 0.29 0.00 -0.00 0.00 0.00 56.01 56.22 2roq n LEU 50 Cb 0.00 -0.50 0.60 0.00 -0.00 0.00 0.00 43.42 43.52 2roq n LEU 50 CO 0.00 0.74 1.25 0.00 -0.00 0.00 0.00 177.39 179.38 2roq h ALA 51 N 0.05 2.56 0.12 1.47 0.00 -1.87 0.78 119.26 122.37 2roq h ALA 51 Ca -0.36 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.40 2roq h ALA 51 Cb 1.58 0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.47 2roq h ALA 51 CO -0.05 -1.01 -0.85 1.98 0.00 0.00 0.00 179.25 179.32 2roq h MET 52 N 0.24 0.36 0.00 0.00 1.85 -1.79 -2.27 114.93 113.31 2roq h MET 52 Ca 0.65 -0.55 -0.04 0.00 -0.61 0.00 0.00 59.70 59.15 2roq h MET 52 Cb 1.95 0.20 -0.01 0.00 0.43 0.00 0.00 31.60 34.17 2roq h MET 52 CO -0.26 1.24 -0.17 -0.22 -0.40 0.00 0.00 176.91 177.10 2roq h LYS 53 N -0.24 0.00 0.05 0.39 3.64 -0.95 -2.24 116.57 117.23 2roq h LYS 53 Ca -0.14 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.12 2roq h LYS 53 Cb 1.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 2roq h LYS 53 CO 0.16 0.17 -0.57 1.25 -2.27 0.00 0.00 179.45 178.19 2roq h LEU 54 N 0.00 0.18 -0.93 5.20 6.46 0.37 -2.14 115.31 124.46 2roq h LEU 54 Ca -0.00 -0.90 0.03 0.00 -0.12 0.00 0.00 57.88 56.88 2roq h LEU 54 Cb 0.55 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 2roq h LEU 54 CO 0.02 1.25 0.61 0.00 -0.62 0.00 0.00 178.44 179.70 2roq h ALA 55 N -0.05 1.21 -0.01 1.25 0.00 -1.35 -0.57 119.26 119.75 2roq h ALA 55 Ca -0.12 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 2roq h ALA 55 Cb 1.32 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2roq h ALA 55 CO 0.02 0.50 -0.94 0.00 0.00 0.00 0.00 179.25 178.83 2roq h ALA 56 N 1.37 0.34 -0.21 0.00 0.00 -1.54 -2.24 119.26 116.98 2roq h ALA 56 Ca 0.36 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2roq h ALA 56 Cb -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2roq h ALA 56 CO -0.11 0.79 0.10 0.37 0.00 0.00 0.00 179.25 180.40 2roq h GLN 57 N 0.26 0.31 -0.16 0.00 4.15 -0.91 -2.27 115.11 116.49 2roq h GLN 57 Ca -0.08 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 2roq h GLN 57 Cb 1.58 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.21 2roq h GLN 57 CO 0.17 0.33 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.26 2roq h LEU 58 N 0.21 0.33 -2.01 -2.39 3.38 -1.19 0.55 115.31 114.20 2roq h LEU 58 Ca 0.07 -0.40 0.15 0.00 0.09 0.00 0.00 57.88 57.80 2roq h LEU 58 Cb 0.12 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2roq h LEU 58 CO -0.01 0.65 0.43 -1.28 0.09 0.00 0.00 178.44 178.33 2roq h SER 59 N 0.01 0.00 0.12 -0.43 0.87 -1.34 0.43 113.55 113.20 2roq h SER 59 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2roq h SER 59 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2roq h SER 59 CO 0.02 0.00 -1.33 0.54 -0.53 0.00 0.00 176.83 175.54 2roq n ARG 60 N -4.07 0.29 0.00 2.24 5.12 -0.86 -2.73 116.66 116.65 2roq n ARG 60 Ca 0.10 -0.07 0.11 0.00 -1.93 0.00 0.00 57.85 56.06 2roq n ARG 60 Cb 0.65 -1.53 0.10 0.00 -1.16 0.00 0.00 32.46 30.52 2roq n ARG 60 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2roq n GLN 61 N -1.87 0.15 0.00 5.56 1.13 0.11 -4.10 117.38 118.36 2roq n GLN 61 Ca 0.01 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2roq n GLN 61 Cb 0.44 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.29 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 -1.34 0.00 -1.14 5.09 0.24 0.92 -4.97 118.33 117.13 2roq n VAL 62 Ca 0.06 -0.46 -0.05 0.00 -2.04 0.00 0.00 64.34 61.84 2roq n VAL 62 Cb 0.34 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.37 -0.07 -3.16 2.33 0.00 -1.16 -4.96 120.51 113.11 2roq n ALA 63 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.52 2roq n ALA 63 Cb 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.88 1.15 -3.88 0.00 3.00 -1.10 -5.02 116.66 109.93 2roq n ARG 64 Ca -0.05 -0.05 -0.33 0.00 -0.00 0.00 0.00 57.85 57.42 2roq n ARG 64 Cb 0.41 -0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.74 2roq n ARG 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2roq s GLN 65 N -2.04 2.02 -0.24 -0.14 0.74 -1.26 -4.59 119.66 114.15 2roq s GLN 65 Ca 0.01 -2.30 -0.11 0.00 0.05 0.00 0.00 55.36 53.01 2roq s GLN 65 Cb -0.00 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.61 2roq s GLN 65 CO 0.01 -1.08 0.21 0.08 -0.55 0.00 0.00 175.29 173.95 2roq s VAL 66 N 0.28 5.32 0.27 1.34 1.01 -1.26 -4.81 120.40 122.56 2roq s VAL 66 Ca 0.14 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.48 2roq s VAL 66 Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2roq s VAL 66 CO -0.03 0.31 0.07 0.42 0.00 0.00 0.00 175.10 175.87 2roq s THR 67 N 1.21 3.67 -0.76 3.92 -4.23 -1.26 -4.73 115.64 113.45 2roq s THR 67 Ca 0.09 -1.75 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 2roq s THR 67 Cb -0.14 -3.01 -0.09 0.00 1.34 0.00 0.00 72.50 70.60 2roq s THR 67 CO 0.06 -0.35 1.94 -0.81 -0.54 0.00 0.00 174.62 174.92 2roq n PRO 68 N -1.00 1.65 0.00 3.99 -0.04 -1.26 -3.43 135.00 134.91 2roq n PRO 68 Ca -0.06 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 2roq n PRO 68 Cb 0.59 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 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 4.08 0.08 0.11 0.55 0.00 -1.26 -4.67 105.19 104.07 2roq n GLY 69 Ca 0.43 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.50 2roq n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2roq n GLN 70 N -1.45 0.61 0.03 1.61 3.00 -1.22 -4.13 117.38 115.83 2roq n GLN 70 Ca 0.00 0.14 -0.22 0.00 -0.01 0.00 0.00 57.00 56.91 2roq n GLN 70 Cb 0.00 -1.82 -0.14 0.00 0.00 0.00 0.00 30.24 28.27 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2roq h VAL 71 N 0.00 0.77 -0.45 5.09 2.07 -1.74 0.27 116.25 122.26 2roq h VAL 71 Ca -0.03 -2.40 0.13 0.00 0.82 0.00 0.00 66.70 65.21 2roq h VAL 71 Cb 1.12 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 2roq h VAL 71 CO 0.01 0.86 0.42 0.24 0.02 0.00 0.00 177.57 179.12 2roq h MET 72 N 0.03 0.00 0.00 1.57 2.86 -1.86 -3.11 114.93 114.43 2roq h MET 72 Ca -0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2roq h MET 72 Cb 2.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.68 2roq h MET 72 CO 0.11 0.00 -0.20 1.33 1.06 0.00 0.00 176.91 179.22 2roq n VAL 73 N -3.89 0.98 -2.26 -2.22 0.24 -1.25 -4.84 118.33 105.08 2roq n VAL 73 Ca 0.08 0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 62.28 2roq n VAL 73 Cb 0.61 -1.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 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 -3.40 5.66 -0.22 2.33 0.00 0.95 -4.67 120.51 121.16 2roq n ALA 74 Ca 0.00 -4.27 0.05 0.00 0.00 0.00 0.00 53.44 49.23 2roq n ALA 74 Cb 0.10 -2.95 0.28 0.00 0.00 0.00 0.00 19.45 16.88 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 3.46 4.09 -4.72 0.00 2.88 -1.17 -3.96 113.62 114.20 2roq n SER 75 Ca 0.44 -2.55 -0.42 0.00 -1.33 0.00 0.00 58.87 55.02 2roq n SER 75 Cb 0.34 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 63.18 2roq n SER 75 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2roq s THR 76 N -2.09 4.37 0.31 2.46 -4.23 -0.98 -4.54 115.64 110.94 2roq s THR 76 Ca 0.38 1.77 0.03 0.00 -1.18 0.00 0.00 61.69 62.69 2roq s THR 76 Cb 0.27 -4.14 0.40 0.00 1.34 0.00 0.00 72.50 70.38 2roq s THR 76 CO 0.13 0.18 1.58 0.58 -0.54 0.00 0.00 174.62 176.55 2roq h VAL 77 N 4.46 0.05 -0.21 2.29 2.07 -1.79 0.73 116.25 123.85 2roq h VAL 77 Ca -0.42 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2roq h VAL 77 Cb 1.22 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2roq h VAL 77 CO 0.77 0.00 0.03 0.00 0.02 0.00 0.00 177.57 178.39 2roq h ALA 78 N 1.96 0.27 0.46 1.67 0.00 -1.78 -1.77 119.26 120.08 2roq h ALA 78 Ca 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2roq h ALA 78 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2roq h ALA 78 CO -0.89 -0.05 -0.22 0.87 0.00 0.00 0.00 179.25 178.96 2roq h LYS 79 N 0.14 -0.59 -0.38 0.00 1.79 -0.39 -1.36 116.57 115.77 2roq h LYS 79 Ca 0.06 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.65 2roq h LYS 79 Cb 0.32 0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.02 2roq h LYS 79 CO 0.00 -0.31 -0.24 1.25 -1.08 0.00 0.00 179.45 179.07 2roq h LEU 80 N -0.81 -0.80 -1.92 2.94 7.12 0.16 0.53 115.31 122.53 2roq h LEU 80 Ca -0.06 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.11 2roq h LEU 80 Cb 0.56 0.41 0.00 0.00 -0.53 0.00 0.00 40.66 41.09 2roq h LEU 80 CO 0.10 -0.26 0.00 0.00 -0.13 0.00 0.00 178.44 178.15 2roq h ALA 81 N 1.00 1.00 0.00 1.25 0.00 -1.31 0.19 119.26 121.39 2roq h ALA 81 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2roq h ALA 81 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2roq h ALA 81 CO -0.49 0.00 -0.90 1.15 0.00 0.00 0.00 179.25 179.01 2roq h THR 82 N 0.00 0.12 0.00 0.00 2.02 0.11 -2.45 112.91 112.71 2roq h THR 82 Ca 0.00 -1.22 -0.34 0.00 0.77 0.00 0.00 66.41 65.62 2roq h THR 82 Cb 0.20 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 2roq h THR 82 CO 0.00 0.07 -2.25 2.30 0.37 0.00 0.00 175.52 176.01 2roq n ILE 83 N -2.80 1.36 0.01 3.11 -5.35 0.32 -3.27 119.36 112.74 2roq n ILE 83 Ca -0.01 -0.83 -0.10 0.00 -0.27 0.00 0.00 62.75 61.54 2roq n ILE 83 Cb 0.60 -0.53 -0.14 0.00 -1.74 0.00 0.00 39.64 37.83 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 1.04 0.00 7.28 3.07 -0.82 -3.31 117.51 124.77 2roq h ILE 84 Ca -0.48 -2.83 -0.01 0.00 1.55 0.00 0.00 64.86 63.08 2roq h ILE 84 Cb 2.15 2.55 -0.00 0.00 -0.27 0.00 0.00 36.82 41.25 2roq h ILE 84 CO 0.04 0.65 -0.72 -0.78 -1.05 0.00 0.00 178.15 176.29 2roq h ASP 85 N 0.01 0.00 0.00 2.16 3.58 -1.63 -3.40 116.42 117.14 2roq h ASP 85 Ca -0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2roq h ASP 85 Cb 1.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.02 2roq h ASP 85 CO 0.10 0.06 0.00 0.00 -2.88 0.00 0.00 179.24 176.52 2roq n ALA 86 N -2.17 -0.09 -3.41 -0.78 0.00 -1.20 -5.04 120.51 107.81 2roq n ALA 86 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 2roq n ALA 86 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2roq n ALA 86 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2roq n GLU 87 N -1.08 0.46 0.06 0.00 0.28 -1.25 -5.05 120.64 114.07 2roq n GLU 87 Ca 0.00 -1.14 -0.00 0.00 -0.16 0.00 0.00 57.16 55.86 2roq n GLU 87 Cb 0.00 1.29 -0.06 0.00 1.43 0.00 0.00 31.44 34.11 2roq n GLU 87 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 2roq h GLU 88 N 0.00 0.00 -6.33 3.44 4.11 -1.89 -3.42 114.58 110.49 2roq h GLU 88 Ca -0.15 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.73 2roq h GLU 88 Cb 0.57 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2roq h GLU 88 CO 0.19 0.42 0.65 0.34 0.07 0.00 0.00 179.01 180.68 2roq s ASP 89 N -6.07 7.09 -0.23 3.06 2.15 -1.26 -4.58 116.67 116.83 2roq s ASP 89 Ca -0.01 1.80 -0.18 0.00 0.43 0.00 0.00 52.55 54.59 2roq s ASP 89 Cb 0.08 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 40.21 2roq s ASP 89 CO 0.79 -0.54 0.60 -0.55 -0.17 0.00 0.00 175.17 175.30 2roq s SER 90 N 1.37 -0.69 -0.31 -0.34 0.15 -1.26 -5.10 113.70 107.52 2roq s SER 90 Ca 0.55 1.25 -0.00 0.00 0.70 0.00 0.00 55.95 58.45 2roq s SER 90 Cb -0.24 1.21 0.19 0.00 -1.71 0.00 0.00 66.02 65.47 2roq s SER 90 CO 0.23 -0.22 0.77 -0.89 1.20 0.00 0.00 173.24 174.33 2roq s THR 91 N 0.78 -0.71 -0.24 6.45 2.01 -1.26 -4.99 115.64 117.68 2roq s THR 91 Ca -0.04 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 2roq s THR 91 Cb -0.05 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2roq s THR 91 CO -0.06 0.00 -0.03 -0.13 -0.69 0.00 0.00 174.62 173.71 2roq s ARG 92 N 2.63 3.18 -1.09 4.92 1.81 -1.26 -5.02 118.95 124.13 2roq s ARG 92 Ca 0.17 -0.76 -0.16 0.00 -1.72 0.00 0.00 55.73 53.26 2roq s ARG 92 Cb -0.05 -3.05 -0.07 0.00 -0.45 0.00 0.00 34.95 31.32 2roq s ARG 92 CO -0.21 -0.29 2.14 2.89 -0.68 0.00 0.00 175.30 179.15 2roq n ARG 93 N 4.77 2.21 0.00 3.54 0.00 -1.26 -4.21 116.66 121.71 2roq n ARG 93 Ca -0.17 -2.06 0.00 0.00 -0.00 0.00 0.00 57.85 55.61 2roq n ARG 93 Cb 0.49 -2.96 0.00 0.00 -0.00 0.00 0.00 32.46 29.99 2roq n ARG 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2roq n MET 94 N 6.02 0.00 0.14 2.89 2.81 -1.26 -4.79 117.12 122.94 2roq n MET 94 Ca 0.52 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.43 2roq n MET 94 Cb 0.35 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.93 2roq n MET 94 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2roq h GLY 95 N 0.00 0.00 -3.12 3.03 0.00 -1.73 -3.17 103.07 98.08 2roq h GLY 95 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2roq h GLY 95 CO 0.00 0.00 0.12 0.33 0.00 0.00 0.00 176.54 176.99 2roq n PHE 96 N -3.30 1.80 -4.50 5.60 7.35 -1.26 -4.92 117.46 118.24 2roq n PHE 96 Ca 0.01 -0.79 -0.25 0.00 -0.76 0.00 0.00 57.45 55.67 2roq n PHE 96 Cb 0.71 -0.51 -0.10 0.00 0.35 0.00 0.00 39.48 39.93 2roq n PHE 96 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2roq s GLU 97 N -2.42 1.73 0.57 -4.13 -6.30 -1.20 -5.00 118.70 101.96 2roq s GLU 97 Ca 0.43 -1.86 0.28 0.00 -2.50 0.00 0.00 54.97 51.33 2roq s GLU 97 Cb 0.34 -1.65 1.48 0.00 0.00 0.00 0.00 34.13 34.30 2roq s GLU 97 CO 0.11 0.19 1.95 1.79 0.02 0.00 0.00 175.26 179.33 2roq h THR 98 N 2.15 0.50 -3.88 -1.70 1.35 -1.87 -3.41 112.91 106.05 2roq h THR 98 Ca -0.41 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 64.81 2roq h THR 98 Cb 1.25 0.67 -0.22 0.00 -1.73 0.00 0.00 68.15 68.12 2roq h THR 98 CO 0.66 0.00 -0.85 -0.63 -0.25 0.00 0.00 175.52 174.45 2roq s ILE 99 N -4.77 2.06 -0.32 6.82 -1.09 -1.26 -0.13 121.20 122.51 2roq s ILE 99 Ca -0.05 -1.70 0.01 0.00 -2.23 0.00 0.00 60.65 56.68 2roq s ILE 99 Cb 0.17 -1.85 0.10 0.00 -1.58 0.00 0.00 42.46 39.30 2roq s ILE 99 CO 0.63 0.02 0.08 -0.22 -1.23 0.00 0.00 174.94 174.22 2roq s LEU 100 N -2.04 3.00 -0.55 2.97 0.20 -1.25 -4.56 118.68 116.43 2roq s LEU 100 Ca 0.12 -1.78 -0.27 0.00 0.69 0.00 0.00 54.13 52.89 2roq s LEU 100 Cb -0.10 -1.10 -0.02 0.00 -0.43 0.00 0.00 46.19 44.54 2roq s LEU 100 CO 0.06 -0.40 1.83 -2.16 -0.29 0.00 0.00 176.35 175.38 2roq s PRO 101 N 1.40 2.79 -0.11 0.98 0.04 -1.26 -4.22 135.00 134.62 2roq s PRO 101 Ca 0.10 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 61.73 2roq s PRO 101 Cb -0.18 -4.34 -0.15 0.00 0.04 0.00 0.00 34.50 29.88 2roq s PRO 101 CO -0.19 -2.53 0.51 -0.07 0.04 0.00 0.00 177.00 174.76 2roq h LEU 102 N 15.76 -0.03 -7.09 -3.56 3.38 -1.98 -3.46 115.31 118.32 2roq h LEU 102 Ca -0.27 -0.52 -0.33 0.00 0.09 0.00 0.00 57.88 56.84 2roq h LEU 102 Cb 1.16 0.01 -0.37 0.00 0.09 0.00 0.00 40.66 41.55 2roq h LEU 102 CO 1.18 0.71 -0.65 -0.60 0.09 0.00 0.00 178.44 179.16 2roq s ARG 103 N -2.20 0.08 -0.25 1.13 3.00 -1.21 -5.00 118.95 114.52 2roq s ARG 103 Ca -0.11 0.35 -0.04 0.00 -1.00 0.00 0.00 55.73 54.93 2roq s ARG 103 Cb -0.01 -0.80 0.09 0.00 0.00 0.00 0.00 34.95 34.23 2roq s ARG 103 CO 0.40 -0.47 0.13 -1.83 0.00 0.00 0.00 175.30 173.54 2roq s GLU 104 N 2.27 0.16 0.00 5.12 -1.05 -1.26 -0.04 118.70 123.90 2roq s GLU 104 Ca 0.04 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 2roq s GLU 104 Cb -0.14 -1.35 0.00 0.00 -0.44 0.00 0.00 34.13 32.21 2roq s GLU 104 CO -0.08 -0.88 0.00 0.41 0.95 0.00 0.00 175.26 175.66 2roq n GLY 105 N 5.27 0.02 0.16 -3.83 0.00 -1.26 -5.02 105.19 100.53 2roq n GLY 105 Ca -0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 2roq n GLY 105 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2roq h ASN 106 N 0.00 -0.38 0.00 1.61 4.21 -1.86 -3.49 115.58 115.66 2roq h ASN 106 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2roq h ASN 106 Cb 0.00 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 2roq h ASN 106 CO 0.00 -0.24 0.00 0.61 -1.29 0.00 0.00 177.43 176.51 2roq n GLY 107 N -1.20 -1.86 3.71 2.83 0.00 -1.26 -5.00 105.19 102.41 2roq n GLY 107 Ca -0.05 0.62 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 4.31 -0.22 1.61 0.04 -1.26 -4.78 135.00 134.70 2roq s PRO 108 Ca 0.00 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 2roq s PRO 108 Cb 0.00 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 2roq s PRO 108 CO 0.00 -0.48 -0.03 0.95 0.04 0.00 0.00 177.00 177.48 2roq s THR 109 N 1.60 3.54 0.46 1.26 -4.23 -1.25 -0.31 115.64 116.71 2roq s THR 109 Ca 0.64 -0.44 -0.22 0.00 -1.18 0.00 0.00 61.69 60.49 2roq s THR 109 Cb -0.35 -2.61 -0.08 0.00 1.34 0.00 0.00 72.50 70.80 2roq s THR 109 CO 0.29 0.42 1.09 -0.22 -0.54 0.00 0.00 174.62 175.66 2roq s LEU 110 N 1.38 3.98 -0.39 4.79 0.20 -0.48 -4.76 118.68 123.41 2roq s LEU 110 Ca 0.05 2.11 -0.06 0.00 0.69 0.00 0.00 54.13 56.92 2roq s LEU 110 Cb -0.14 -4.34 0.08 0.00 -0.43 0.00 0.00 46.19 41.36 2roq s LEU 110 CO -0.01 -0.79 0.19 -0.36 -0.29 0.00 0.00 176.35 175.09 2roq s PHE 111 N -1.71 3.42 -0.31 5.38 0.08 -1.24 -0.43 117.98 123.17 2roq s PHE 111 Ca 0.64 -1.92 -0.16 0.00 0.12 0.00 0.00 56.93 55.61 2roq s PHE 111 Cb -0.23 -2.90 -0.02 0.00 -0.57 0.00 0.00 43.02 39.30 2roq s PHE 111 CO 0.28 -0.89 0.43 0.00 -0.10 0.00 0.00 175.22 174.95 2roq s PHE 113 N 2.19 2.16 -0.60 0.00 0.08 -1.12 -3.37 117.98 117.33 2roq s PHE 113 Ca 0.16 1.35 0.06 0.00 0.12 0.00 0.00 56.93 58.61 2roq s PHE 113 Cb -0.16 -3.16 0.30 0.00 -0.57 0.00 0.00 43.02 39.43 2roq s PHE 113 CO 0.11 -2.54 0.87 1.58 -0.10 0.00 0.00 175.22 175.14 2roq n HIS 114 N -4.00 3.83 0.00 0.36 -0.00 -1.26 -4.84 115.22 109.32 2roq n HIS 114 Ca 0.07 -4.06 0.00 0.00 0.46 0.00 0.00 57.72 54.20 2roq n HIS 114 Cb 0.54 -0.52 0.00 0.00 -0.12 0.00 0.00 29.99 29.90 2roq n HIS 114 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2roq n PRO 115 N 0.19 0.00 -0.04 1.57 -0.04 -1.26 -4.35 135.00 131.07 2roq n PRO 115 Ca 0.30 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 2roq n PRO 115 Cb 0.40 -0.39 0.48 0.00 -0.04 0.00 0.00 33.50 33.95 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 -2.33 2.56 -2.65 0.55 0.00 -1.26 -4.82 120.51 112.56 2roq n ALA 116 Ca 0.00 -0.40 -0.40 0.00 0.00 0.00 0.00 53.44 52.65 2roq n ALA 116 Cb 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 2roq n ALA 116 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2roq s SER 117 N -1.67 6.55 -0.14 0.00 0.01 -1.26 -4.93 113.70 112.26 2roq s SER 117 Ca 0.33 0.67 0.16 0.00 1.31 0.00 0.00 55.95 58.42 2roq s SER 117 Cb 0.17 -2.30 -0.23 0.00 0.21 0.00 0.00 66.02 63.87 2roq s SER 117 CO 0.27 -0.24 0.13 0.61 0.41 0.00 0.00 173.24 174.42 2roq n GLY 118 N 4.02 -0.84 1.62 3.44 0.00 -1.26 -4.85 105.19 107.32 2roq n GLY 118 Ca -0.04 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.53 -1.08 -1.51 1.61 3.01 -1.26 -4.67 117.46 111.04 2roq n PHE 119 Ca -0.23 -0.99 -0.42 0.00 1.01 0.00 0.00 57.45 56.82 2roq n PHE 119 Cb 0.94 -0.19 -0.08 0.00 -0.01 0.00 0.00 39.48 40.14 2roq n PHE 119 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2roq n ALA 120 N -2.51 0.76 -0.74 4.37 0.00 -1.26 -4.68 120.51 116.46 2roq n ALA 120 Ca -0.07 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.60 2roq n ALA 120 Cb 0.27 -2.75 -0.07 0.00 0.00 0.00 0.00 19.45 16.90 2roq n ALA 120 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 2roq n TRP 121 N 12.51 0.52 -1.03 0.00 2.14 -1.26 -4.72 117.44 125.61 2roq n TRP 121 Ca 0.46 0.35 -0.17 0.00 2.07 0.00 0.00 57.50 60.21 2roq n TRP 121 Cb 0.31 -1.28 -0.03 0.00 -0.81 0.00 0.00 31.31 29.50 2roq n TRP 121 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2roq n GLN 122 N 4.33 1.90 -0.63 -2.67 10.64 -1.26 -4.24 117.38 125.44 2roq n GLN 122 Ca 0.32 -1.50 0.08 0.00 -1.83 0.00 0.00 57.00 54.08 2roq n GLN 122 Cb -0.01 -1.74 0.33 0.00 -0.86 0.00 0.00 30.24 27.96 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 0.97 1.44 -0.32 2.61 -1.74 -1.26 -4.61 117.46 114.56 2roq n PHE 123 Ca 0.33 -0.75 0.35 0.00 -0.56 0.00 0.00 57.45 56.82 2roq n PHE 123 Cb 0.61 -0.36 0.73 0.00 1.52 0.00 0.00 39.48 41.98 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 3.03 0.00 -0.77 5.98 4.64 -1.94 0.51 113.55 125.00 2roq h SER 124 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 2roq h SER 124 Cb 1.61 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.65 2roq h SER 124 CO 0.32 0.00 0.51 1.62 -0.87 0.00 0.00 176.83 178.40 2roq h VAL 125 N 0.00 0.96 0.14 0.95 3.04 -1.96 0.05 116.25 119.43 2roq h VAL 125 Ca 0.57 -0.25 -0.21 0.00 -1.01 0.00 0.00 66.70 65.80 2roq h VAL 125 Cb 2.41 0.18 0.02 0.00 -2.01 0.00 0.00 31.29 31.88 2roq h VAL 125 CO -0.01 0.13 -0.94 0.25 -1.01 0.00 0.00 177.57 175.99 2roq h LEU 126 N 0.72 0.47 -2.61 3.16 5.85 -0.35 -1.95 115.31 120.61 2roq h LEU 126 Ca 0.35 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 58.14 2roq h LEU 126 Cb 0.42 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2roq h LEU 126 CO -0.13 1.44 0.00 -1.28 -0.34 0.00 0.00 178.44 178.13 2roq h SER 127 N -0.34 0.00 0.00 1.25 0.87 -1.25 0.50 113.55 114.58 2roq h SER 127 Ca -0.17 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.29 2roq h SER 127 Cb 1.69 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.63 2roq h SER 127 CO 0.14 0.00 -2.09 -1.14 -0.53 0.00 0.00 176.83 173.21 2roq n ARG 128 N -3.01 0.67 0.04 2.24 0.63 -0.03 -2.01 116.66 115.19 2roq n ARG 128 Ca -0.02 -0.15 0.11 0.00 -0.92 0.00 0.00 57.85 56.87 2roq n ARG 128 Cb 0.11 -1.52 0.02 0.00 0.45 0.00 0.00 32.46 31.52 2roq n ARG 128 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2roq n TYR 129 N -2.38 0.42 -0.01 -0.14 4.02 -0.52 -3.97 117.16 114.58 2roq n TYR 129 Ca -0.11 0.12 -0.01 0.00 -0.01 0.00 0.00 57.90 57.89 2roq n TYR 129 Cb 0.72 -0.58 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 2roq n TYR 129 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 2roq n LEU 130 N -2.15 0.00 -3.47 7.72 -0.00 0.16 -4.76 117.00 114.51 2roq n LEU 130 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.76 2roq n LEU 130 Cb 0.47 0.06 -0.09 0.00 -0.00 0.00 0.00 43.42 43.86 2roq n LEU 130 CO 0.40 0.06 -0.08 0.47 -0.00 0.00 0.00 177.39 178.24 2roq n ASP 131 N -2.02 2.30 0.12 1.45 8.00 -0.85 -4.91 116.55 120.64 2roq n ASP 131 Ca -0.04 -3.10 0.12 0.00 0.71 0.00 0.00 54.79 52.48 2roq n ASP 131 Cb 0.51 -0.67 0.48 0.00 -0.02 0.00 0.00 41.12 41.42 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 1.44 0.18 0.00 -0.24 -0.04 -1.26 -4.16 135.00 130.92 2roq n PRO 132 Ca 0.26 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 2roq n PRO 132 Cb 0.43 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.20 0.00 -0.61 0.54 3.00 -1.26 -5.08 117.38 111.77 2roq n GLN 133 Ca 0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.72 2roq n GLN 133 Cb 0.22 -0.52 0.18 0.00 0.00 0.00 0.00 30.24 30.12 2roq n GLN 133 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 2roq n TRP 134 N -1.54 -1.76 -3.76 1.08 5.03 -1.26 -4.13 117.44 111.10 2roq n TRP 134 Ca 0.00 0.04 -0.24 0.00 3.03 0.00 0.00 57.50 60.33 2roq n TRP 134 Cb 0.02 -1.51 -0.02 0.00 -1.03 0.00 0.00 31.31 28.77 2roq n TRP 134 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 2roq s SER 135 N -1.96 6.34 -0.10 -0.99 0.01 0.58 -4.77 113.70 112.81 2roq s SER 135 Ca 0.53 0.26 -0.07 0.00 1.31 0.00 0.00 55.95 57.98 2roq s SER 135 Cb -0.11 -1.95 0.04 0.00 0.21 0.00 0.00 66.02 64.21 2roq s SER 135 CO 0.58 -0.09 0.25 0.27 0.41 0.00 0.00 173.24 174.66 2roq s ILE 136 N -1.99 -0.02 0.01 1.44 -0.00 0.94 -1.38 121.20 120.20 2roq s ILE 136 Ca 0.37 0.07 0.02 0.00 -0.00 0.00 0.00 60.65 61.10 2roq s ILE 136 Cb -0.10 -0.37 -0.01 0.00 -0.00 0.00 0.00 42.46 41.98 2roq s ILE 136 CO 0.30 0.03 -0.05 -0.63 -0.00 0.00 0.00 174.94 174.59 2roq s ILE 137 N 0.68 0.40 0.40 8.37 1.01 0.43 -3.28 121.20 129.21 2roq s ILE 137 Ca -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.22 2roq s ILE 137 Cb -0.06 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 2roq s ILE 137 CO -0.04 -0.02 0.07 -0.83 0.00 0.00 0.00 174.94 174.12 2roq s GLY 138 N -0.48 2.50 -0.22 6.18 0.00 -1.26 -2.04 107.32 112.00 2roq s GLY 138 Ca -0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 2roq s GLY 138 CO -0.00 -1.91 -0.02 -0.42 0.00 0.00 0.00 173.10 170.74 2roq s ILE 139 N -3.14 3.52 0.36 0.90 -1.09 -1.22 -4.03 121.20 116.50 2roq s ILE 139 Ca 0.26 -0.44 0.08 0.00 -2.23 0.00 0.00 60.65 58.32 2roq s ILE 139 Cb 0.05 -2.61 -0.05 0.00 -1.58 0.00 0.00 42.46 38.27 2roq s ILE 139 CO 0.13 0.41 0.12 -1.10 -1.23 0.00 0.00 174.94 173.27 2roq s GLN 140 N 1.50 2.26 -0.30 2.79 -1.52 0.81 -4.66 119.66 120.54 2roq s GLN 140 Ca 0.06 -1.67 -0.06 0.00 -1.95 0.00 0.00 55.36 51.74 2roq s GLN 140 Cb -0.14 -2.07 0.19 0.00 -0.22 0.00 0.00 33.01 30.76 2roq s GLN 140 CO -0.02 0.07 0.80 0.45 -0.25 0.00 0.00 175.29 176.33 2roq s SER 141 N -3.83 -0.99 0.20 5.90 0.15 -1.26 -4.56 113.70 109.32 2roq s SER 141 Ca 0.38 0.55 -0.30 0.00 0.70 0.00 0.00 55.95 57.28 2roq s SER 141 Cb -0.00 1.80 -0.09 0.00 -1.71 0.00 0.00 66.02 66.02 2roq s SER 141 CO 0.22 -0.18 1.30 -2.16 1.20 0.00 0.00 173.24 173.61 2roq s PRO 142 N 2.90 4.40 -0.37 5.44 0.04 -1.26 -4.94 135.00 141.21 2roq s PRO 142 Ca 0.12 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2roq s PRO 142 Cb -0.12 -3.19 0.12 0.00 0.04 0.00 0.00 34.50 31.34 2roq s PRO 142 CO -0.17 -0.24 0.17 -0.98 0.04 0.00 0.00 177.00 175.82 2roq s ARG 143 N -0.18 0.92 -0.01 4.56 1.04 -1.26 -4.89 118.95 119.14 2roq s ARG 143 Ca 0.56 -1.47 -0.24 0.00 -1.04 0.00 0.00 55.73 53.53 2roq s ARG 143 Cb -0.36 -2.05 -0.19 0.00 -2.04 0.00 0.00 34.95 30.31 2roq s ARG 143 CO 0.39 -1.08 1.29 -1.00 -0.04 0.00 0.00 175.30 174.85 2roq h PRO 144 N 7.43 0.10 0.00 3.89 0.13 -2.01 -3.38 132.00 138.15 2roq h PRO 144 Ca -0.06 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2roq h PRO 144 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2roq h PRO 144 CO 0.45 0.55 0.00 0.09 -0.23 0.00 0.00 178.00 178.87 2roq n ASN 145 N -4.78 0.60 -0.42 1.44 4.13 -1.26 -4.95 115.26 110.03 2roq n ASN 145 Ca -0.08 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.12 2roq n ASN 145 Cb 0.28 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 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 -0.03 0.89 0.00 7.41 0.00 -1.26 -4.98 105.19 107.22 2roq n GLY 146 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.41 0.00 0.00 1.61 -0.04 -1.26 -4.20 135.00 130.70 2roq n PRO 147 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 2roq n PRO 147 Cb 0.14 -0.41 0.72 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.16 0.48 0.00 0.54 2.81 -1.26 -3.37 117.12 116.16 2roq n MET 148 Ca 0.00 -0.05 0.07 0.00 -1.81 0.00 0.00 57.70 55.90 2roq n MET 148 Cb 0.00 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.22 0.01 0.16 0.03 3.00 -1.26 0.19 117.38 118.28 2roq n GLN 149 Ca 0.14 0.26 -0.06 0.00 -0.01 0.00 0.00 57.00 57.33 2roq n GLN 149 Cb 0.25 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.96 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 0.00 0.00 5.09 1.35 -1.72 -3.42 112.91 114.21 2roq h THR 150 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 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 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2roq n ALA 151 N -2.36 0.58 -0.20 6.62 0.00 -1.23 -4.72 120.51 119.20 2roq n ALA 151 Ca -0.05 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.33 2roq n ALA 151 Cb 0.17 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.01 2.70 -0.67 0.00 0.00 0.13 -4.63 120.51 118.04 2roq n ALA 152 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2roq n ALA 152 Cb 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2roq n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2roq n ASN 153 N 1.20 0.00 -0.12 0.00 5.03 -0.67 0.44 115.26 121.14 2roq n ASN 153 Ca 0.22 0.67 -0.05 0.00 0.87 0.00 0.00 54.58 56.29 2roq n ASN 153 Cb 0.67 -0.17 0.03 0.00 -1.02 0.00 0.00 39.78 39.29 2roq n ASN 153 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2roq h LEU 154 N 0.00 0.10 -0.55 3.41 3.38 -1.91 -1.99 115.31 117.75 2roq h LEU 154 Ca 0.00 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2roq h LEU 154 Cb 0.00 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 2roq h LEU 154 CO 0.00 0.09 -0.06 -0.78 0.09 0.00 0.00 178.44 177.78 2roq h ASP 155 N 0.26 -0.36 0.00 -0.43 3.58 -1.81 0.47 116.42 118.13 2roq h ASP 155 Ca 0.19 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2roq h ASP 155 Cb 0.19 0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2roq h ASP 155 CO -0.21 -0.13 0.00 -0.62 -2.88 0.00 0.00 179.24 175.39 2roq n GLU 156 N -5.31 0.00 -0.37 0.28 -0.58 0.17 -1.91 120.64 112.91 2roq n GLU 156 Ca 0.06 0.48 0.29 0.00 -0.42 0.00 0.00 57.16 57.57 2roq n GLU 156 Cb 0.30 -1.45 0.57 0.00 -0.57 0.00 0.00 31.44 30.29 2roq n GLU 156 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2roq h VAL 157 N 0.00 0.34 0.78 2.62 -1.51 -1.27 0.68 116.25 117.89 2roq h VAL 157 Ca 0.00 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 2roq h VAL 157 Cb 0.00 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.23 2roq h VAL 157 CO 0.00 0.05 -0.43 0.00 -1.23 0.00 0.00 177.57 175.96 2roq h GLU 159 N -1.12 0.32 -0.39 0.00 4.39 -0.39 -2.10 114.58 115.29 2roq h GLU 159 Ca -0.10 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.64 2roq h GLU 159 Cb 0.88 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.39 2roq h GLU 159 CO 0.14 0.32 -0.17 0.00 -1.16 0.00 0.00 179.01 178.14 2roq h ALA 160 N 0.98 0.14 -0.78 3.43 0.00 -0.90 0.23 119.26 122.37 2roq h ALA 160 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2roq h ALA 160 Cb 0.11 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2roq h ALA 160 CO -0.01 -0.53 0.00 0.72 0.00 0.00 0.00 179.25 179.43 2roq n HIS 161 N -5.36 0.00 -0.32 0.00 8.25 -0.17 -1.89 115.22 115.73 2roq n HIS 161 Ca 0.02 0.00 0.29 0.00 -0.26 0.00 0.00 57.72 57.78 2roq n HIS 161 Cb 0.27 -0.37 0.55 0.00 1.12 0.00 0.00 29.99 31.56 2roq n HIS 161 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2roq h LEU 162 N 0.00 0.27 0.65 2.41 -0.00 -1.36 0.87 115.31 118.15 2roq h LEU 162 Ca 0.00 0.25 -0.03 0.00 -0.00 0.00 0.00 57.88 58.11 2roq h LEU 162 Cb 0.00 0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 2roq h LEU 162 CO 0.00 -0.40 -0.44 0.00 -0.00 0.00 0.00 178.44 177.60 2roq h ALA 163 N 1.98 -1.21 0.00 1.53 0.00 -0.44 -1.13 119.26 119.99 2roq h ALA 163 Ca 0.81 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2roq h ALA 163 Cb 2.09 0.58 0.00 0.00 0.00 0.00 0.00 17.79 20.46 2roq h ALA 163 CO -0.77 -1.18 0.00 2.41 0.00 0.00 0.00 179.25 179.71 2roq n THR 164 N -5.17 0.39 -0.04 0.00 -1.04 0.26 -1.75 114.28 106.92 2roq n THR 164 Ca -0.13 0.10 -0.09 0.00 -2.04 0.00 0.00 64.05 61.89 2roq n THR 164 Cb 0.44 -0.73 -0.08 0.00 -1.82 0.00 0.00 70.33 68.14 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 -0.03 -0.08 -4.42 4.07 0.12 -1.43 115.31 113.55 2roq h LEU 165 Ca 0.00 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.39 2roq h LEU 165 Cb 0.27 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.02 2roq h LEU 165 CO 0.00 0.74 -0.26 0.18 -1.08 0.00 0.00 178.44 178.02 2roq n LEU 166 N -4.72 0.38 -0.10 1.67 7.99 -0.48 -2.07 117.00 119.67 2roq n LEU 166 Ca -0.06 0.13 -0.15 0.00 -0.01 0.00 0.00 56.01 55.92 2roq n LEU 166 Cb 0.29 -0.30 -0.06 0.00 -0.11 0.00 0.00 43.42 43.24 2roq n LEU 166 CO 0.22 0.08 -0.78 1.21 -1.51 0.00 0.00 177.39 176.61 2roq n GLU 167 N -1.34 0.53 0.16 3.23 2.13 -0.71 -4.38 120.64 120.26 2roq n GLU 167 Ca 0.08 0.36 0.03 0.00 0.66 0.00 0.00 57.16 58.29 2roq n GLU 167 Cb 0.33 -1.56 0.21 0.00 0.27 0.00 0.00 31.44 30.69 2roq n GLU 167 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2roq h GLN 168 N -1.00 0.00 -4.03 5.31 -0.00 -1.42 -3.40 115.11 110.57 2roq h GLN 168 Ca -0.24 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 57.81 2roq h GLN 168 Cb 1.10 0.00 -0.40 0.00 0.00 0.00 0.00 27.48 28.18 2roq h GLN 168 CO -0.14 0.47 -0.75 -0.65 0.00 0.00 0.00 178.83 177.76 2roq s GLN 169 N -3.38 1.11 0.00 1.69 -1.52 -0.88 -4.97 119.66 111.71 2roq s GLN 169 Ca 0.01 -1.24 0.10 0.00 -1.95 0.00 0.00 55.36 52.28 2roq s GLN 169 Cb 0.10 -2.45 0.59 0.00 -0.22 0.00 0.00 33.01 31.03 2roq s GLN 169 CO 0.72 -0.87 1.03 -0.35 -0.25 0.00 0.00 175.29 175.56 2roq n PRO 170 N 4.66 0.49 -1.93 2.91 -0.04 -1.26 -4.01 135.00 135.82 2roq n PRO 170 Ca -0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.27 2roq n PRO 170 Cb 0.43 -1.32 0.09 0.00 -0.04 0.00 0.00 33.50 32.66 2roq n PRO 170 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2roq n HIS 171 N -0.82 -3.12 0.00 0.54 8.25 -1.26 -5.09 115.22 113.72 2roq n HIS 171 Ca 0.07 -1.20 0.00 0.00 -0.26 0.00 0.00 57.72 56.34 2roq n HIS 171 Cb 0.03 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.63 2roq n HIS 171 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2roq n GLY 172 N -0.32 0.07 3.59 -1.41 0.00 -1.26 -4.87 105.19 100.98 2roq n GLY 172 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.95 3.25 0.34 1.61 0.04 0.40 -4.44 135.00 135.25 2roq s PRO 173 Ca 0.00 1.17 0.04 0.00 0.04 0.00 0.00 61.00 62.25 2roq s PRO 173 Cb 0.00 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 2roq s PRO 173 CO 0.00 -1.97 0.16 0.71 0.04 0.00 0.00 177.00 175.94 2roq s TYR 174 N 7.01 1.70 -0.29 0.56 2.02 -1.26 -4.53 117.35 122.56 2roq s TYR 174 Ca 0.74 -1.35 -0.16 0.00 -0.37 0.00 0.00 57.07 55.93 2roq s TYR 174 Cb -0.19 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.38 2roq s TYR 174 CO 0.31 -0.45 0.42 0.71 -1.57 0.00 0.00 175.55 174.96 2roq s TYR 175 N -3.45 3.23 0.39 2.71 2.02 -1.26 -2.79 117.35 118.21 2roq s TYR 175 Ca 0.32 0.34 0.08 0.00 -0.37 0.00 0.00 57.07 57.44 2roq s TYR 175 Cb 0.04 -2.67 -0.03 0.00 -0.40 0.00 0.00 41.96 38.90 2roq s TYR 175 CO 0.17 -0.32 0.30 -0.51 -1.57 0.00 0.00 175.55 173.62 2roq s LEU 176 N 2.16 3.37 -0.18 -1.29 2.01 -0.79 -3.60 118.68 120.36 2roq s LEU 176 Ca 0.16 -0.76 -0.15 0.00 0.01 0.00 0.00 54.13 53.40 2roq s LEU 176 Cb -0.16 -1.94 0.05 0.00 0.01 0.00 0.00 46.19 44.15 2roq s LEU 176 CO 0.11 -0.53 0.46 -0.22 1.01 0.00 0.00 176.35 177.17 2roq s LEU 177 N -4.03 0.15 0.15 1.79 0.20 -1.22 -1.41 118.68 114.31 2roq s LEU 177 Ca 0.44 0.94 -0.10 0.00 0.69 0.00 0.00 54.13 56.10 2roq s LEU 177 Cb -0.02 1.56 -0.00 0.00 -0.43 0.00 0.00 46.19 47.29 2roq s LEU 177 CO 0.26 -0.17 0.29 -0.83 -0.29 0.00 0.00 176.35 175.61 2roq s GLY 178 N 0.50 0.31 -0.03 7.98 0.00 0.74 -2.79 107.32 114.05 2roq s GLY 178 Ca -0.02 -0.73 -0.20 0.00 0.00 0.00 0.00 44.72 43.76 2roq s GLY 178 CO -0.03 -0.76 0.44 -2.52 0.00 0.00 0.00 173.10 170.23 2roq s TYR 179 N -3.93 -0.35 0.00 1.90 -0.85 -1.26 -0.03 117.35 112.84 2roq s TYR 179 Ca 0.13 0.57 0.00 0.00 -0.52 0.00 0.00 57.07 57.25 2roq s TYR 179 Cb 0.03 0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.58 2roq s TYR 179 CO -0.03 -0.46 0.00 0.45 -1.52 0.00 0.00 175.55 173.98 2roq n SER 180 N 1.17 0.00 -0.31 -0.18 2.88 -0.57 -0.98 113.62 115.63 2roq n SER 180 Ca -0.21 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.45 2roq n SER 180 Cb 0.56 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.19 2roq n SER 180 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2roq n LEU 181 N 0.00 1.40 -0.11 2.46 7.94 -1.26 -4.28 117.00 123.15 2roq n LEU 181 Ca 0.00 -0.47 0.27 0.00 -1.11 0.00 0.00 56.01 54.70 2roq n LEU 181 Cb 0.00 -0.07 0.72 0.00 0.53 0.00 0.00 43.42 44.60 2roq n LEU 181 CO 0.00 0.27 1.24 1.23 -1.11 0.00 0.00 177.39 179.02 2roq h GLY 182 N 4.91 0.00 0.77 -3.96 0.00 -1.37 -1.89 103.07 101.53 2roq h GLY 182 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2roq h GLY 182 CO 0.00 0.00 -0.37 -1.33 0.00 0.00 0.00 176.54 174.84 2roq h GLY 183 N 0.00 -0.95 0.84 4.60 0.00 -1.84 0.34 103.07 106.05 2roq h GLY 183 Ca 0.37 0.42 -0.07 0.00 0.00 0.00 0.00 47.33 48.05 2roq h GLY 183 CO -0.00 -0.34 -0.11 -0.84 0.00 0.00 0.00 176.54 175.25 2roq h THR 184 N -0.86 1.30 0.23 4.70 2.02 -1.70 -2.12 112.91 116.48 2roq h THR 184 Ca -0.06 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 65.94 2roq h THR 184 Cb 0.72 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 2roq h THR 184 CO 0.03 0.37 -0.23 -0.07 0.37 0.00 0.00 175.52 175.98 2roq h LEU 185 N 0.21 -0.63 -0.86 2.58 -0.00 -1.35 -2.03 115.31 113.22 2roq h LEU 185 Ca 0.05 0.06 0.07 0.00 -0.00 0.00 0.00 57.88 58.06 2roq h LEU 185 Cb 0.61 0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 41.42 2roq h LEU 185 CO 0.03 -0.34 0.53 0.00 -0.00 0.00 0.00 178.44 178.66 2roq h ALA 186 N 0.19 1.19 -0.06 1.53 0.00 -0.37 -2.03 119.26 119.72 2roq h ALA 186 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2roq h ALA 186 Cb 0.47 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2roq h ALA 186 CO -0.06 0.26 -0.20 1.96 0.00 0.00 0.00 179.25 181.21 2roq h GLN 187 N 0.95 -0.28 0.23 0.00 7.50 -0.95 0.28 115.11 122.84 2roq h GLN 187 Ca 0.38 0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.54 2roq h GLN 187 Cb 0.20 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 2roq h GLN 187 CO -0.18 -0.19 -0.15 0.78 -1.50 0.00 0.00 178.83 177.59 2roq h GLY 188 N -0.29 -0.37 0.76 3.46 0.00 -0.97 -1.99 103.07 103.66 2roq h GLY 188 Ca 0.08 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.62 2roq h GLY 188 CO -0.23 -0.15 0.51 -2.22 0.00 0.00 0.00 176.54 174.45 2roq h ILE 189 N -0.37 1.06 0.06 2.60 2.04 -1.17 -2.05 117.51 119.67 2roq h ILE 189 Ca -0.02 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2roq h ILE 189 Cb 0.31 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2roq h ILE 189 CO 0.01 0.17 -0.18 0.00 0.00 0.00 0.00 178.15 178.16 2roq h ALA 190 N 1.38 -0.26 -0.63 1.87 0.00 -0.18 -1.82 119.26 119.63 2roq h ALA 190 Ca 0.35 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.31 2roq h ALA 190 Cb 0.13 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2roq h ALA 190 CO -0.16 -0.69 0.41 0.00 0.00 0.00 0.00 179.25 178.82 2roq h ALA 191 N 0.55 1.80 -0.21 0.00 0.00 -1.01 -0.63 119.26 119.76 2roq h ALA 191 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2roq h ALA 191 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2roq h ALA 191 CO -0.13 0.10 -0.15 0.00 0.00 0.00 0.00 179.25 179.07 2roq h ARG 192 N 0.61 0.35 0.15 0.00 -0.00 -0.65 -2.04 114.38 112.80 2roq h ARG 192 Ca 0.27 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.98 59.65 2roq h ARG 192 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.21 2roq h ARG 192 CO -0.08 0.50 -0.07 -0.07 0.00 0.00 0.00 179.97 180.24 2roq h LEU 193 N 0.32 -0.17 -2.59 3.04 3.38 -0.40 0.23 115.31 119.12 2roq h LEU 193 Ca 0.06 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2roq h LEU 193 Cb 0.45 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2roq h LEU 193 CO 0.03 0.39 0.12 0.08 0.09 0.00 0.00 178.44 179.15 2roq h ARG 194 N -0.88 0.00 0.00 1.13 -0.00 -1.14 0.36 114.38 113.86 2roq h ARG 194 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.80 2roq h ARG 194 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.46 2roq h ARG 194 CO 0.03 0.00 -2.03 0.00 -0.00 0.00 0.00 179.97 177.97 2roq n ALA 195 N -2.06 2.20 0.65 0.08 0.00 -0.77 -4.16 120.51 116.45 2roq n ALA 195 Ca -0.02 -0.82 0.13 0.00 0.00 0.00 0.00 53.44 52.73 2roq n ALA 195 Cb 0.19 -0.58 0.44 0.00 0.00 0.00 0.00 19.45 19.50 2roq n ALA 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2roq n ARG 196 N -2.54 0.22 0.00 0.00 5.12 0.81 -4.89 116.66 115.38 2roq n ARG 196 Ca -0.15 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2roq n ARG 196 Cb 0.82 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 2roq n ARG 196 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2roq n GLY 197 N 1.21 2.03 3.99 -0.13 0.00 -0.63 -5.05 105.19 106.61 2roq n GLY 197 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.10 2.28 0.24 1.61 0.41 -0.47 -4.97 118.70 117.70 2roq s GLU 198 Ca 0.00 -1.08 0.06 0.00 -0.41 0.00 0.00 54.97 53.54 2roq s GLU 198 Cb 0.00 -2.50 -0.05 0.00 -1.78 0.00 0.00 34.13 29.79 2roq s GLU 198 CO 0.00 -0.90 -0.07 1.14 -0.49 0.00 0.00 175.26 174.94 2roq s GLN 199 N -4.80 1.42 -0.23 1.61 -2.07 -1.26 -2.64 119.66 111.68 2roq s GLN 199 Ca 0.60 -1.69 -0.07 0.00 -1.82 0.00 0.00 55.36 52.38 2roq s GLN 199 Cb -0.08 -0.99 -0.03 0.00 -1.09 0.00 0.00 33.01 30.82 2roq s GLN 199 CO 0.40 0.04 0.06 0.14 -1.32 0.00 0.00 175.29 174.61 2roq s VAL 200 N -3.12 4.31 -0.02 3.63 -7.23 -1.26 -0.45 120.40 116.26 2roq s VAL 200 Ca 0.27 -0.18 -0.21 0.00 -1.81 0.00 0.00 61.98 60.05 2roq s VAL 200 Cb 0.03 -3.00 -0.14 0.00 0.56 0.00 0.00 36.38 33.83 2roq s VAL 200 CO 0.09 0.37 0.95 0.00 -0.31 0.00 0.00 175.10 176.20 2roq h ALA 201 N 7.93 -0.43 -0.73 1.32 0.00 -1.78 -3.45 119.26 122.11 2roq h ALA 201 Ca -0.38 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.54 2roq h ALA 201 Cb 1.18 0.17 -0.22 0.00 0.00 0.00 0.00 17.79 18.91 2roq h ALA 201 CO 0.60 -0.49 0.12 0.12 0.00 0.00 0.00 179.25 179.60 2roq s PHE 202 N -3.91 -0.74 0.25 0.00 5.36 -1.12 -4.77 117.98 113.05 2roq s PHE 202 Ca -0.12 1.00 -0.08 0.00 -0.96 0.00 0.00 56.93 56.76 2roq s PHE 202 Cb 0.01 0.34 -0.07 0.00 -0.34 0.00 0.00 43.02 42.96 2roq s PHE 202 CO 0.43 -0.39 0.55 -0.51 -1.46 0.00 0.00 175.22 173.85 2roq s LEU 203 N 2.71 4.12 -0.03 6.12 1.02 -1.22 -1.88 118.68 129.52 2roq s LEU 203 Ca 0.01 0.86 0.02 0.00 0.02 0.00 0.00 54.13 55.04 2roq s LEU 203 Cb -0.09 -3.64 -0.03 0.00 0.02 0.00 0.00 46.19 42.44 2roq s LEU 203 CO -0.15 -0.12 -0.06 -0.83 0.02 0.00 0.00 176.35 175.20 2roq s GLY 204 N -2.62 1.73 -0.03 -3.19 0.00 -0.50 -0.10 107.32 102.62 2roq s GLY 204 Ca 0.46 -0.96 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 2roq s GLY 204 CO 0.24 -0.78 0.02 1.08 0.00 0.00 0.00 173.10 173.66 2roq s LEU 205 N -1.14 1.00 -0.48 0.66 1.02 0.25 -0.18 118.68 119.80 2roq s LEU 205 Ca 0.15 0.01 -0.05 0.00 0.02 0.00 0.00 54.13 54.26 2roq s LEU 205 Cb -0.11 -0.15 0.13 0.00 0.02 0.00 0.00 46.19 46.07 2roq s LEU 205 CO 0.05 -0.13 0.31 -0.76 0.02 0.00 0.00 176.35 175.84 2roq s LEU 206 N 1.20 5.46 0.01 1.79 1.02 0.96 -2.29 118.68 126.83 2roq s LEU 206 Ca -0.07 -2.16 -0.01 0.00 0.02 0.00 0.00 54.13 51.91 2roq s LEU 206 Cb -0.13 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.17 2roq s LEU 206 CO -0.03 -0.57 0.01 0.47 0.02 0.00 0.00 176.35 176.26 2roq n ASP 207 N 4.49 -7.68 -2.66 2.29 8.00 -0.97 -1.52 116.55 118.51 2roq n ASP 207 Ca -0.02 1.49 -0.05 0.00 0.71 0.00 0.00 54.79 56.92 2roq n ASP 207 Cb 0.41 -4.42 0.05 0.00 -0.02 0.00 0.00 41.12 37.14 2roq n ASP 207 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2roq n THR 208 N 1.47 0.00 -4.22 -3.53 5.66 -1.19 -3.66 114.28 108.81 2roq n THR 208 Ca -0.02 -1.04 -0.13 0.00 -3.05 0.00 0.00 64.05 59.80 2roq n THR 208 Cb 0.03 0.78 -0.10 0.00 -1.55 0.00 0.00 70.33 69.50 2roq n THR 208 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2roq s TRP 209 N 0.11 1.15 -0.29 1.09 0.52 -1.26 -5.02 118.94 115.24 2roq s TRP 209 Ca 0.12 -0.81 -0.29 0.00 0.02 0.00 0.00 56.10 55.15 2roq s TRP 209 Cb 0.23 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.93 2roq s TRP 209 CO -0.05 0.01 1.66 -1.25 0.02 0.00 0.00 176.95 177.34 2roq s PRO 210 N -3.76 3.59 0.05 4.98 0.04 -1.26 -4.91 135.00 133.73 2roq s PRO 210 Ca 0.15 1.48 -0.19 0.00 0.04 0.00 0.00 61.00 62.48 2roq s PRO 210 Cb 0.03 -4.10 -0.13 0.00 0.04 0.00 0.00 34.50 30.35 2roq s PRO 210 CO -0.01 -1.54 1.36 -1.00 0.04 0.00 0.00 177.00 175.85 2roq h PRO 211 N 11.54 0.42 -0.66 0.56 0.13 -1.81 -3.34 132.00 138.85 2roq h PRO 211 Ca -0.33 -0.22 -0.07 0.00 -0.87 0.00 0.00 66.00 64.51 2roq h PRO 211 Cb 1.15 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 2roq h PRO 211 CO 1.02 0.79 -0.33 -2.00 -0.23 0.00 0.00 178.00 177.25 2roq s GLU 212 N -4.32 0.68 -1.43 0.86 2.12 -1.26 -2.31 118.70 113.04 2roq s GLU 212 Ca -0.14 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.57 2roq s GLU 212 Cb 0.06 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.43 2roq s GLU 212 CO 0.77 -0.86 0.00 2.41 -0.54 0.00 0.00 175.26 177.04 2roq n THR 213 N 2.99 -0.46 -4.36 -1.70 -1.04 -1.26 -4.95 114.28 103.50 2roq n THR 213 Ca 0.14 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.89 2roq n THR 213 Cb 0.60 -1.92 -0.10 0.00 -1.82 0.00 0.00 70.33 67.08 2roq n THR 213 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2roq s GLN 214 N -4.39 1.81 -0.30 -2.82 0.74 -1.26 -5.13 119.66 108.32 2roq s GLN 214 Ca 0.00 -1.41 -0.33 0.00 0.05 0.00 0.00 55.36 53.68 2roq s GLN 214 Cb 0.00 -2.01 0.18 0.00 1.10 0.00 0.00 33.01 32.29 2roq s GLN 214 CO 0.00 0.41 1.39 -0.80 -0.55 0.00 0.00 175.29 175.74 2roq s ASN 215 N -2.81 -0.01 -0.03 6.67 0.01 -1.26 -4.40 114.94 113.11 2roq s ASN 215 Ca 0.23 0.01 0.20 0.00 -0.71 0.00 0.00 52.86 52.59 2roq s ASN 215 Cb -0.08 0.01 -0.31 0.00 0.41 0.00 0.00 41.25 41.28 2roq s ASN 215 CO 0.13 -0.01 0.46 -2.67 -1.51 0.00 0.00 177.10 173.50 2roq n TRP 216 N 0.32 0.00 1.04 2.20 4.27 -1.26 -4.26 117.44 119.75 2roq n TRP 216 Ca 0.03 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.75 2roq n TRP 216 Cb 0.58 -0.44 0.10 0.00 -1.36 0.00 0.00 31.31 30.19 2roq n TRP 216 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 2roq n GLN 217 N -2.17 0.35 -1.20 -2.67 7.27 -1.26 -3.88 117.38 113.82 2roq n GLN 217 Ca -0.03 -0.26 -0.20 0.00 0.07 0.00 0.00 57.00 56.58 2roq n GLN 217 Cb 0.51 -1.49 -0.05 0.00 2.41 0.00 0.00 30.24 31.62 2roq n GLN 217 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2roq n GLU 218 N -1.10 2.11 -3.55 3.69 2.13 -1.26 -4.73 120.64 117.92 2roq n GLU 218 Ca 0.07 -1.79 -0.19 0.00 0.66 0.00 0.00 57.16 55.91 2roq n GLU 218 Cb 0.36 -1.93 0.07 0.00 0.27 0.00 0.00 31.44 30.21 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 1.08 -5.98 -0.17 5.31 4.81 -1.26 -4.90 118.16 117.04 2roq n LYS 219 Ca 0.41 0.75 0.07 0.00 -0.87 0.00 0.00 58.31 58.67 2roq n LYS 219 Cb 0.62 -5.59 0.16 0.00 0.02 0.00 0.00 35.03 30.24 2roq n LYS 219 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2roq n GLU 220 N -4.23 2.39 0.19 1.64 4.07 -1.25 -4.53 120.64 118.92 2roq n GLU 220 Ca -0.28 -1.99 0.17 0.00 -0.06 0.00 0.00 57.16 55.00 2roq n GLU 220 Cb 0.67 -1.32 0.80 0.00 -0.06 0.00 0.00 31.44 31.52 2roq n GLU 220 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2roq h ALA 221 N 2.59 1.89 -0.01 4.31 0.00 -1.87 0.17 119.26 126.35 2roq h ALA 221 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2roq h ALA 221 Cb 0.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2roq h ALA 221 CO 0.00 -0.30 -0.52 -1.71 0.00 0.00 0.00 179.25 176.71 2roq n ASN 222 N -3.93 1.15 -0.35 0.00 4.05 -1.26 -4.41 115.26 110.51 2roq n ASN 222 Ca 0.02 -1.08 0.08 0.00 0.45 0.00 0.00 54.58 54.05 2roq n ASN 222 Cb 0.33 0.74 0.17 0.00 1.23 0.00 0.00 39.78 42.25 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2roq n GLY 223 N 1.25 4.88 3.57 8.20 0.00 0.07 -5.01 105.19 118.16 2roq n GLY 223 Ca 0.05 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.99 3.41 0.64 0.99 1.43 0.38 -4.94 118.68 117.60 2roq s LEU 224 Ca 0.35 1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 54.41 2roq s LEU 224 Cb 0.32 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 2roq s LEU 224 CO 0.01 -2.25 1.26 -1.81 0.23 0.00 0.00 176.35 173.78 2roq s ASP 225 N 8.75 4.75 0.00 2.29 1.11 -1.26 -4.88 116.67 127.44 2roq s ASP 225 Ca 0.86 2.52 0.15 0.00 0.18 0.00 0.00 52.55 56.26 2roq s ASP 225 Cb -0.21 -2.61 0.82 0.00 1.07 0.00 0.00 42.92 41.99 2roq s ASP 225 CO 0.29 -1.90 1.38 -0.81 1.18 0.00 0.00 175.17 175.31 2roq n PRO 226 N -1.88 0.33 0.15 8.23 -0.04 -1.26 -2.74 135.00 137.78 2roq n PRO 226 Ca 0.15 0.08 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 2roq n PRO 226 Cb 0.49 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.29 2roq n PRO 226 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2roq h GLU 227 N 0.00 0.54 0.02 0.54 4.81 -1.98 -2.25 114.58 116.26 2roq h GLU 227 Ca 0.00 -0.93 -0.24 0.00 -0.13 0.00 0.00 59.36 58.06 2roq h GLU 227 Cb 0.08 0.35 0.01 0.00 0.63 0.00 0.00 28.75 29.81 2roq h GLU 227 CO 0.00 1.45 -0.99 -0.24 -0.73 0.00 0.00 179.01 178.49 2roq h VAL 228 N 0.15 1.39 -0.13 0.32 3.04 -1.89 -2.53 116.25 116.60 2roq h VAL 228 Ca -0.26 -2.48 -0.10 0.00 -1.01 0.00 0.00 66.70 62.85 2roq h VAL 228 Cb 2.18 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 33.93 2roq h VAL 228 CO 0.28 0.74 -0.31 -0.07 -1.01 0.00 0.00 177.57 177.20 2roq h LEU 229 N 0.24 0.50 -1.62 3.16 3.38 -1.67 -2.11 115.31 117.19 2roq h LEU 229 Ca -0.09 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 2roq h LEU 229 Cb 1.64 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 2roq h LEU 229 CO 0.17 0.98 -0.14 0.00 0.09 0.00 0.00 178.44 179.55 2roq h ALA 230 N 0.53 1.13 0.00 1.53 0.00 -1.49 -0.74 119.26 120.23 2roq h ALA 230 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2roq h ALA 230 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2roq h ALA 230 CO 0.07 0.17 -0.00 0.93 0.00 0.00 0.00 179.25 180.42 2roq h GLU 231 N 0.00 -0.00 -0.27 0.00 4.39 -1.36 -1.80 114.58 115.54 2roq h GLU 231 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2roq h GLU 231 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2roq h GLU 231 CO 0.02 0.87 -0.24 -0.84 -1.16 0.00 0.00 179.01 177.67 2roq h ILE 232 N -0.91 1.26 -0.04 3.13 3.07 -1.31 -2.08 117.51 120.64 2roq h ILE 232 Ca -0.00 -1.25 -0.19 0.00 1.55 0.00 0.00 64.86 64.97 2roq h ILE 232 Cb 0.88 1.31 -0.01 0.00 -0.27 0.00 0.00 36.82 38.74 2roq h ILE 232 CO 0.00 0.40 -0.79 0.78 -1.05 0.00 0.00 178.15 177.49 2roq h ASN 233 N 0.46 0.42 -0.21 2.16 2.35 -1.24 -2.12 115.58 117.39 2roq h ASN 233 Ca 0.07 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.39 2roq h ASN 233 Cb 0.66 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2roq h ASN 233 CO 0.05 1.05 -0.32 -0.09 -1.65 0.00 0.00 177.43 176.47 2roq h ARG 234 N 0.22 0.72 -0.12 0.81 2.43 -1.11 0.25 114.38 117.57 2roq h ARG 234 Ca -0.04 -0.33 -0.23 0.00 -0.81 0.00 0.00 59.98 58.56 2roq h ARG 234 Cb 1.39 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.94 2roq h ARG 234 CO 0.13 0.94 -0.83 0.93 -1.51 0.00 0.00 179.97 179.63 2roq h GLU 235 N 0.61 0.78 -0.10 0.20 4.39 -1.38 -1.58 114.58 117.50 2roq h GLU 235 Ca 0.07 -0.68 -0.22 0.00 0.34 0.00 0.00 59.36 58.87 2roq h GLU 235 Cb 0.84 0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.65 2roq h GLU 235 CO 0.07 1.27 -0.81 -0.09 -1.16 0.00 0.00 179.01 178.29 2roq h ARG 236 N 0.51 0.63 0.00 2.33 2.43 -1.33 -2.02 114.38 116.93 2roq h ARG 236 Ca -0.07 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 2roq h ARG 236 Cb 1.47 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 2roq h ARG 236 CO 0.17 1.16 0.00 1.49 -1.51 0.00 0.00 179.97 181.28 2roq h GLU 237 N 0.41 0.00 0.00 0.20 4.22 -0.55 -0.56 114.58 118.30 2roq h GLU 237 Ca -0.06 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.33 2roq h GLU 237 Cb 1.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2roq h GLU 237 CO 0.16 0.00 -1.22 0.00 -2.18 0.00 0.00 179.01 175.76 2roq n ALA 238 N -2.01 2.38 -0.03 2.92 0.00 -0.60 -3.60 120.51 119.58 2roq n ALA 238 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.08 2roq n ALA 238 Cb 0.40 -1.02 -0.01 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 -2.69 0.07 -0.20 0.00 7.35 -0.77 -3.10 117.46 118.12 2roq n PHE 239 Ca -0.03 0.03 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 2roq n PHE 239 Cb 0.63 -0.24 0.11 0.00 0.35 0.00 0.00 39.48 40.33 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 -0.39 -0.05 0.16 -2.13 7.12 -1.34 -2.98 115.31 115.69 2roq h LEU 240 Ca 0.00 0.12 -0.01 0.00 0.13 0.00 0.00 57.88 58.12 2roq h LEU 240 Cb 0.36 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 2roq h LEU 240 CO 0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 178.44 178.21 2roq h ALA 241 N 1.51 -0.21 -3.96 1.25 0.00 -1.66 -3.44 119.26 112.73 2roq h ALA 241 Ca 0.32 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 2roq h ALA 241 Cb 0.50 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2roq h ALA 241 CO -0.44 -0.23 -0.31 0.00 0.00 0.00 0.00 179.25 178.27 2roq n ALA 242 N -2.68 -0.80 -2.57 0.00 0.00 -1.13 -0.33 120.51 113.00 2roq n ALA 242 Ca -0.05 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 2roq n ALA 242 Cb 0.20 -1.53 -0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.84 -2.45 0.00 0.00 3.00 -1.26 -4.89 117.38 108.94 2roq n GLN 243 Ca -0.13 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2roq n GLN 243 Cb 0.60 -5.24 0.00 0.00 0.00 0.00 0.00 30.24 25.61 2roq n GLN 243 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2roq n GLN 244 N -2.97 0.00 0.00 -1.09 1.13 0.55 -5.03 117.38 109.97 2roq n GLN 244 Ca -0.13 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2roq n GLN 244 Cb 0.61 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 29.91 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 0.59 0.71 0.01 1.08 0.00 -1.26 -5.06 105.19 101.26 2roq n GLY 245 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.73 2roq n GLY 245 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2roq n SER 246 N 0.00 4.29 -3.76 1.61 3.41 -1.26 -4.98 113.62 112.92 2roq n SER 246 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 2roq n SER 246 Cb 0.00 0.97 -0.17 0.00 -0.26 0.00 0.00 64.21 64.75 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 -2.17 0.38 0.00 6.66 2.01 -1.26 -5.07 115.64 116.18 2roq s THR 247 Ca -0.01 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2roq s THR 247 Cb 0.02 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.92 2roq s THR 247 CO 0.13 0.17 0.70 -1.20 -0.69 0.00 0.00 174.62 173.73 2roq n SER 248 N 5.14 0.00 -0.09 3.53 7.64 -1.26 -4.59 113.62 123.99 2roq n SER 248 Ca -0.07 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2roq n SER 248 Cb 0.50 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2roq n SER 248 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2roq n THR 249 N -1.40 0.00 0.09 0.44 -2.24 -1.26 -4.85 114.28 105.06 2roq n THR 249 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2roq n THR 249 Cb 0.00 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 2roq n THR 249 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2roq h GLU 250 N 0.00 -0.25 -0.50 -0.78 4.81 -1.99 -2.13 114.58 113.74 2roq h GLU 250 Ca 0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2roq h GLU 250 Cb 1.06 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2roq h GLU 250 CO 0.00 -0.17 0.31 1.25 -0.73 0.00 0.00 179.01 179.67 2roq h LEU 251 N -0.55 0.59 0.55 1.64 6.46 -1.92 -2.10 115.31 119.99 2roq h LEU 251 Ca -0.03 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2roq h LEU 251 Cb 0.20 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2roq h LEU 251 CO 0.04 0.46 -0.49 -0.26 -0.62 0.00 0.00 178.44 177.57 2roq h PHE 252 N 0.67 -1.36 -0.94 1.25 0.04 -1.87 0.27 116.94 115.00 2roq h PHE 252 Ca 0.18 0.01 0.23 0.00 2.80 0.00 0.00 57.97 61.18 2roq h PHE 252 Cb -0.03 0.52 -0.07 0.00 2.20 0.00 0.00 35.95 38.57 2roq h PHE 252 CO -0.03 -0.67 0.62 1.15 -0.60 0.00 0.00 178.31 178.78 2roq h THR 253 N -1.03 0.63 -0.06 -1.55 2.02 -1.33 -0.02 112.91 111.57 2roq h THR 253 Ca -0.07 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 2roq h THR 253 Cb 0.87 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2roq h THR 253 CO -0.03 0.06 -0.21 0.74 0.37 0.00 0.00 175.52 176.46 2roq h THR 254 N 0.35 1.43 0.99 3.16 2.02 -0.65 -2.13 112.91 118.08 2roq h THR 254 Ca 0.49 -1.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.03 2roq h THR 254 Cb 1.32 2.30 0.01 0.00 -1.74 0.00 0.00 68.15 70.04 2roq h THR 254 CO -0.18 0.45 -0.48 0.40 0.37 0.00 0.00 175.52 176.08 2roq h ILE 255 N -0.26 0.01 -0.86 3.11 1.08 0.97 0.31 117.51 121.87 2roq h ILE 255 Ca -0.01 -0.01 0.13 0.00 -0.39 0.00 0.00 64.86 64.58 2roq h ILE 255 Cb 0.83 0.01 -0.07 0.00 -3.07 0.00 0.00 36.82 34.53 2roq h ILE 255 CO 0.04 0.00 0.56 -0.33 -0.69 0.00 0.00 178.15 177.73 2roq h GLU 256 N -1.35 0.66 0.00 2.37 5.08 -1.20 0.81 114.58 120.96 2roq h GLU 256 Ca -0.14 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2roq h GLU 256 Cb 1.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2roq h GLU 256 CO 0.22 0.44 -0.38 0.78 -1.00 0.00 0.00 179.01 179.07 2roq h GLY 257 N 0.68 0.00 0.23 -3.84 0.00 -1.14 -2.12 103.07 96.89 2roq h GLY 257 Ca 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 2roq h GLY 257 CO -0.18 0.00 -0.02 3.43 0.00 0.00 0.00 176.54 179.77 2roq h ASN 258 N 0.00 -0.04 -0.39 0.19 -0.26 0.20 -2.13 115.58 113.15 2roq h ASN 258 Ca -0.00 -0.65 -0.06 0.00 -0.56 0.00 0.00 56.30 55.03 2roq h ASN 258 Cb 1.09 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.35 2roq h ASN 258 CO 0.05 0.68 -0.01 0.22 -1.06 0.00 0.00 177.43 177.30 2roq h TYR 259 N -0.82 0.76 -0.47 1.19 5.03 -1.35 -0.26 116.97 121.05 2roq h TYR 259 Ca -0.01 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.16 2roq h TYR 259 Cb 0.69 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.75 2roq h TYR 259 CO 0.17 0.78 0.25 0.00 -1.32 0.00 0.00 178.16 178.04 2roq h ALA 260 N 0.87 0.60 -0.30 1.82 0.00 -1.50 0.19 119.26 120.94 2roq h ALA 260 Ca 0.11 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2roq h ALA 260 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2roq h ALA 260 CO 0.02 0.13 -0.30 -0.44 0.00 0.00 0.00 179.25 178.66 2roq h ASP 261 N 0.62 0.65 -0.31 0.00 5.19 -1.31 -1.08 116.42 120.19 2roq h ASP 261 Ca 0.17 -0.25 -0.17 0.00 -0.62 0.00 0.00 57.03 56.15 2roq h ASP 261 Cb 0.06 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 2roq h ASP 261 CO -0.03 0.92 -0.46 0.00 -3.12 0.00 0.00 179.24 176.56 2roq h ALA 262 N 1.13 0.47 0.00 3.45 0.00 -0.72 0.33 119.26 123.93 2roq h ALA 262 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2roq h ALA 262 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2roq h ALA 262 CO 0.06 0.62 0.00 1.55 0.00 0.00 0.00 179.25 181.49 2roq n VAL 263 N -4.08 0.36 0.01 0.00 3.14 0.65 -1.65 118.33 116.76 2roq n VAL 263 Ca -0.04 -0.03 0.08 0.00 -2.96 0.00 0.00 64.34 61.39 2roq n VAL 263 Cb 0.58 -0.64 -0.12 0.00 -1.06 0.00 0.00 33.84 32.59 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 -1.77 0.51 0.00 1.45 0.63 -0.42 -4.39 116.66 112.68 2roq n ARG 264 Ca 0.06 -0.14 0.10 0.00 -0.92 0.00 0.00 57.85 56.95 2roq n ARG 264 Cb 0.33 -1.38 -0.09 0.00 0.45 0.00 0.00 32.46 31.78 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 -2.04 0.95 0.11 6.15 -0.00 0.12 -4.19 117.00 118.09 2roq n LEU 265 Ca -0.03 -0.45 0.09 0.00 -0.00 0.00 0.00 56.01 55.62 2roq n LEU 265 Cb 0.41 -0.02 0.43 0.00 -0.00 0.00 0.00 43.42 44.24 2roq n LEU 265 CO 0.34 0.24 0.76 0.00 -0.00 0.00 0.00 177.39 178.73 2roq n LEU 266 N -1.50 0.43 -0.03 1.47 -0.00 -0.66 -0.29 117.00 116.43 2roq n LEU 266 Ca 0.04 0.66 0.04 0.00 -0.00 0.00 0.00 56.01 56.75 2roq n LEU 266 Cb 0.33 -0.68 -0.15 0.00 -0.00 0.00 0.00 43.42 42.93 2roq n LEU 266 CO 0.42 -0.71 -0.78 1.07 -0.00 0.00 0.00 177.39 177.39 2roq n THR 267 N -2.04 0.57 -0.03 1.47 5.66 -1.26 -4.40 114.28 114.25 2roq n THR 267 Ca 0.00 -0.63 -0.13 0.00 -3.05 0.00 0.00 64.05 60.24 2roq n THR 267 Cb 0.09 -0.23 -0.14 0.00 -1.55 0.00 0.00 70.33 68.49 2roq n THR 267 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2roq n THR 268 N -2.50 1.63 -0.53 1.09 -1.04 -0.45 -4.95 114.28 107.54 2roq n THR 268 Ca -0.13 -0.75 -0.30 0.00 -2.04 0.00 0.00 64.05 60.83 2roq n THR 268 Cb 0.77 -1.20 0.28 0.00 -1.82 0.00 0.00 70.33 68.36 2roq n THR 268 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roq s ALA 269 N -2.57 -0.47 0.02 2.41 0.00 0.60 -4.99 121.76 116.76 2roq s ALA 269 Ca -0.12 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 2roq s ALA 269 Cb 0.07 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 2roq s ALA 269 CO 0.80 -4.33 0.49 -1.01 0.00 0.00 0.00 175.76 171.71 2roq s HIS 270 N -2.43 3.74 -0.29 0.00 3.76 -1.26 -5.00 115.29 113.81 2roq s HIS 270 Ca 0.69 1.11 -0.13 0.00 -0.15 0.00 0.00 55.06 56.58 2roq s HIS 270 Cb -0.14 -2.41 0.12 0.00 1.11 0.00 0.00 32.58 31.26 2roq s HIS 270 CO 0.58 0.57 0.76 -1.54 -0.85 0.00 0.00 174.74 174.26 2roq s SER 271 N -0.90 -0.93 -0.06 1.40 1.04 -1.26 -4.85 113.70 108.13 2roq s SER 271 Ca 0.26 1.34 0.04 0.00 0.48 0.00 0.00 55.95 58.08 2roq s SER 271 Cb -0.18 1.83 -0.00 0.00 0.10 0.00 0.00 66.02 67.77 2roq s SER 271 CO 0.16 -0.20 -0.20 -0.69 0.98 0.00 0.00 173.24 173.29 2roq s VAL 272 N 2.32 1.71 0.74 5.02 1.01 -1.26 -4.93 120.40 125.01 2roq s VAL 272 Ca -0.07 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 2roq s VAL 272 Cb -0.08 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.87 2roq s VAL 272 CO -0.19 0.48 1.10 -2.16 0.00 0.00 0.00 175.10 174.33 2roq s PRO 273 N 0.14 2.39 0.09 2.72 0.04 -1.26 -3.61 135.00 135.51 2roq s PRO 273 Ca -0.09 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.23 2roq s PRO 273 Cb -0.14 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2roq s PRO 273 CO 0.04 -1.55 -0.12 0.12 0.04 0.00 0.00 177.00 175.54 2roq s PHE 274 N -2.75 1.11 -0.71 0.56 5.36 -1.26 -4.84 117.98 115.46 2roq s PHE 274 Ca 0.63 -0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 56.03 2roq s PHE 274 Cb -0.18 -0.61 0.18 0.00 -0.34 0.00 0.00 43.02 42.06 2roq s PHE 274 CO 0.52 0.03 0.54 -0.51 -1.46 0.00 0.00 175.22 174.34 2roq s ASP 275 N -2.14 5.31 0.00 6.13 1.01 -1.25 -4.00 116.67 121.72 2roq s ASP 275 Ca 0.02 -3.31 0.00 0.00 0.71 0.00 0.00 52.55 49.97 2roq s ASP 275 Cb -0.06 -1.81 0.00 0.00 1.01 0.00 0.00 42.92 42.05 2roq s ASP 275 CO 0.01 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.75 2roq n GLY 276 N 2.83 5.09 2.92 0.21 0.00 -1.26 -4.85 105.19 110.14 2roq n GLY 276 Ca 0.14 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 2roq n GLY 276 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2roq s LYS 277 N 4.61 1.17 0.15 1.61 2.20 -1.26 -3.37 119.74 124.86 2roq s LYS 277 Ca 0.00 -0.20 -0.18 0.00 -0.36 0.00 0.00 55.97 55.23 2roq s LYS 277 Cb 0.00 -1.12 0.04 0.00 -1.51 0.00 0.00 37.83 35.24 2roq s LYS 277 CO 0.00 -0.09 0.49 0.00 -0.36 0.00 0.00 175.35 175.39 2roq s ALA 278 N 1.04 -1.14 -0.35 3.13 0.00 -1.23 -3.46 121.76 119.75 2roq s ALA 278 Ca -0.09 0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.74 2roq s ALA 278 Cb -0.14 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2roq s ALA 278 CO -0.00 -0.72 0.66 0.95 0.00 0.00 0.00 175.76 176.65 2roq s THR 279 N -3.80 4.87 -0.01 0.00 -4.23 0.86 -3.46 115.64 109.87 2roq s THR 279 Ca 0.04 0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 61.18 2roq s THR 279 Cb 0.00 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.71 2roq s THR 279 CO -0.10 -0.32 0.10 -0.22 -0.54 0.00 0.00 174.62 173.53 2roq s LEU 280 N 2.76 3.98 0.06 4.79 2.96 -1.19 -0.58 118.68 131.45 2roq s LEU 280 Ca 0.25 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.41 2roq s LEU 280 Cb -0.14 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 2roq s LEU 280 CO 0.15 0.27 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.92 2roq s PHE 281 N -1.21 1.52 -0.16 5.38 0.40 -0.97 -2.94 117.98 120.01 2roq s PHE 281 Ca 0.23 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2roq s PHE 281 Cb -0.12 -0.89 0.01 0.00 0.51 0.00 0.00 43.02 42.53 2roq s PHE 281 CO 0.14 0.09 -0.18 0.14 0.70 0.00 0.00 175.22 176.11 2roq s VAL 282 N -0.95 2.37 -1.25 -0.44 -7.23 -1.15 -2.30 120.40 109.45 2roq s VAL 282 Ca 0.04 -0.87 -0.19 0.00 -1.81 0.00 0.00 61.98 59.15 2roq s VAL 282 Cb -0.09 -1.98 0.06 0.00 0.56 0.00 0.00 36.38 34.93 2roq s VAL 282 CO 0.02 0.53 1.70 0.00 -0.31 0.00 0.00 175.10 177.04 2roq s ALA 283 N 0.93 3.16 0.63 1.32 0.00 -1.26 -3.15 121.76 123.39 2roq s ALA 283 Ca -0.04 -2.78 0.32 0.00 0.00 0.00 0.00 51.96 49.46 2roq s ALA 283 Cb -0.15 -4.63 1.74 0.00 0.00 0.00 0.00 23.12 20.08 2roq s ALA 283 CO -0.03 -3.43 2.04 0.93 0.00 0.00 0.00 175.76 175.27 2roq h GLU 284 N 8.03 0.00 -0.90 0.00 4.39 -0.77 0.25 114.58 125.58 2roq h GLU 284 Ca 0.40 0.00 0.25 0.00 0.34 0.00 0.00 59.36 60.35 2roq h GLU 284 Cb 0.90 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.51 2roq h GLU 284 CO 1.45 0.00 0.64 0.00 -1.16 0.00 0.00 179.01 179.94 2roq h ARG 285 N 0.00 0.05 0.00 2.33 3.08 -1.82 -3.26 114.38 114.75 2roq h ARG 285 Ca 0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2roq h ARG 285 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2roq h ARG 285 CO -0.00 0.03 -0.52 0.25 -1.07 0.00 0.00 179.97 178.66 2roq n THR 286 N -4.30 0.00 -1.66 2.04 -2.24 -0.42 -4.99 114.28 102.71 2roq n THR 286 Ca 0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.54 2roq n THR 286 Cb 0.94 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.78 4.01 0.00 3.22 4.32 0.77 -4.88 117.00 122.66 2roq n LEU 287 Ca 0.00 0.86 0.00 0.00 -0.02 0.00 0.00 56.01 56.85 2roq n LEU 287 Cb 0.26 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 40.55 2roq n LEU 287 CO 0.00 0.11 0.39 0.00 -1.22 0.00 0.00 177.39 176.67 2roq n GLN 288 N 7.52 0.00 -2.66 3.23 6.02 -0.98 -4.57 117.38 125.94 2roq n GLN 288 Ca 0.21 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 2roq n GLN 288 Cb 0.39 -1.28 0.02 0.00 1.02 0.00 0.00 30.24 30.39 2roq n GLN 288 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2roq s GLU 289 N -2.12 0.03 -1.29 -1.09 -1.05 -1.26 -4.96 118.70 106.95 2roq s GLU 289 Ca 0.00 -0.02 -0.06 0.00 -0.15 0.00 0.00 54.97 54.74 2roq s GLU 289 Cb 0.00 0.00 0.04 0.00 -0.44 0.00 0.00 34.13 33.73 2roq s GLU 289 CO 0.00 -0.03 0.40 0.41 0.95 0.00 0.00 175.26 176.98 2roq n GLY 290 N 3.14 -0.50 3.66 -3.83 0.00 -1.26 -4.87 105.19 101.54 2roq n GLY 290 Ca 0.06 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.72 4.19 -0.06 1.61 -1.94 -1.25 -4.96 119.30 111.18 2roq s MET 291 Ca 0.29 2.12 -0.31 0.00 -1.71 0.00 0.00 55.69 56.08 2roq s MET 291 Cb -0.15 -3.91 0.11 0.00 2.01 0.00 0.00 34.83 32.89 2roq s MET 291 CO 0.35 -0.81 1.00 -1.54 -0.01 0.00 0.00 175.02 174.01 2roq s SER 292 N 3.04 -0.28 0.52 3.03 1.04 -1.26 -4.48 113.70 115.31 2roq s SER 292 Ca 0.71 -0.02 0.33 0.00 0.48 0.00 0.00 55.95 57.45 2roq s SER 292 Cb -0.32 0.31 1.36 0.00 0.10 0.00 0.00 66.02 67.47 2roq s SER 292 CO 0.28 -0.50 1.97 1.55 0.98 0.00 0.00 173.24 177.51 2roq h PRO 293 N 2.00 0.00 -4.68 4.02 0.13 -2.00 -3.44 132.00 128.03 2roq h PRO 293 Ca -0.18 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.64 2roq h PRO 293 Cb 1.22 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 2roq h PRO 293 CO 0.28 0.00 -0.75 -2.00 -0.23 0.00 0.00 178.00 175.30 2roq s GLU 294 N -3.65 0.58 0.04 0.86 -6.30 -1.26 -5.16 118.70 103.82 2roq s GLU 294 Ca 0.01 -0.70 0.04 0.00 -2.50 0.00 0.00 54.97 51.82 2roq s GLU 294 Cb 0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 34.13 33.77 2roq s GLU 294 CO 0.52 0.09 -0.12 -0.98 0.02 0.00 0.00 175.26 174.79 2roq s ARG 295 N -1.36 0.76 -0.32 4.30 1.70 -1.26 -4.96 118.95 117.81 2roq s ARG 295 Ca -0.06 -0.74 -0.05 0.00 -0.47 0.00 0.00 55.73 54.40 2roq s ARG 295 Cb -0.09 -0.72 0.01 0.00 -0.57 0.00 0.00 34.95 33.58 2roq s ARG 295 CO 0.01 0.17 0.17 0.00 -1.08 0.00 0.00 175.30 174.56 2roq n ALA 296 N 1.77 -3.23 -3.60 7.88 0.00 -1.26 -5.06 120.51 117.01 2roq n ALA 296 Ca -0.19 0.63 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 2roq n ALA 296 Cb 0.55 -1.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 2roq n ALA 296 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2roq s TRP 297 N -1.83 -0.13 -0.66 0.00 -0.00 -1.26 -5.09 118.94 109.97 2roq s TRP 297 Ca 0.07 0.05 0.05 0.00 -0.00 0.00 0.00 56.10 56.28 2roq s TRP 297 Cb -0.02 0.53 0.26 0.00 -0.00 0.00 0.00 33.47 34.24 2roq s TRP 297 CO 0.73 -0.28 0.81 -1.13 -0.00 0.00 0.00 176.95 177.08 2roq n SER 298 N -0.21 3.99 0.15 5.86 3.41 -1.26 -4.87 113.62 120.69 2roq n SER 298 Ca -0.03 -3.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.11 2roq n SER 298 Cb 0.60 -0.69 0.26 0.00 -0.26 0.00 0.00 64.21 64.11 2roq n SER 298 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2roq h PRO 299 N 4.12 0.05 0.00 4.33 0.13 -2.01 -3.43 132.00 135.18 2roq h PRO 299 Ca 0.20 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2roq h PRO 299 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2roq h PRO 299 CO 0.86 0.52 0.00 0.91 -0.23 0.00 0.00 178.00 180.06 2roq n TRP 300 N -3.97 0.00 -2.73 1.56 8.01 -1.26 -5.04 117.44 114.02 2roq n TRP 300 Ca -0.02 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.81 2roq n TRP 300 Cb 0.50 0.22 -0.06 0.00 -2.01 0.00 0.00 31.31 29.96 2roq n TRP 300 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2roq s ILE 301 N -0.69 4.12 -0.03 -0.99 1.09 -1.26 -3.97 121.20 119.47 2roq s ILE 301 Ca 0.00 1.62 0.16 0.00 -1.10 0.00 0.00 60.65 61.33 2roq s ILE 301 Cb 0.00 -3.84 -0.24 0.00 -1.06 0.00 0.00 42.46 37.32 2roq s ILE 301 CO 0.00 0.01 0.32 0.00 -0.10 0.00 0.00 174.94 175.17 2roq n ALA 302 N 0.14 2.51 -3.61 9.38 0.00 -1.25 -4.61 120.51 123.06 2roq n ALA 302 Ca 0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 2roq n ALA 302 Cb 0.51 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 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 -3.04 0.55 0.28 0.00 2.02 -1.22 -5.07 118.70 112.23 2roq s GLU 303 Ca -0.06 1.09 -0.20 0.00 0.02 0.00 0.00 54.97 55.82 2roq s GLU 303 Cb 0.10 0.34 0.02 0.00 0.10 0.00 0.00 34.13 34.69 2roq s GLU 303 CO 0.65 -0.14 0.70 -0.48 0.02 0.00 0.00 175.26 176.01 2roq s LEU 304 N 1.98 -0.21 -0.40 1.80 0.05 -1.26 -3.47 118.68 117.17 2roq s LEU 304 Ca -0.08 -0.65 -0.00 0.00 0.05 0.00 0.00 54.13 53.45 2roq s LEU 304 Cb -0.07 2.65 0.11 0.00 -2.05 0.00 0.00 46.19 46.84 2roq s LEU 304 CO -0.18 -1.34 0.16 -0.62 -0.55 0.00 0.00 176.35 173.82 2roq s ASP 305 N -2.93 5.05 0.14 1.48 -1.08 -1.22 -4.96 116.67 113.14 2roq s ASP 305 Ca 0.12 -2.15 -0.28 0.00 -0.52 0.00 0.00 52.55 49.72 2roq s ASP 305 Cb -0.06 -1.75 -0.07 0.00 -1.46 0.00 0.00 42.92 39.58 2roq s ASP 305 CO 0.07 -0.47 0.90 -0.63 0.52 0.00 0.00 175.17 175.56 2roq s ILE 306 N 0.95 4.43 -0.21 4.11 1.01 -1.25 -3.16 121.20 127.07 2roq s ILE 306 Ca 0.10 1.95 0.01 0.00 0.00 0.00 0.00 60.65 62.71 2roq s ILE 306 Cb -0.21 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.04 2roq s ILE 306 CO -0.05 0.39 -0.12 -0.31 0.00 0.00 0.00 174.94 174.85 2roq s TYR 307 N -0.43 2.71 -0.47 3.97 1.51 -1.15 -5.03 117.35 118.47 2roq s TYR 307 Ca 0.43 -1.82 -0.29 0.00 -1.01 0.00 0.00 57.07 54.38 2roq s TYR 307 Cb -0.23 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2roq s TYR 307 CO 0.29 -0.79 1.31 -0.98 -1.11 0.00 0.00 175.55 174.26 2roq s ARG 308 N 1.30 3.57 -0.10 -0.62 3.03 -1.26 -2.95 118.95 121.92 2roq s ARG 308 Ca -0.03 0.69 -0.12 0.00 2.03 0.00 0.00 55.73 58.30 2roq s ARG 308 Cb -0.17 -4.00 0.03 0.00 -1.03 0.00 0.00 34.95 29.78 2roq s ARG 308 CO -0.08 -1.58 0.31 1.14 -1.13 0.00 0.00 175.30 173.97 2roq s GLN 309 N 4.88 0.44 -0.88 3.89 -2.07 -1.19 -5.00 119.66 119.73 2roq s GLN 309 Ca 0.54 0.29 -0.23 0.00 -1.82 0.00 0.00 55.36 54.15 2roq s GLN 309 Cb -0.11 0.21 0.07 0.00 -1.09 0.00 0.00 33.01 32.09 2roq s GLN 309 CO 0.31 -0.08 1.25 -0.51 -1.32 0.00 0.00 175.29 174.95 2roq s ASP 310 N -0.18 6.41 -0.18 12.60 1.11 -1.26 -0.13 116.67 135.03 2roq s ASP 310 Ca -0.03 -1.32 -0.06 0.00 0.18 0.00 0.00 52.55 51.32 2roq s ASP 310 Cb -0.03 -2.50 0.08 0.00 1.07 0.00 0.00 42.92 41.54 2roq s ASP 310 CO 0.01 -1.45 0.37 0.00 1.18 0.00 0.00 175.17 175.28 2roq s ALA 312 N 2.55 3.12 0.54 0.00 0.00 -1.26 -4.40 121.76 122.32 2roq s ALA 312 Ca -0.00 1.00 0.31 0.00 0.00 0.00 0.00 51.96 53.26 2roq s ALA 312 Cb -0.12 -3.40 1.47 0.00 0.00 0.00 0.00 23.12 21.07 2roq s ALA 312 CO -0.12 -0.61 1.90 1.12 0.00 0.00 0.00 175.76 178.06 2roq h HIS 313 N 2.49 0.00 0.00 0.00 2.07 -1.93 0.39 115.15 118.17 2roq h HIS 313 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2roq h HIS 313 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2roq h HIS 313 CO 0.54 0.00 -1.74 1.33 -3.07 0.00 0.00 177.93 174.99 2roq n VAL 314 N -4.24 0.00 -1.22 6.12 0.24 -1.26 -4.28 118.33 113.69 2roq n VAL 314 Ca 0.17 -0.38 -0.04 0.00 -2.04 0.00 0.00 64.34 62.05 2roq n VAL 314 Cb 0.90 0.25 0.23 0.00 -1.47 0.00 0.00 33.84 33.75 2roq n VAL 314 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2roq n ASP 315 N -2.06 3.51 -0.02 -1.34 2.03 0.75 -4.37 116.55 115.06 2roq n ASP 315 Ca -0.02 -3.45 0.03 0.00 0.52 0.00 0.00 54.79 51.87 2roq n ASP 315 Cb 0.50 -0.67 -0.08 0.00 -0.72 0.00 0.00 41.12 40.16 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 -0.77 0.17 0.74 5.18 3.06 0.10 -4.20 119.36 123.64 2roq n ILE 316 Ca 0.36 -0.28 0.09 0.00 -2.50 0.00 0.00 62.75 60.42 2roq n ILE 316 Cb 1.17 -0.00 0.42 0.00 0.54 0.00 0.00 39.64 41.77 2roq n ILE 316 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2roq n ILE 317 N -1.99 0.61 -1.33 9.51 2.08 -1.26 -4.50 119.36 122.49 2roq n ILE 317 Ca -0.05 0.15 -0.35 0.00 0.56 0.00 0.00 62.75 63.06 2roq n ILE 317 Cb 0.41 -0.85 0.09 0.00 -0.75 0.00 0.00 39.64 38.54 2roq n ILE 317 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2roq n SER 318 N -1.39 0.51 0.00 4.38 7.64 -1.26 -4.85 113.62 118.64 2roq n SER 318 Ca 0.06 0.65 0.07 0.00 1.01 0.00 0.00 58.87 60.67 2roq n SER 318 Cb 0.18 -1.42 0.39 0.00 -1.01 0.00 0.00 64.21 62.35 2roq n SER 318 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2roq n PRO 319 N -1.99 0.27 0.04 1.43 -0.04 -1.26 -3.00 135.00 130.43 2roq n PRO 319 Ca 0.13 0.12 -0.21 0.00 -0.04 0.00 0.00 63.50 63.50 2roq n PRO 319 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 2roq n PRO 319 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2roq h GLY 320 N 2.43 0.33 1.34 0.55 0.00 -1.91 -2.81 103.07 102.98 2roq h GLY 320 Ca 0.00 -0.84 -0.24 0.00 0.00 0.00 0.00 47.33 46.26 2roq h GLY 320 CO 0.00 0.73 -0.91 -0.84 0.00 0.00 0.00 176.54 175.52 2roq h THR 321 N -0.34 1.32 -0.26 4.70 2.02 -1.79 -2.13 112.91 116.43 2roq h THR 321 Ca -0.20 -2.21 -0.06 0.00 0.77 0.00 0.00 66.41 64.71 2roq h THR 321 Cb 1.70 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 70.35 2roq h THR 321 CO 0.12 0.68 -0.06 -0.26 0.37 0.00 0.00 175.52 176.37 2roq h PHE 322 N 0.38 0.56 0.00 3.16 -1.00 -1.70 -2.08 116.94 116.26 2roq h PHE 322 Ca -0.08 -0.12 -0.06 0.00 2.81 0.00 0.00 57.97 60.52 2roq h PHE 322 Cb 1.54 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.96 2roq h PHE 322 CO 0.08 0.71 -0.28 1.05 -1.61 0.00 0.00 178.31 178.26 2roq h GLU 323 N 0.25 0.00 -0.16 1.51 -0.00 -1.57 -3.04 114.58 111.58 2roq h GLU 323 Ca 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.27 2roq h GLU 323 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.28 2roq h GLU 323 CO 0.02 0.28 -0.49 -0.22 -0.00 0.00 0.00 179.01 178.60 2roq h LYS 324 N 0.00 0.62 -2.47 1.06 3.64 -1.18 -3.32 116.57 114.92 2roq h LYS 324 Ca -0.00 -0.45 -0.80 0.00 -1.27 0.00 0.00 60.65 58.13 2roq h LYS 324 Cb 0.71 0.08 -0.25 0.00 -0.41 0.00 0.00 32.23 32.35 2roq h LYS 324 CO 0.04 1.07 1.16 0.44 -2.27 0.00 0.00 179.45 179.89 2roq n ILE 325 N -4.19 5.81 0.00 2.00 -5.35 -0.80 -4.74 119.36 112.09 2roq n ILE 325 Ca -0.07 -5.75 0.00 0.00 -0.27 0.00 0.00 62.75 56.66 2roq n ILE 325 Cb 0.59 -1.75 0.00 0.00 -1.74 0.00 0.00 39.64 36.75 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 0.52 -0.50 0.00 3.28 0.00 -1.24 -3.81 105.19 103.43 2roq n GLY 326 Ca 0.44 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.25 0.11 -0.00 1.61 -0.04 -1.26 -1.63 135.00 131.53 2roq n PRO 327 Ca 0.00 0.20 -0.05 0.00 -0.04 0.00 0.00 63.50 63.61 2roq n PRO 327 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.39 1.43 -0.04 0.52 -6.64 -1.26 -3.52 119.36 108.45 2roq n ILE 328 Ca 0.05 -0.76 -0.08 0.00 -1.77 0.00 0.00 62.75 60.20 2roq n ILE 328 Cb 0.14 -0.90 -0.14 0.00 -1.44 0.00 0.00 39.64 37.30 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 -2.97 1.45 -0.10 7.28 0.00 -0.99 -3.11 119.36 120.92 2roq n ILE 329 Ca -0.15 -0.80 -0.13 0.00 0.00 0.00 0.00 62.75 61.67 2roq n ILE 329 Cb 0.97 -0.78 -0.04 0.00 0.00 0.00 0.00 39.64 39.80 2roq n ILE 329 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2roq h ARG 330 N 0.00 0.77 0.02 9.51 2.43 -1.48 -0.36 114.38 125.27 2roq h ARG 330 Ca -0.36 -0.40 -0.17 0.00 -0.81 0.00 0.00 59.98 58.24 2roq h ARG 330 Cb 2.03 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 31.61 2roq h ARG 330 CO 0.06 1.03 -0.67 0.00 -1.51 0.00 0.00 179.97 178.87 2roq h ALA 331 N 0.73 0.05 -0.44 2.80 0.00 -1.74 -2.13 119.26 118.54 2roq h ALA 331 Ca 0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 2roq h ALA 331 Cb 0.88 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2roq h ALA 331 CO 0.08 0.38 0.16 1.15 0.00 0.00 0.00 179.25 181.02 2roq h THR 332 N -0.10 1.21 0.00 0.00 2.02 -1.60 0.27 112.91 114.71 2roq h THR 332 Ca -0.09 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 2roq h THR 332 Cb 1.39 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2roq h THR 332 CO 0.13 0.24 -0.38 0.25 0.37 0.00 0.00 175.52 176.13 2roq h LEU 333 N 0.57 0.00 0.00 2.58 7.12 -1.15 -0.35 115.31 124.07 2roq h LEU 333 Ca 0.14 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.14 2roq h LEU 333 Cb 0.22 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.35 2roq h LEU 333 CO -0.01 0.38 -0.57 0.78 -0.13 0.00 0.00 178.44 178.89 2roq h ASN 334 N 0.00 0.00 0.57 1.25 2.35 -0.97 -2.14 115.58 116.64 2roq h ASN 334 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 2roq h ASN 334 Cb 0.84 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 2roq h ASN 334 CO 0.05 0.04 -1.52 -2.11 -1.65 0.00 0.00 177.43 172.24 2roq n ARG 335 N -2.89 0.63 0.02 0.81 -4.01 0.91 -4.15 116.66 107.99 2roq n ARG 335 Ca 0.01 0.10 0.07 0.00 -1.04 0.00 0.00 57.85 56.99 2roq n ARG 335 Cb 0.56 -1.73 -0.10 0.00 -3.04 0.00 0.00 32.46 28.15 2roq n ARG 335 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 2roq n LEU 336 N -2.72 0.44 -0.26 2.89 -0.00 -0.17 -4.19 117.00 113.00 2roq n LEU 336 Ca -0.09 0.18 0.26 0.00 -0.00 0.00 0.00 56.01 56.36 2roq n LEU 336 Cb 0.76 0.05 0.63 0.00 -0.00 0.00 0.00 43.42 44.86 2roq n LEU 336 CO 0.43 0.02 1.25 1.05 -0.00 0.00 0.00 177.39 180.14 2roq h GLU 337 N 0.00 0.19 -3.58 1.47 -0.00 -1.54 -3.43 114.58 107.69 2roq h GLU 337 Ca -0.09 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.36 59.19 2roq h GLU 337 Cb 1.25 -0.04 -0.12 0.00 -0.00 0.00 0.00 28.75 29.83 2roq h GLU 337 CO 0.01 0.12 -0.17 -1.58 -0.00 0.00 0.00 179.01 177.39 2roq s HIS 338 N -5.20 0.03 0.41 2.06 5.04 -1.26 -4.99 115.29 111.38 2roq s HIS 338 Ca -0.07 -0.39 0.00 0.00 -1.54 0.00 0.00 55.06 53.06 2roq s HIS 338 Cb 0.23 0.15 0.00 0.00 0.04 0.00 0.00 32.58 33.00 2roq s HIS 338 CO 0.79 -0.72 0.00 0.72 -2.34 0.00 0.00 174.74 173.19 2roq n HIS 339 N -0.21 -3.23 0.01 3.88 8.25 -1.26 -4.86 115.22 117.79 2roq n HIS 339 Ca -0.12 1.69 0.00 0.00 -0.26 0.00 0.00 57.72 59.03 2roq n HIS 339 Cb 0.63 -2.94 0.00 0.00 1.12 0.00 0.00 29.99 28.80 2roq n HIS 339 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2roq n HIS 340 N -4.05 -0.00 -3.30 4.41 -0.00 -1.26 -4.82 115.22 106.20 2roq n HIS 340 Ca -0.03 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.72 2roq n HIS 340 Cb 0.58 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.37 2roq n HIS 340 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2roq s HIS 341 N -1.11 3.16 0.03 1.57 3.76 -1.26 -4.85 115.29 116.60 2roq s HIS 341 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2roq s HIS 341 Cb 0.00 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.72 2roq s HIS 341 CO 0.00 -0.74 0.00 1.58 -0.85 0.00 0.00 174.74 174.73 2roq n HIS 342 N 5.66 -0.09 0.41 1.40 -0.00 -1.26 -5.27 115.22 116.07 2roq n HIS 342 Ca -0.07 0.02 0.05 0.00 -0.00 0.00 0.00 57.72 57.72 2roq n HIS 342 Cb 0.47 0.07 0.04 0.00 -0.00 0.00 0.00 29.99 30.57 2roq n HIS 342 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92