#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq s LEU 2 N 0.00 2.52 0.16 4.03 1.43 -1.26 -5.13 118.68 120.43 2roq s LEU 2 Ca 0.00 -0.98 -0.31 0.00 -1.03 0.00 0.00 54.13 51.81 2roq s LEU 2 Cb 0.00 -0.44 -0.08 0.00 0.03 0.00 0.00 46.19 45.70 2roq s LEU 2 CO 0.00 -0.27 1.33 -2.16 0.23 0.00 0.00 176.35 175.48 2roq s PRO 3 N -3.57 4.37 0.07 1.29 0.04 -1.26 -5.03 135.00 130.91 2roq s PRO 3 Ca 0.17 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.30 2roq s PRO 3 Cb 0.01 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2roq s PRO 3 CO 0.02 -0.32 -0.09 -1.21 0.04 0.00 0.00 177.00 175.44 2roq s GLU 4 N 0.44 2.27 -0.48 4.56 2.02 -1.26 -5.09 118.70 121.16 2roq s GLU 4 Ca 0.60 -0.93 -0.20 0.00 0.02 0.00 0.00 54.97 54.46 2roq s GLU 4 Cb -0.36 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.55 2roq s GLU 4 CO 0.34 0.54 0.64 -0.51 0.02 0.00 0.00 175.26 176.29 2roq s LEU 5 N -1.95 4.71 -0.46 1.80 1.43 -1.26 -4.99 118.68 117.96 2roq s LEU 5 Ca 0.20 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2roq s LEU 5 Cb -0.11 -2.58 0.14 0.00 0.03 0.00 0.00 46.19 43.67 2roq s LEU 5 CO 0.12 -0.85 0.28 -0.54 0.23 0.00 0.00 176.35 175.59 2roq s LYS 6 N 2.77 1.32 -0.05 1.70 1.02 -1.26 -5.08 119.74 120.16 2roq s LYS 6 Ca 0.19 -2.12 -0.02 0.00 0.02 0.00 0.00 55.97 54.04 2roq s LYS 6 Cb -0.16 -2.27 0.03 0.00 -0.52 0.00 0.00 37.83 34.91 2roq s LYS 6 CO 0.15 -1.21 0.10 0.00 -0.92 0.00 0.00 175.35 173.47 2roq s ALA 7 N 0.17 -0.12 0.22 5.17 0.00 -1.26 -4.85 121.76 121.09 2roq s ALA 7 Ca 0.20 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 2roq s ALA 7 Cb -0.18 -0.36 0.21 0.00 0.00 0.00 0.00 23.12 22.78 2roq s ALA 7 CO -0.04 -0.13 1.70 0.37 0.00 0.00 0.00 175.76 177.66 2roq h GLN 8 N 7.22 0.92 0.00 0.00 5.75 -1.97 -3.47 115.11 123.57 2roq h GLN 8 Ca -0.44 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 57.79 2roq h GLN 8 Cb 1.13 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.59 2roq h GLN 8 CO 0.45 0.92 0.00 0.00 -2.65 0.00 0.00 178.83 177.55 2roq n ALA 9 N -2.48 0.00 -0.03 3.38 0.00 -1.26 -5.00 120.51 115.12 2roq n ALA 9 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2roq n ALA 9 Cb 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.69 2roq n ALA 9 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2roq h PRO 10 N 0.00 0.12 0.00 0.00 0.13 -2.02 -3.48 132.00 126.76 2roq h PRO 10 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2roq h PRO 10 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2roq h PRO 10 CO 0.00 0.57 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 2roq n GLY 11 N 0.21 0.59 3.75 1.56 0.00 -1.26 -5.00 105.19 105.04 2roq n GLY 11 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2roq n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2roq s ARG 12 N 0.00 1.79 0.43 1.61 1.70 -1.26 -4.36 118.95 118.86 2roq s ARG 12 Ca 0.00 0.88 0.00 0.00 -0.47 0.00 0.00 55.73 56.14 2roq s ARG 12 Cb 0.00 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.51 2roq s ARG 12 CO 0.00 -1.89 0.00 0.00 -1.08 0.00 0.00 175.30 172.33 2roq n ALA 13 N -3.65 -2.05 -1.84 7.88 0.00 -1.26 -4.78 120.51 114.81 2roq n ALA 13 Ca 0.08 0.49 -0.41 0.00 0.00 0.00 0.00 53.44 53.60 2roq n ALA 13 Cb 0.55 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 2roq n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2roq s PRO 14 N -4.52 4.44 0.00 0.00 0.04 -1.26 -4.69 135.00 129.01 2roq s PRO 14 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2roq s PRO 14 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2roq s PRO 14 CO 0.00 -0.10 0.00 1.17 0.04 0.00 0.00 177.00 178.11 2roq n LYS 15 N 1.48 0.00 0.00 4.56 3.00 -1.26 -4.94 118.16 121.00 2roq n LYS 15 Ca 0.02 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.47 2roq n LYS 15 Cb 0.43 0.00 0.87 0.00 0.00 0.00 0.00 35.03 36.33 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2roq n ALA 16 N 0.00 2.62 -0.02 3.14 0.00 -1.26 -4.92 120.51 120.06 2roq n ALA 16 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2roq n ALA 16 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 0.87 1.54 0.29 0.00 0.00 -1.26 -4.11 105.19 102.53 2roq n GLY 17 Ca 0.22 0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.42 2roq n GLY 17 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2roq h SER 18 N 0.00 0.00 0.47 1.61 0.02 -1.93 -2.40 113.55 111.33 2roq h SER 18 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 2roq h SER 18 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2roq h SER 18 CO 0.00 0.06 -1.58 -0.08 -1.14 0.00 0.00 176.83 174.09 2roq h GLU 19 N 0.00 0.16 -0.85 3.45 4.22 -1.89 -3.35 114.58 116.32 2roq h GLU 19 Ca -0.00 -0.28 0.16 0.00 0.08 0.00 0.00 59.36 59.32 2roq h GLU 19 Cb 0.28 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 2roq h GLU 19 CO 0.01 0.96 0.42 1.15 -2.18 0.00 0.00 179.01 179.37 2roq h THR 20 N 0.04 0.68 0.00 0.32 2.02 -1.75 0.29 112.91 114.52 2roq h THR 20 Ca -0.25 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 2roq h THR 20 Cb 1.99 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2roq h THR 20 CO 0.13 0.10 -0.26 0.16 0.37 0.00 0.00 175.52 176.03 2roq h ILE 21 N 0.57 0.97 0.23 3.11 3.07 -1.69 -2.14 117.51 121.64 2roq h ILE 21 Ca 0.48 -0.94 -0.01 0.00 1.55 0.00 0.00 64.86 65.93 2roq h ILE 21 Cb 0.72 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 2roq h ILE 21 CO -0.39 0.25 -0.11 0.40 -1.05 0.00 0.00 178.15 177.25 2roq h ILE 22 N 0.00 0.75 -0.98 0.16 1.08 -0.60 -2.16 117.51 115.77 2roq h ILE 22 Ca -0.00 -0.88 0.03 0.00 -0.39 0.00 0.00 64.86 63.62 2roq h ILE 22 Cb 0.52 1.19 -0.06 0.00 -3.07 0.00 0.00 36.82 35.40 2roq h ILE 22 CO 0.03 0.17 0.64 0.00 -0.69 0.00 0.00 178.15 178.30 2roq h ALA 23 N -0.29 1.36 -0.58 1.87 0.00 -1.30 -2.09 119.26 118.22 2roq h ALA 23 Ca -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2roq h ALA 23 Cb 0.51 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2roq h ALA 23 CO 0.05 0.55 0.24 0.00 0.00 0.00 0.00 179.25 180.10 2roq h ALA 24 N 1.42 0.75 0.00 0.00 0.00 -1.43 -2.08 119.26 117.92 2roq h ALA 24 Ca 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2roq h ALA 24 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2roq h ALA 24 CO -0.11 0.35 -0.18 0.00 0.00 0.00 0.00 179.25 179.30 2roq h ALA 25 N 1.09 1.57 0.06 0.00 0.00 -0.81 0.13 119.26 121.30 2roq h ALA 25 Ca 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2roq h ALA 25 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2roq h ALA 25 CO -0.02 0.23 -0.03 0.74 0.00 0.00 0.00 179.25 180.17 2roq h PHE 26 N 0.00 -0.08 0.00 0.00 0.04 -0.85 -2.16 116.94 113.89 2roq h PHE 26 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2roq h PHE 26 Cb 0.35 0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2roq h PHE 26 CO 0.00 0.47 0.00 0.45 -0.60 0.00 0.00 178.31 178.63 2roq n SER 27 N -4.85 0.49 0.02 2.17 2.88 -0.83 0.03 113.62 113.53 2roq n SER 27 Ca -0.08 0.58 -0.06 0.00 -1.33 0.00 0.00 58.87 57.97 2roq n SER 27 Cb 0.29 -0.70 -0.11 0.00 -0.75 0.00 0.00 64.21 62.94 2roq n SER 27 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2roq h SER 28 N 0.00 0.00 0.00 -3.46 0.02 -0.71 0.43 113.55 109.82 2roq h SER 28 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 2roq h SER 28 Cb 0.49 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 2roq h SER 28 CO 0.00 0.90 -2.43 0.18 -1.14 0.00 0.00 176.83 174.35 2roq n LEU 29 N -3.13 2.72 0.10 5.07 4.77 -0.82 -4.33 117.00 121.39 2roq n LEU 29 Ca -0.09 -0.03 0.10 0.00 -0.03 0.00 0.00 56.01 55.96 2roq n LEU 29 Cb 0.97 -0.85 0.44 0.00 -2.33 0.00 0.00 43.42 41.65 2roq n LEU 29 CO 0.45 0.83 0.80 0.18 -1.33 0.00 0.00 177.39 178.33 2roq n LEU 30 N -3.45 0.47 -0.58 2.23 4.77 0.10 -4.87 117.00 115.67 2roq n LEU 30 Ca -0.46 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2roq n LEU 30 Cb 0.94 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2roq n LEU 30 CO 0.20 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.32 2roq n GLY 31 N -0.28 0.78 1.67 -0.72 0.00 -1.20 -4.81 105.19 100.62 2roq n GLY 31 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2roq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roq n ASP 33 N 1.32 0.00 -4.82 0.00 8.00 -1.26 -5.04 116.55 114.75 2roq n ASP 33 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 2roq n ASP 33 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2roq s VAL 34 N 0.00 4.48 0.00 2.53 1.01 -1.26 -4.96 120.40 122.20 2roq s VAL 34 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.35 2roq s VAL 34 Cb 0.00 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2roq s VAL 34 CO 0.00 -0.03 0.71 0.00 0.00 0.00 0.00 175.10 175.78 2roq n GLN 35 N 0.08 0.00 -3.37 2.72 10.64 -1.26 -4.84 117.38 121.35 2roq n GLN 35 Ca 0.02 -0.43 -0.11 0.00 -1.83 0.00 0.00 57.00 54.65 2roq n GLN 35 Cb 0.52 -0.17 -0.02 0.00 -0.86 0.00 0.00 30.24 29.71 2roq n GLN 35 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 2roq n ASP 36 N 0.01 -1.03 -0.00 2.61 5.68 -1.26 -4.29 116.55 118.27 2roq n ASP 36 Ca -0.01 -2.42 0.03 0.00 -0.50 0.00 0.00 54.79 51.89 2roq n ASP 36 Cb 0.59 1.92 -0.04 0.00 -1.14 0.00 0.00 41.12 42.45 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 -1.27 2.58 -0.63 2.12 0.00 -1.26 -4.52 120.51 117.53 2roq n ALA 37 Ca -0.10 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 2roq n ALA 37 Cb 0.44 -0.23 0.13 0.00 0.00 0.00 0.00 19.45 19.80 2roq n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2roq n ASP 38 N -1.39 3.55 -4.78 0.00 5.75 -1.26 -1.46 116.55 116.96 2roq n ASP 38 Ca 0.00 -3.18 -0.36 0.00 -0.01 0.00 0.00 54.79 51.24 2roq n ASP 38 Cb 0.13 -0.75 -0.07 0.00 -1.03 0.00 0.00 41.12 39.40 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2roq s ALA 39 N -2.41 3.69 -0.06 2.12 0.00 -1.26 -4.93 121.76 118.91 2roq s ALA 39 Ca 0.42 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 2roq s ALA 39 Cb 0.35 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2roq s ALA 39 CO 0.08 0.27 0.59 -0.51 0.00 0.00 0.00 175.76 176.19 2roq s ASP 40 N -0.10 6.89 0.30 0.00 1.11 -1.26 -3.36 116.67 120.25 2roq s ASP 40 Ca 0.16 1.06 0.01 0.00 0.18 0.00 0.00 52.55 53.96 2roq s ASP 40 Cb -0.13 -2.35 0.73 0.00 1.07 0.00 0.00 42.92 42.24 2roq s ASP 40 CO 0.04 0.01 1.59 0.15 1.18 0.00 0.00 175.17 178.13 2roq h PHE 41 N 6.30 0.01 0.16 4.23 3.04 -1.88 0.35 116.94 129.16 2roq h PHE 41 Ca -0.43 0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.60 2roq h PHE 41 Cb 1.19 0.15 -0.04 0.00 2.56 0.00 0.00 35.95 39.81 2roq h PHE 41 CO 0.64 -0.39 -0.48 0.74 -2.02 0.00 0.00 178.31 176.81 2roq h PHE 42 N 0.04 -1.37 0.00 0.41 0.04 -1.88 0.29 116.94 114.47 2roq h PHE 42 Ca 0.58 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.38 2roq h PHE 42 Cb 1.19 0.58 0.00 0.00 2.20 0.00 0.00 35.95 39.92 2roq h PHE 42 CO -0.45 -0.55 0.00 0.00 -0.60 0.00 0.00 178.31 176.71 2roq n ALA 43 N -2.86 1.48 0.09 2.45 0.00 -0.06 -1.85 120.51 119.75 2roq n ALA 43 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2roq n ALA 43 Cb 0.38 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 2roq n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2roq h LEU 44 N 0.00 0.00 0.00 0.00 3.38 0.16 -3.48 115.31 115.37 2roq h LEU 44 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2roq h LEU 44 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2roq h LEU 44 CO 0.00 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2roq n GLY 45 N 1.31 1.16 3.85 0.83 0.00 0.81 -4.96 105.19 108.19 2roq n GLY 45 Ca -0.03 0.00 -0.37 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 2.21 0.11 -0.02 0.00 0.07 -4.84 107.32 102.85 2roq s GLY 46 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.16 2roq s GLY 46 CO 0.00 -0.21 0.00 1.57 0.00 0.00 0.00 173.10 174.46 2roq n HIS 47 N 2.15 -2.77 -3.76 1.90 -0.00 -1.26 -4.62 115.22 106.86 2roq n HIS 47 Ca -0.18 0.37 -0.12 0.00 0.46 0.00 0.00 57.72 58.24 2roq n HIS 47 Cb 0.54 1.26 -0.12 0.00 -0.12 0.00 0.00 29.99 31.55 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq s ALA 48 N -1.87 -0.58 -0.28 1.57 0.00 -1.26 -4.81 121.76 114.53 2roq s ALA 48 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2roq s ALA 48 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2roq s ALA 48 CO 0.00 -0.16 0.00 1.28 0.00 0.00 0.00 175.76 176.88 2roq n LEU 49 N 3.62 0.24 0.01 0.00 4.77 -1.26 -4.76 117.00 119.63 2roq n LEU 49 Ca -0.19 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2roq n LEU 49 Cb 0.56 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 2roq n LEU 49 CO 0.16 -0.58 -0.34 0.18 -1.33 0.00 0.00 177.39 175.48 2roq n LEU 50 N -0.30 0.22 0.13 2.23 7.99 -1.26 -4.56 117.00 121.44 2roq n LEU 50 Ca -0.03 0.04 -0.01 0.00 -0.01 0.00 0.00 56.01 56.00 2roq n LEU 50 Cb 0.31 -0.06 0.16 0.00 -0.11 0.00 0.00 43.42 43.72 2roq n LEU 50 CO 0.04 -0.22 0.48 0.00 -1.51 0.00 0.00 177.39 176.18 2roq h ALA 51 N 0.00 0.90 -0.06 -1.18 0.00 -1.87 -2.25 119.26 114.81 2roq h ALA 51 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2roq h ALA 51 Cb 0.69 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2roq h ALA 51 CO 0.00 0.79 -0.06 1.98 0.00 0.00 0.00 179.25 181.96 2roq h MET 52 N 0.00 0.14 -0.21 0.00 -1.53 -1.93 0.28 114.93 111.68 2roq h MET 52 Ca -0.01 -0.08 -0.09 0.00 -3.44 0.00 0.00 59.70 56.09 2roq h MET 52 Cb 1.15 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.19 2roq h MET 52 CO 0.08 0.59 -0.25 0.87 0.14 0.00 0.00 176.91 178.34 2roq h LYS 53 N -0.30 0.40 0.06 0.39 6.56 -1.80 -2.22 116.57 119.66 2roq h LYS 53 Ca 0.01 -0.14 -0.00 0.00 -1.06 0.00 0.00 60.65 59.45 2roq h LYS 53 Cb 0.57 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 2roq h LYS 53 CO 0.01 0.63 -0.03 1.25 -2.06 0.00 0.00 179.45 179.25 2roq h LEU 54 N 0.36 -0.07 -0.38 2.94 6.46 -1.39 -2.14 115.31 121.09 2roq h LEU 54 Ca 0.05 -0.56 0.08 0.00 -0.12 0.00 0.00 57.88 57.34 2roq h LEU 54 Cb 0.64 0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 40.50 2roq h LEU 54 CO 0.05 0.63 -0.19 0.00 -0.62 0.00 0.00 178.44 178.32 2roq h ALA 55 N -0.20 0.10 0.00 1.25 0.00 -0.45 0.24 119.26 120.19 2roq h ALA 55 Ca -0.01 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2roq h ALA 55 Cb 0.62 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2roq h ALA 55 CO 0.01 -0.56 -0.33 0.00 0.00 0.00 0.00 179.25 178.38 2roq h ALA 56 N 1.14 1.40 -0.27 0.00 0.00 -1.52 -2.10 119.26 117.92 2roq h ALA 56 Ca 0.19 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2roq h ALA 56 Cb 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2roq h ALA 56 CO -0.45 0.41 -0.27 0.37 0.00 0.00 0.00 179.25 179.31 2roq h GLN 57 N 0.00 0.65 -0.29 0.00 4.15 -0.25 -2.18 115.11 117.19 2roq h GLN 57 Ca -0.00 -0.35 -0.06 0.00 0.77 0.00 0.00 58.65 59.01 2roq h GLN 57 Cb 0.60 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 2roq h GLN 57 CO 0.04 0.95 -0.07 -0.07 -1.93 0.00 0.00 178.83 177.76 2roq h LEU 58 N 0.38 0.55 -1.81 -2.39 3.38 -0.46 -0.22 115.31 114.74 2roq h LEU 58 Ca 0.04 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2roq h LEU 58 Cb 0.83 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2roq h LEU 58 CO 0.07 0.79 -0.12 0.77 0.09 0.00 0.00 178.44 180.04 2roq h SER 59 N 0.31 0.00 1.30 -0.43 4.64 -1.41 0.39 113.55 118.35 2roq h SER 59 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 2roq h SER 59 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2roq h SER 59 CO 0.03 0.12 -0.71 0.03 -0.87 0.00 0.00 176.83 175.42 2roq h ARG 60 N 0.00 0.00 0.00 4.77 2.47 -1.16 -1.93 114.38 118.53 2roq h ARG 60 Ca -0.00 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.44 2roq h ARG 60 Cb 0.21 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 2roq h ARG 60 CO 0.02 0.05 -1.70 1.04 0.56 0.00 0.00 179.97 179.94 2roq n GLN 61 N -2.86 0.63 0.00 0.04 1.13 -0.11 -3.97 117.38 112.24 2roq n GLN 61 Ca 0.00 0.28 0.12 0.00 -1.94 0.00 0.00 57.00 55.47 2roq n GLN 61 Cb 0.58 -1.79 0.26 0.00 0.11 0.00 0.00 30.24 29.40 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 -3.02 0.00 -1.41 5.09 0.24 0.13 -4.93 118.33 114.43 2roq n VAL 62 Ca -0.16 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 2roq n VAL 62 Cb 1.03 0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.71 -0.21 -4.61 2.33 0.00 -1.05 -4.98 120.51 111.28 2roq n ALA 63 Ca 0.10 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 2roq n ALA 63 Cb 0.37 -1.51 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.60 0.71 -3.72 0.00 0.63 -0.75 -5.03 116.66 105.90 2roq n ARG 64 Ca -0.14 -3.51 -0.37 0.00 -0.92 0.00 0.00 57.85 52.91 2roq n ARG 64 Cb 0.45 1.35 -0.10 0.00 0.45 0.00 0.00 32.46 34.61 2roq n ARG 64 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2roq s GLN 65 N -3.67 2.38 0.28 -0.14 0.74 -1.26 -4.34 119.66 113.65 2roq s GLN 65 Ca 0.09 -2.22 -0.29 0.00 0.05 0.00 0.00 55.36 52.99 2roq s GLN 65 Cb 0.00 -3.71 -0.10 0.00 1.10 0.00 0.00 33.01 30.31 2roq s GLN 65 CO 0.06 -1.14 1.14 0.54 -0.55 0.00 0.00 175.29 175.34 2roq s VAL 66 N 0.48 3.35 -0.06 1.34 0.11 -1.26 -4.93 120.40 119.42 2roq s VAL 66 Ca 0.13 1.35 -0.34 0.00 -2.93 0.00 0.00 61.98 60.19 2roq s VAL 66 Cb -0.21 -3.86 -0.12 0.00 -1.53 0.00 0.00 36.38 30.66 2roq s VAL 66 CO -0.04 0.32 1.84 0.35 -3.33 0.00 0.00 175.10 174.24 2roq n THR 67 N 1.19 0.50 -1.98 5.04 -2.24 -1.26 -4.83 114.28 110.69 2roq n THR 67 Ca -0.01 -0.09 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 2roq n THR 67 Cb 0.44 -1.82 -0.06 0.00 -2.10 0.00 0.00 70.33 66.79 2roq n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2roq n PRO 68 N 6.19 1.60 0.00 -0.78 -0.04 -1.26 -2.20 135.00 138.51 2roq n PRO 68 Ca 0.22 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 2roq n PRO 68 Cb 0.29 -3.66 0.00 0.00 -0.04 0.00 0.00 33.50 30.09 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 5.67 1.06 0.05 0.55 0.00 -1.26 -4.97 105.19 106.29 2roq n GLY 69 Ca 0.45 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.62 2roq n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2roq n GLN 70 N 0.00 0.52 0.09 1.61 7.27 -0.93 -3.46 117.38 122.48 2roq n GLN 70 Ca 0.00 -0.09 -0.08 0.00 0.07 0.00 0.00 57.00 56.89 2roq n GLN 70 Cb 0.00 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.14 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2roq h VAL 71 N 0.23 1.52 -0.91 1.69 2.07 -1.94 0.25 116.25 119.17 2roq h VAL 71 Ca 0.00 -2.70 -0.60 0.00 0.82 0.00 0.00 66.70 64.22 2roq h VAL 71 Cb 0.32 2.51 -0.26 0.00 -1.52 0.00 0.00 31.29 32.34 2roq h VAL 71 CO 0.00 0.78 0.78 0.23 0.02 0.00 0.00 177.57 179.38 2roq n MET 72 N -3.63 2.49 0.00 1.57 2.81 -1.22 -4.25 117.12 114.89 2roq n MET 72 Ca -0.03 -2.95 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 2roq n MET 72 Cb 0.82 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2roq n MET 72 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2roq n VAL 73 N -0.72 0.00 -0.26 2.03 0.24 -1.22 -4.90 118.33 113.50 2roq n VAL 73 Ca 0.57 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.80 2roq n VAL 73 Cb 0.73 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.04 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq n ALA 74 N -0.45 -0.40 0.00 2.33 0.00 0.88 -4.78 120.51 118.08 2roq n ALA 74 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2roq n ALA 74 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -4.74 0.00 -1.53 0.00 2.88 -1.26 -4.95 113.62 104.01 2roq n SER 75 Ca 0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.54 2roq n SER 75 Cb 0.16 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.63 2roq n SER 75 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2roq n THR 76 N 0.00 0.00 0.30 2.46 5.66 -1.26 -4.65 114.28 116.79 2roq n THR 76 Ca 0.00 -0.18 -0.16 0.00 -3.05 0.00 0.00 64.05 60.66 2roq n THR 76 Cb 0.00 0.21 -0.08 0.00 -1.55 0.00 0.00 70.33 68.91 2roq n THR 76 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2roq h VAL 77 N 1.25 0.00 -0.73 1.08 2.07 -1.30 0.34 116.25 118.96 2roq h VAL 77 Ca -0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.61 2roq h VAL 77 Cb 0.31 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.95 2roq h VAL 77 CO 0.10 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.65 2roq h ALA 78 N -1.15 0.69 -0.58 1.67 0.00 -1.58 0.10 119.26 118.41 2roq h ALA 78 Ca -0.07 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2roq h ALA 78 Cb 0.77 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2roq h ALA 78 CO 0.01 -0.42 0.17 0.87 0.00 0.00 0.00 179.25 179.88 2roq h LYS 79 N 0.08 0.90 -1.00 0.00 1.79 -1.78 -2.13 116.57 114.44 2roq h LYS 79 Ca 0.39 -0.20 0.15 0.00 -2.18 0.00 0.00 60.65 58.80 2roq h LYS 79 Cb 0.66 -0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.09 2roq h LYS 79 CO -0.66 0.82 0.63 1.25 -1.08 0.00 0.00 179.45 180.40 2roq h LEU 80 N 0.82 0.87 -0.34 2.94 7.12 0.22 0.25 115.31 127.19 2roq h LEU 80 Ca 0.19 0.06 -0.05 0.00 0.13 0.00 0.00 57.88 58.21 2roq h LEU 80 Cb 0.29 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 2roq h LEU 80 CO -0.00 0.41 -0.22 0.00 -0.13 0.00 0.00 178.44 178.50 2roq h ALA 81 N 1.58 0.89 0.00 1.25 0.00 -1.01 -2.25 119.26 119.71 2roq h ALA 81 Ca 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2roq h ALA 81 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2roq h ALA 81 CO -0.30 0.28 -0.39 2.41 0.00 0.00 0.00 179.25 181.24 2roq n THR 82 N -3.20 0.46 -0.09 0.00 -1.04 0.61 -2.02 114.28 109.00 2roq n THR 82 Ca 0.02 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.05 61.64 2roq n THR 82 Cb 0.56 -0.30 -0.15 0.00 -1.82 0.00 0.00 70.33 68.62 2roq n THR 82 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2roq n ILE 83 N -2.18 1.45 0.08 12.58 -5.35 0.31 -3.03 119.36 123.21 2roq n ILE 83 Ca 0.04 -0.81 0.04 0.00 -0.27 0.00 0.00 62.75 61.75 2roq n ILE 83 Cb 0.44 -0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 37.60 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 0.40 0.00 7.28 3.07 -1.51 -1.99 117.51 124.76 2roq h ILE 84 Ca -0.51 -1.72 -0.15 0.00 1.55 0.00 0.00 64.86 64.03 2roq h ILE 84 Cb 2.16 1.95 -0.03 0.00 -0.27 0.00 0.00 36.82 40.64 2roq h ILE 84 CO 0.02 0.23 -1.70 -0.67 -1.05 0.00 0.00 178.15 174.99 2roq n ASP 85 N -2.90 0.50 -0.00 2.16 2.03 -0.85 -4.74 116.55 112.74 2roq n ASP 85 Ca -0.04 0.21 -0.00 0.00 0.52 0.00 0.00 54.79 55.48 2roq n ASP 85 Cb 0.73 0.77 -0.00 0.00 -0.72 0.00 0.00 41.12 41.89 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 -2.41 1.19 -3.60 -1.67 0.00 -1.17 -5.05 120.51 107.80 2roq n ALA 86 Ca -0.12 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 2roq n ALA 86 Cb 0.81 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.21 2roq n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2roq s GLU 87 N -1.03 0.43 -0.47 0.00 2.02 -0.78 -5.01 118.70 113.84 2roq s GLU 87 Ca -0.00 0.14 -0.01 0.00 0.02 0.00 0.00 54.97 55.12 2roq s GLU 87 Cb 0.00 0.20 0.36 0.00 0.10 0.00 0.00 34.13 34.79 2roq s GLU 87 CO 0.01 -0.13 1.98 -0.85 0.02 0.00 0.00 175.26 176.29 2roq n GLU 88 N 0.80 2.20 -2.45 1.61 0.00 -1.00 -4.27 120.64 117.55 2roq n GLU 88 Ca -0.08 -2.41 -0.24 0.00 0.00 0.00 0.00 57.16 54.43 2roq n GLU 88 Cb 0.58 -1.95 0.10 0.00 0.00 0.00 0.00 31.44 30.18 2roq n GLU 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2roq s ASP 89 N -0.83 4.38 -0.97 -1.84 1.11 -1.26 -4.62 116.67 112.64 2roq s ASP 89 Ca 0.47 -0.11 -0.03 0.00 0.18 0.00 0.00 52.55 53.06 2roq s ASP 89 Cb 0.38 -0.34 -0.04 0.00 1.07 0.00 0.00 42.92 43.99 2roq s ASP 89 CO 0.01 -1.84 0.84 -1.20 1.18 0.00 0.00 175.17 174.15 2roq n SER 90 N -2.91 -4.70 -4.69 0.27 7.64 -1.26 -4.94 113.62 103.04 2roq n SER 90 Ca 0.13 -0.60 -0.42 0.00 1.01 0.00 0.00 58.87 58.99 2roq n SER 90 Cb 0.60 -4.64 -0.03 0.00 -1.01 0.00 0.00 64.21 59.14 2roq n SER 90 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2roq s THR 91 N -3.33 3.94 -0.00 0.44 -1.32 -1.26 -4.94 115.64 109.16 2roq s THR 91 Ca 0.27 1.30 -0.00 0.00 -1.21 0.00 0.00 61.69 62.05 2roq s THR 91 Cb -0.03 -3.84 -0.00 0.00 -1.51 0.00 0.00 72.50 67.12 2roq s THR 91 CO 0.65 0.00 -0.00 0.54 -2.21 0.00 0.00 174.62 173.60 2roq n ARG 92 N 5.23 0.00 -0.04 7.08 3.00 -1.26 -4.95 116.66 125.71 2roq n ARG 92 Ca 0.12 0.04 -0.04 0.00 -0.01 0.00 0.00 57.85 57.96 2roq n ARG 92 Cb 0.45 -0.54 -0.01 0.00 0.00 0.00 0.00 32.46 32.35 2roq n ARG 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2roq n ARG 93 N -2.48 0.25 -3.18 5.56 3.00 -1.26 -4.68 116.66 113.87 2roq n ARG 93 Ca -0.00 0.12 -0.23 0.00 -0.01 0.00 0.00 57.85 57.73 2roq n ARG 93 Cb 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 32.46 31.52 2roq n ARG 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2roq n MET 94 N -3.42 -4.12 -1.56 5.56 1.56 -1.26 -0.49 117.12 113.39 2roq n MET 94 Ca -0.06 0.69 -0.18 0.00 -0.27 0.00 0.00 57.70 57.87 2roq n MET 94 Cb 0.24 -5.47 -0.08 0.00 2.15 0.00 0.00 33.22 30.06 2roq n MET 94 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2roq n GLY 95 N -1.34 1.65 0.02 -5.12 0.00 -1.26 -4.72 105.19 94.42 2roq n GLY 95 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 2roq n GLY 95 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2roq n PHE 96 N -2.26 0.00 -2.61 1.61 7.35 0.36 -3.44 117.46 118.46 2roq n PHE 96 Ca -0.18 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.08 2roq n PHE 96 Cb 0.60 -0.28 -0.02 0.00 0.35 0.00 0.00 39.48 40.13 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 -2.30 4.28 0.51 -4.13 2.12 -1.04 -4.90 118.70 113.24 2roq s GLU 97 Ca -0.03 1.43 0.30 0.00 0.36 0.00 0.00 54.97 57.03 2roq s GLU 97 Cb 0.03 -3.65 1.42 0.00 0.26 0.00 0.00 34.13 32.20 2roq s GLU 97 CO 0.29 -0.60 1.85 1.79 -0.54 0.00 0.00 175.26 178.05 2roq h THR 98 N 5.40 0.52 -2.85 -1.70 1.35 -1.93 -3.39 112.91 110.30 2roq h THR 98 Ca -0.22 -0.03 -0.66 0.00 -0.55 0.00 0.00 66.41 64.95 2roq h THR 98 Cb 1.08 0.42 -0.09 0.00 -1.73 0.00 0.00 68.15 67.83 2roq h THR 98 CO 0.96 0.02 -0.50 -0.63 -0.25 0.00 0.00 175.52 175.11 2roq s ILE 99 N -5.07 5.32 -0.29 6.82 -1.09 -1.26 -2.60 121.20 123.03 2roq s ILE 99 Ca -0.06 0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.50 2roq s ILE 99 Cb 0.22 -3.34 0.09 0.00 -1.58 0.00 0.00 42.46 37.86 2roq s ILE 99 CO 0.79 0.58 0.08 -0.22 -1.23 0.00 0.00 174.94 174.93 2roq s LEU 100 N -0.71 2.36 -0.54 2.97 0.20 -1.18 -4.93 118.68 116.85 2roq s LEU 100 Ca 0.13 -1.56 -0.27 0.00 0.69 0.00 0.00 54.13 53.12 2roq s LEU 100 Cb -0.12 -0.92 -0.02 0.00 -0.43 0.00 0.00 46.19 44.70 2roq s LEU 100 CO 0.03 -0.39 1.82 -2.16 -0.29 0.00 0.00 176.35 175.36 2roq s PRO 101 N 1.57 2.83 -0.19 0.98 0.04 -1.26 -4.29 135.00 134.68 2roq s PRO 101 Ca 0.08 0.80 -0.22 0.00 0.04 0.00 0.00 61.00 61.69 2roq s PRO 101 Cb -0.17 -4.33 -0.21 0.00 0.04 0.00 0.00 34.50 29.83 2roq s PRO 101 CO -0.21 -2.48 0.34 -0.07 0.04 0.00 0.00 177.00 174.62 2roq h LEU 102 N 15.60 0.03 -7.34 -3.56 3.38 -1.93 -3.45 115.31 118.04 2roq h LEU 102 Ca -0.28 -0.63 -0.56 0.00 0.09 0.00 0.00 57.88 56.50 2roq h LEU 102 Cb 1.16 -0.01 -0.39 0.00 0.09 0.00 0.00 40.66 41.50 2roq h LEU 102 CO 1.17 1.41 -0.77 -0.60 0.09 0.00 0.00 178.44 179.75 2roq s ARG 103 N -2.35 0.92 -0.26 1.13 6.06 -1.20 -4.96 118.95 118.30 2roq s ARG 103 Ca -0.26 -0.77 -0.04 0.00 -2.50 0.00 0.00 55.73 52.16 2roq s ARG 103 Cb 0.04 -2.21 0.09 0.00 0.06 0.00 0.00 34.95 32.93 2roq s ARG 103 CO 0.62 -0.73 0.12 -1.83 -2.50 0.00 0.00 175.30 170.98 2roq s GLU 104 N 1.66 0.17 0.00 5.12 -1.05 -1.26 0.25 118.70 123.59 2roq s GLU 104 Ca 0.01 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 2roq s GLU 104 Cb -0.18 -1.37 0.00 0.00 -0.44 0.00 0.00 34.13 32.15 2roq s GLU 104 CO -0.12 -0.92 0.00 0.41 0.95 0.00 0.00 175.26 175.57 2roq n GLY 105 N 5.25 0.00 0.53 -3.83 0.00 -1.26 -5.08 105.19 100.80 2roq n GLY 105 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2roq n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2roq n ASN 106 N 0.00 0.00 0.00 1.61 3.02 -1.26 -5.00 115.26 113.62 2roq n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2roq n ASN 106 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2roq n GLY 107 N 2.68 -0.86 3.58 7.41 0.00 -1.26 -4.93 105.19 111.80 2roq n GLY 107 Ca 0.00 0.62 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 2roq n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 108 N 1.10 3.04 -0.48 1.61 0.04 -1.26 -4.61 135.00 134.43 2roq s PRO 108 Ca 0.00 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 61.73 2roq s PRO 108 Cb 0.00 -4.26 0.03 0.00 0.04 0.00 0.00 34.50 30.31 2roq s PRO 108 CO 0.00 -2.23 1.12 0.99 0.04 0.00 0.00 177.00 176.92 2roq s THR 109 N 7.71 4.23 0.01 1.26 2.01 -1.25 -2.98 115.64 126.63 2roq s THR 109 Ca 0.71 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 63.55 2roq s THR 109 Cb -0.17 -4.59 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 2roq s THR 109 CO 0.27 -1.01 1.29 -0.22 -0.69 0.00 0.00 174.62 174.26 2roq s LEU 110 N 4.40 4.33 -0.76 4.42 1.98 0.29 -4.65 118.68 128.69 2roq s LEU 110 Ca 0.46 2.03 -0.25 0.00 -2.89 0.00 0.00 54.13 53.49 2roq s LEU 110 Cb -0.07 -3.57 0.05 0.00 0.66 0.00 0.00 46.19 43.26 2roq s LEU 110 CO 0.31 -0.61 1.19 -0.36 -1.89 0.00 0.00 176.35 174.99 2roq s PHE 111 N 1.85 2.48 -0.63 5.38 0.08 -1.10 -0.10 117.98 125.96 2roq s PHE 111 Ca 0.60 -0.38 -0.19 0.00 0.12 0.00 0.00 56.93 57.08 2roq s PHE 111 Cb -0.30 -4.51 0.11 0.00 -0.57 0.00 0.00 43.02 37.75 2roq s PHE 111 CO 0.26 -1.89 0.75 0.00 -0.10 0.00 0.00 175.22 174.24 2roq s PHE 113 N 2.69 2.15 -0.24 0.00 5.36 -1.21 -2.46 117.98 124.26 2roq s PHE 113 Ca 0.14 -0.69 -0.01 0.00 -0.96 0.00 0.00 56.93 55.40 2roq s PHE 113 Cb -0.22 -1.32 -0.02 0.00 -0.34 0.00 0.00 43.02 41.13 2roq s PHE 113 CO 0.05 0.33 0.21 0.72 -1.46 0.00 0.00 175.22 175.07 2roq n HIS 114 N -0.71 -0.59 -0.04 10.12 8.25 -1.26 -4.16 115.22 126.82 2roq n HIS 114 Ca -0.05 0.21 -0.13 0.00 -0.26 0.00 0.00 57.72 57.49 2roq n HIS 114 Cb 0.65 -2.82 -0.08 0.00 1.12 0.00 0.00 29.99 28.86 2roq n HIS 114 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2roq h PRO 115 N -0.22 0.27 -6.41 -0.41 0.13 -1.86 -3.09 132.00 120.41 2roq h PRO 115 Ca -0.13 -0.14 -0.49 0.00 -0.87 0.00 0.00 66.00 64.36 2roq h PRO 115 Cb 1.07 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.13 2roq h PRO 115 CO 0.10 0.68 -0.78 0.00 -0.23 0.00 0.00 178.00 177.77 2roq n ALA 116 N -2.40 -1.31 -3.47 -0.56 0.00 -1.26 -4.88 120.51 106.63 2roq n ALA 116 Ca -0.07 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.52 2roq n ALA 116 Cb 0.34 -4.16 -0.05 0.00 0.00 0.00 0.00 19.45 15.58 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 -3.35 -0.29 0.18 0.00 0.15 -1.26 -4.94 113.70 104.20 2roq s SER 117 Ca 0.66 0.43 -0.33 0.00 0.70 0.00 0.00 55.95 57.41 2roq s SER 117 Cb -0.34 1.24 -0.15 0.00 -1.71 0.00 0.00 66.02 65.06 2roq s SER 117 CO 0.85 -0.06 1.26 0.61 1.20 0.00 0.00 173.24 177.10 2roq n GLY 118 N 4.07 0.34 2.65 9.45 0.00 -1.26 -4.02 105.19 116.42 2roq n GLY 118 Ca -0.13 0.54 -0.04 0.00 0.00 0.00 0.00 46.02 46.39 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 1.77 -4.22 -1.84 1.61 3.01 -1.26 -4.90 117.46 111.64 2roq n PHE 119 Ca 0.14 2.33 -0.36 0.00 1.01 0.00 0.00 57.45 60.57 2roq n PHE 119 Cb 0.26 -3.83 0.04 0.00 -0.01 0.00 0.00 39.48 35.95 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 1.52 6.20 0.39 4.37 0.00 -1.26 -4.54 120.51 127.20 2roq n ALA 120 Ca -0.31 -3.95 0.12 0.00 0.00 0.00 0.00 53.44 49.29 2roq n ALA 120 Cb 0.49 -1.65 0.11 0.00 0.00 0.00 0.00 19.45 18.40 2roq n ALA 120 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2roq h TRP 121 N 2.62 0.00 -0.00 0.00 6.55 -1.90 -3.28 115.95 119.94 2roq h TRP 121 Ca 0.53 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.37 2roq h TRP 121 Cb 0.44 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.74 2roq h TRP 121 CO 1.18 0.00 -0.00 0.94 -1.05 0.00 0.00 178.44 179.51 2roq n GLN 122 N -2.36 1.00 0.21 0.49 7.27 -1.26 -3.58 117.38 119.14 2roq n GLN 122 Ca 0.02 -0.07 0.14 0.00 0.07 0.00 0.00 57.00 57.16 2roq n GLN 122 Cb 0.48 -1.50 0.73 0.00 2.41 0.00 0.00 30.24 32.36 2roq n GLN 122 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 2roq h PHE 123 N 0.18 0.00 -0.99 3.69 -1.00 -1.93 -2.65 116.94 114.24 2roq h PHE 123 Ca 0.00 0.00 0.29 0.00 2.81 0.00 0.00 57.97 61.07 2roq h PHE 123 Cb 0.06 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 2roq h PHE 123 CO 0.00 0.00 0.71 0.66 -1.61 0.00 0.00 178.31 178.07 2roq h SER 124 N 0.00 0.00 -1.00 2.17 4.64 -1.87 0.19 113.55 117.69 2roq h SER 124 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 2roq h SER 124 Cb 0.10 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.12 2roq h SER 124 CO 0.00 0.00 0.64 1.62 -0.87 0.00 0.00 176.83 178.22 2roq h VAL 125 N 0.00 1.05 0.09 0.95 3.04 -1.80 0.73 116.25 120.31 2roq h VAL 125 Ca 0.47 -0.39 -0.19 0.00 -1.01 0.00 0.00 66.70 65.58 2roq h VAL 125 Cb 1.89 -0.18 0.02 0.00 -2.01 0.00 0.00 31.29 31.01 2roq h VAL 125 CO -0.00 0.21 -0.78 0.25 -1.01 0.00 0.00 177.57 176.23 2roq h LEU 126 N 1.14 0.53 -1.90 3.16 5.85 -0.88 -2.20 115.31 121.00 2roq h LEU 126 Ca 0.45 -0.88 0.02 0.00 0.84 0.00 0.00 57.88 58.31 2roq h LEU 126 Cb 0.24 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2roq h LEU 126 CO -0.19 1.35 0.12 0.77 -0.34 0.00 0.00 178.44 180.15 2roq h SER 127 N -0.22 0.11 1.00 1.25 4.64 -1.11 0.32 113.55 119.54 2roq h SER 127 Ca -0.12 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.05 2roq h SER 127 Cb 1.56 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 2roq h SER 127 CO 0.15 0.08 -1.07 0.08 -0.87 0.00 0.00 176.83 175.20 2roq h ARG 128 N 0.13 0.00 0.00 4.77 0.11 -0.91 0.19 114.38 118.66 2roq h ARG 128 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2roq h ARG 128 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2roq h ARG 128 CO -0.01 0.38 -0.51 0.66 0.10 0.00 0.00 179.97 180.58 2roq n TYR 129 N -3.02 0.49 -0.12 4.08 4.01 -0.44 -4.22 117.16 117.96 2roq n TYR 129 Ca -0.05 0.14 -0.22 0.00 -0.16 0.00 0.00 57.90 57.62 2roq n TYR 129 Cb 0.80 -0.62 -0.09 0.00 -0.31 0.00 0.00 39.34 39.11 2roq n TYR 129 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2roq n LEU 130 N -2.01 2.18 0.00 7.72 0.00 0.10 -4.48 117.00 120.51 2roq n LEU 130 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 56.01 56.18 2roq n LEU 130 Cb 0.42 -0.73 0.00 0.00 0.00 0.00 0.00 43.42 43.11 2roq n LEU 130 CO 0.35 0.64 0.00 0.47 0.00 0.00 0.00 177.39 178.85 2roq n ASP 131 N -3.71 0.00 0.00 1.96 8.00 -0.66 -4.84 116.55 117.30 2roq n ASP 131 Ca -0.44 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.13 2roq n ASP 131 Cb 0.87 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 42.31 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 0.14 0.00 -0.24 -0.04 0.56 -2.36 135.00 133.06 2roq n PRO 132 Ca 0.00 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2roq n PRO 132 Cb 0.00 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.49 2roq n PRO 132 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2roq n GLN 133 N -1.36 0.01 -4.00 0.54 7.27 -1.26 -4.81 117.38 113.76 2roq n GLN 133 Ca 0.06 0.07 -0.24 0.00 0.07 0.00 0.00 57.00 56.96 2roq n GLN 133 Cb 0.13 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.22 2roq n GLN 133 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2roq s TRP 134 N -2.99 2.55 0.61 3.69 0.23 -0.99 -4.66 118.94 117.37 2roq s TRP 134 Ca 0.12 -0.59 -0.14 0.00 -2.03 0.00 0.00 56.10 53.46 2roq s TRP 134 Cb 0.16 -2.00 -0.03 0.00 0.03 0.00 0.00 33.47 31.63 2roq s TRP 134 CO 0.45 0.08 1.04 -1.12 0.96 0.00 0.00 176.95 178.36 2roq s SER 135 N -3.98 5.91 -0.22 2.95 0.01 -1.16 -4.88 113.70 112.33 2roq s SER 135 Ca 0.41 1.64 -0.04 0.00 1.31 0.00 0.00 55.95 59.28 2roq s SER 135 Cb 0.02 -2.51 0.09 0.00 0.21 0.00 0.00 66.02 63.84 2roq s SER 135 CO 0.23 -1.08 0.19 -0.63 0.41 0.00 0.00 173.24 172.36 2roq s ILE 136 N -2.79 -0.25 -0.34 1.44 -1.09 0.14 -0.55 121.20 117.76 2roq s ILE 136 Ca 0.59 -0.27 -0.10 0.00 -2.23 0.00 0.00 60.65 58.64 2roq s ILE 136 Cb -0.13 -0.74 0.01 0.00 -1.58 0.00 0.00 42.46 40.01 2roq s ILE 136 CO 0.44 -0.33 0.17 -0.51 -1.23 0.00 0.00 174.94 173.48 2roq s ILE 137 N 2.26 4.57 0.08 2.92 1.10 0.86 -3.24 121.20 129.75 2roq s ILE 137 Ca 0.06 -0.63 0.06 0.00 -0.51 0.00 0.00 60.65 59.64 2roq s ILE 137 Cb -0.16 -3.43 -0.03 0.00 0.15 0.00 0.00 42.46 38.99 2roq s ILE 137 CO -0.18 -0.07 -0.17 -0.83 -2.11 0.00 0.00 174.94 171.58 2roq s GLY 138 N 1.58 1.00 -0.72 1.50 0.00 -1.26 -0.70 107.32 108.73 2roq s GLY 138 Ca 0.03 -1.08 -0.16 0.00 0.00 0.00 0.00 44.72 43.51 2roq s GLY 138 CO 0.06 -1.09 0.74 -0.42 0.00 0.00 0.00 173.10 172.40 2roq s ILE 139 N -1.18 5.19 -0.21 0.90 -1.09 -1.03 -3.11 121.20 120.68 2roq s ILE 139 Ca 0.02 -1.74 -0.09 0.00 -2.23 0.00 0.00 60.65 56.60 2roq s ILE 139 Cb -0.10 -4.49 0.08 0.00 -1.58 0.00 0.00 42.46 36.37 2roq s ILE 139 CO 0.03 -1.09 0.47 0.00 -1.23 0.00 0.00 174.94 173.12 2roq s GLN 140 N 1.50 0.43 -0.22 2.79 -2.07 -1.07 -4.77 119.66 116.25 2roq s GLN 140 Ca 0.15 1.00 -0.27 0.00 -1.82 0.00 0.00 55.36 54.42 2roq s GLN 140 Cb -0.17 0.21 0.11 0.00 -1.09 0.00 0.00 33.01 32.06 2roq s GLN 140 CO -0.02 -0.20 0.91 -1.54 -1.32 0.00 0.00 175.29 173.12 2roq s SER 141 N 2.02 -0.52 1.17 12.60 1.04 -1.26 -4.31 113.70 124.44 2roq s SER 141 Ca -0.06 0.87 -0.14 0.00 0.48 0.00 0.00 55.95 57.09 2roq s SER 141 Cb -0.10 0.83 0.20 0.00 0.10 0.00 0.00 66.02 67.06 2roq s SER 141 CO -0.14 -0.27 0.73 -0.81 0.98 0.00 0.00 173.24 173.72 2roq n PRO 142 N 1.81 -2.45 -3.81 4.02 -0.04 -1.22 -4.90 135.00 128.41 2roq n PRO 142 Ca -0.13 -1.17 -0.11 0.00 -0.04 0.00 0.00 63.50 62.05 2roq n PRO 142 Cb 0.56 -1.10 -0.08 0.00 -0.04 0.00 0.00 33.50 32.85 2roq n PRO 142 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2roq s ARG 143 N -4.66 0.72 -0.01 0.54 3.03 -1.26 -4.46 118.95 112.85 2roq s ARG 143 Ca 0.47 -0.52 -0.25 0.00 2.03 0.00 0.00 55.73 57.47 2roq s ARG 143 Cb -0.05 0.30 -0.19 0.00 -1.03 0.00 0.00 34.95 33.98 2roq s ARG 143 CO 0.36 -0.21 1.28 -1.00 -1.13 0.00 0.00 175.30 174.60 2roq h PRO 144 N 3.48 0.06 0.00 3.89 0.13 -1.99 -3.42 132.00 134.15 2roq h PRO 144 Ca -0.32 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2roq h PRO 144 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2roq h PRO 144 CO 0.46 0.53 -0.46 0.27 -0.23 0.00 0.00 178.00 178.57 2roq n ASN 145 N -4.80 2.18 -1.20 1.44 6.94 -1.26 -5.09 115.26 113.46 2roq n ASN 145 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 2roq n ASN 145 Cb 0.27 0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2roq n GLY 146 N 1.82 0.27 0.08 4.83 0.00 -1.26 -4.99 105.19 105.93 2roq n GLY 146 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 2roq n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2roq h PRO 147 N 0.00 0.09 -0.00 1.61 0.13 -2.00 -3.23 132.00 128.60 2roq h PRO 147 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2roq h PRO 147 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2roq h PRO 147 CO 0.00 0.55 -0.40 0.00 -0.23 0.00 0.00 178.00 177.92 2roq n MET 148 N -4.78 0.41 0.01 0.86 0.00 -1.26 -3.80 117.12 108.56 2roq n MET 148 Ca -0.08 -0.24 0.09 0.00 0.00 0.00 0.00 57.70 57.47 2roq n MET 148 Cb 0.28 -1.49 0.40 0.00 0.00 0.00 0.00 33.22 32.41 2roq n MET 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2roq n GLN 149 N -1.09 0.02 0.27 3.17 1.13 -1.22 -0.09 117.38 119.58 2roq n GLN 149 Ca 0.09 0.20 -0.11 0.00 -1.94 0.00 0.00 57.00 55.24 2roq n GLN 149 Cb 0.34 -1.54 -0.05 0.00 0.11 0.00 0.00 30.24 29.11 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2roq h THR 150 N 0.00 0.00 0.00 5.09 1.35 -1.66 -3.40 112.91 114.29 2roq h THR 150 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2roq h THR 150 Cb 0.33 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 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 -2.45 0.58 -0.35 6.62 0.00 -1.24 -4.70 120.51 118.98 2roq n ALA 151 Ca -0.09 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.33 2roq n ALA 151 Cb 0.28 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.03 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 2.35 -0.08 0.00 0.00 0.87 -4.65 120.51 118.99 2roq n ALA 152 Ca 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 53.44 52.09 2roq n ALA 152 Cb 0.21 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 2roq n ALA 152 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2roq h ASN 153 N 4.00 -0.92 0.01 0.00 -0.73 -1.39 0.49 115.58 117.04 2roq h ASN 153 Ca 0.00 0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 2roq h ASN 153 Cb 0.96 0.38 -0.00 0.00 0.27 0.00 0.00 38.32 39.93 2roq h ASN 153 CO 0.00 -0.19 -0.00 -0.07 -0.37 0.00 0.00 177.43 176.80 2roq h LEU 154 N -0.18 0.00 0.39 0.34 3.38 -1.89 -1.65 115.31 115.70 2roq h LEU 154 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2roq h LEU 154 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2roq h LEU 154 CO -0.30 0.00 -0.19 -0.78 0.09 0.00 0.00 178.44 177.26 2roq h ASP 155 N 0.00 -0.44 0.78 -0.43 1.82 -0.80 -2.14 116.42 115.21 2roq h ASP 155 Ca -0.00 -0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.49 2roq h ASP 155 Cb 0.01 0.11 0.01 0.00 0.68 0.00 0.00 39.33 40.15 2roq h ASP 155 CO 0.00 -0.01 -0.38 -0.08 -1.61 0.00 0.00 179.24 177.16 2roq h GLU 156 N -1.00 -1.01 -0.99 0.28 4.81 0.05 -2.03 114.58 114.69 2roq h GLU 156 Ca -0.05 0.07 0.26 0.00 -0.13 0.00 0.00 59.36 59.50 2roq h GLU 156 Cb 0.53 0.23 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 2roq h GLU 156 CO 0.09 -0.67 0.67 -0.39 -0.73 0.00 0.00 179.01 177.98 2roq h VAL 157 N -1.07 0.56 0.43 0.32 -1.51 -1.45 0.98 116.25 114.51 2roq h VAL 157 Ca -0.11 -0.09 -0.02 0.00 -1.23 0.00 0.00 66.70 65.25 2roq h VAL 157 Cb 0.81 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 2roq h VAL 157 CO 0.18 0.05 -0.21 0.00 -1.23 0.00 0.00 177.57 176.36 2roq h GLU 159 N -0.90 0.78 0.47 0.00 4.39 -0.56 -1.95 114.58 116.80 2roq h GLU 159 Ca -0.06 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2roq h GLU 159 Cb 0.57 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2roq h GLU 159 CO 0.10 0.52 -0.24 0.00 -1.16 0.00 0.00 179.01 178.23 2roq h ALA 160 N 1.24 -0.65 0.05 3.43 0.00 -0.88 -0.68 119.26 121.77 2roq h ALA 160 Ca 0.23 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2roq h ALA 160 Cb -0.06 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2roq h ALA 160 CO -0.06 -0.86 -0.50 1.25 0.00 0.00 0.00 179.25 179.07 2roq h HIS 161 N -0.65 -1.43 -0.32 0.00 -0.00 -0.96 -2.01 115.15 109.79 2roq h HIS 161 Ca -0.06 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.42 2roq h HIS 161 Cb 0.50 0.62 -0.08 0.00 -0.00 0.00 0.00 27.41 28.46 2roq h HIS 161 CO -0.05 -0.56 -0.19 1.25 -0.00 0.00 0.00 177.93 178.38 2roq h LEU 162 N -0.68 -0.64 -0.85 0.26 5.85 -1.34 -0.47 115.31 117.45 2roq h LEU 162 Ca 0.02 0.14 0.21 0.00 0.84 0.00 0.00 57.88 59.09 2roq h LEU 162 Cb 0.72 0.33 -0.14 0.00 0.37 0.00 0.00 40.66 41.94 2roq h LEU 162 CO -0.32 -0.23 0.12 0.00 -0.34 0.00 0.00 178.44 177.68 2roq h ALA 163 N 1.04 1.07 -0.36 1.25 0.00 -0.62 0.24 119.26 121.88 2roq h ALA 163 Ca 0.16 0.25 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 2roq h ALA 163 Cb 0.41 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2roq h ALA 163 CO -0.41 -0.46 -0.30 1.15 0.00 0.00 0.00 179.25 179.22 2roq h THR 164 N 0.14 1.28 0.82 0.00 2.02 -0.51 -1.88 112.91 114.78 2roq h THR 164 Ca 0.50 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.17 2roq h THR 164 Cb 0.98 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2roq h THR 164 CO -0.69 0.49 -0.39 -0.07 0.37 0.00 0.00 175.52 175.22 2roq h LEU 165 N 0.64 -0.93 -2.70 2.58 4.07 0.86 -2.00 115.31 117.82 2roq h LEU 165 Ca 0.06 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.06 2roq h LEU 165 Cb 0.88 0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 2roq h LEU 165 CO 0.08 -0.66 0.06 -0.07 -1.08 0.00 0.00 178.44 176.77 2roq h LEU 166 N -1.11 0.00 -0.59 1.67 -0.00 -0.82 0.59 115.31 115.04 2roq h LEU 166 Ca -0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.65 2roq h LEU 166 Cb 0.84 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2roq h LEU 166 CO 0.18 0.00 -0.56 -0.33 -0.00 0.00 0.00 178.44 177.73 2roq h GLU 167 N 0.00 0.00 0.00 1.13 5.08 -0.88 -3.17 114.58 116.74 2roq h GLU 167 Ca 0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 2roq h GLU 167 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2roq h GLU 167 CO -0.00 0.56 -1.34 1.96 -1.00 0.00 0.00 179.01 179.19 2roq h GLN 168 N 0.00 0.00 -1.87 2.33 1.08 -0.18 -3.48 115.11 112.99 2roq h GLN 168 Ca -0.01 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 2roq h GLN 168 Cb 1.17 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.40 2roq h GLN 168 CO 0.07 0.62 0.47 -0.65 -0.95 0.00 0.00 178.83 178.39 2roq s GLN 169 N -2.71 0.75 -0.02 1.46 -0.21 -0.89 -5.07 119.66 112.97 2roq s GLN 169 Ca -0.02 0.02 -0.26 0.00 0.02 0.00 0.00 55.36 55.12 2roq s GLN 169 Cb 0.09 0.35 -0.20 0.00 1.00 0.00 0.00 33.01 34.25 2roq s GLN 169 CO 0.81 -0.27 1.27 -1.00 -2.12 0.00 0.00 175.29 173.99 2roq h PRO 170 N 2.45 0.01 -3.23 2.91 0.13 -1.87 -3.34 132.00 129.07 2roq h PRO 170 Ca -0.21 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2roq h PRO 170 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2roq h PRO 170 CO 0.32 0.49 0.13 -3.38 -0.23 0.00 0.00 178.00 175.33 2roq s HIS 171 N -4.26 0.09 0.00 1.56 -3.43 -1.26 -4.85 115.29 103.14 2roq s HIS 171 Ca -0.16 -0.55 0.00 0.00 -0.80 0.00 0.00 55.06 53.55 2roq s HIS 171 Cb 0.02 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.72 2roq s HIS 171 CO 0.68 -1.24 0.00 0.41 -2.00 0.00 0.00 174.74 172.59 2roq n GLY 172 N -0.46 1.69 3.60 -1.38 0.00 -1.26 -5.02 105.19 102.36 2roq n GLY 172 Ca -0.04 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 2roq n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 173 N -1.38 3.47 0.17 1.61 0.04 -1.25 -4.12 135.00 133.54 2roq s PRO 173 Ca 0.00 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 2roq s PRO 173 Cb 0.00 -4.13 -0.06 0.00 0.04 0.00 0.00 34.50 30.35 2roq s PRO 173 CO 0.00 -1.69 0.42 0.71 0.04 0.00 0.00 177.00 176.48 2roq s TYR 174 N 6.27 3.46 -0.23 0.56 2.02 -1.25 -4.64 117.35 123.55 2roq s TYR 174 Ca 0.74 0.61 0.01 0.00 -0.37 0.00 0.00 57.07 58.07 2roq s TYR 174 Cb -0.21 -2.05 0.05 0.00 -0.40 0.00 0.00 41.96 39.35 2roq s TYR 174 CO 0.33 0.39 -0.08 1.52 -1.57 0.00 0.00 175.55 176.13 2roq s TYR 175 N -1.72 2.60 0.17 2.71 1.13 -1.26 -2.27 117.35 118.71 2roq s TYR 175 Ca 0.42 -1.83 -0.01 0.00 -1.41 0.00 0.00 57.07 54.23 2roq s TYR 175 Cb -0.12 -1.68 -0.04 0.00 -1.10 0.00 0.00 41.96 39.03 2roq s TYR 175 CO 0.24 -0.79 0.11 -0.48 -2.51 0.00 0.00 175.55 172.13 2roq s LEU 176 N 1.33 1.37 0.02 -3.49 2.34 -1.23 -2.70 118.68 116.31 2roq s LEU 176 Ca -0.05 -1.30 0.03 0.00 0.06 0.00 0.00 54.13 52.87 2roq s LEU 176 Cb -0.18 0.40 -0.01 0.00 -0.56 0.00 0.00 46.19 45.83 2roq s LEU 176 CO -0.07 -0.80 -0.10 -0.22 -1.06 0.00 0.00 176.35 174.10 2roq s LEU 177 N -3.11 2.11 0.30 1.48 2.96 -1.14 -1.35 118.68 119.92 2roq s LEU 177 Ca 0.32 -0.32 0.10 0.00 -0.22 0.00 0.00 54.13 54.01 2roq s LEU 177 Cb 0.07 -0.46 -0.05 0.00 0.50 0.00 0.00 46.19 46.25 2roq s LEU 177 CO 0.08 0.03 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.27 2roq s GLY 178 N -0.73 1.86 -0.18 7.98 0.00 0.12 -3.34 107.32 113.03 2roq s GLY 178 Ca 0.01 -1.82 -0.16 0.00 0.00 0.00 0.00 44.72 42.74 2roq s GLY 178 CO 0.00 -1.85 0.47 -0.47 0.00 0.00 0.00 173.10 171.26 2roq s TYR 179 N -2.44 -0.53 0.00 1.90 6.14 -1.17 -3.54 117.35 117.71 2roq s TYR 179 Ca 0.32 1.28 0.00 0.00 0.64 0.00 0.00 57.07 59.31 2roq s TYR 179 Cb -0.04 0.18 0.00 0.00 0.42 0.00 0.00 41.96 42.52 2roq s TYR 179 CO 0.18 -0.25 0.00 0.43 0.64 0.00 0.00 175.55 176.55 2roq n SER 180 N 2.86 0.00 -0.13 4.32 7.64 -1.20 -1.30 113.62 125.82 2roq n SER 180 Ca -0.14 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.87 2roq n SER 180 Cb 0.57 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.13 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 0.71 -0.38 -3.43 4.32 -1.26 -4.15 117.00 112.81 2roq n LEU 181 Ca 0.00 -0.10 0.36 0.00 -0.02 0.00 0.00 56.01 56.25 2roq n LEU 181 Cb 0.00 -0.19 0.71 0.00 -1.62 0.00 0.00 43.42 42.32 2roq n LEU 181 CO 0.00 0.15 1.32 1.23 -1.22 0.00 0.00 177.39 178.87 2roq h GLY 182 N 4.96 0.30 0.00 -0.72 0.00 -1.44 -2.06 103.07 104.12 2roq h GLY 182 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2roq h GLY 182 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.09 2roq n GLY 183 N -1.72 -2.83 0.10 4.60 0.00 -1.26 0.26 105.19 104.34 2roq n GLY 183 Ca 0.29 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.42 2roq n GLY 183 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2roq h THR 184 N 0.00 0.85 -0.02 2.61 1.35 -1.72 -2.12 112.91 113.86 2roq h THR 184 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 2roq h THR 184 Cb 0.00 0.85 -0.05 0.00 -1.73 0.00 0.00 68.15 67.22 2roq h THR 184 CO 0.00 0.00 -0.50 -0.07 -0.25 0.00 0.00 175.52 174.70 2roq h LEU 185 N -0.10 -1.54 -0.67 3.87 -0.00 -1.41 -1.70 115.31 113.77 2roq h LEU 185 Ca 0.03 0.17 0.14 0.00 -0.00 0.00 0.00 57.88 58.22 2roq h LEU 185 Cb 0.13 0.59 -0.12 0.00 -0.00 0.00 0.00 40.66 41.26 2roq h LEU 185 CO -0.06 -0.48 -0.02 0.00 -0.00 0.00 0.00 178.44 177.88 2roq h ALA 186 N -0.50 0.64 -0.87 1.53 0.00 -0.12 0.13 119.26 120.06 2roq h ALA 186 Ca 0.01 0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.30 2roq h ALA 186 Cb 0.66 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 2roq h ALA 186 CO -0.34 -0.41 0.45 1.96 0.00 0.00 0.00 179.25 180.91 2roq h GLN 187 N 0.09 0.60 0.25 0.00 7.50 -0.64 0.39 115.11 123.30 2roq h GLN 187 Ca 0.35 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.45 2roq h GLN 187 Cb 0.58 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.98 2roq h GLN 187 CO -0.60 0.40 -0.12 0.78 -1.50 0.00 0.00 178.83 177.79 2roq h GLY 188 N 0.62 -0.34 0.25 3.46 0.00 0.08 -2.14 103.07 105.00 2roq h GLY 188 Ca 0.49 0.13 0.19 0.00 0.00 0.00 0.00 47.33 48.13 2roq h GLY 188 CO -0.38 -0.13 0.61 0.16 0.00 0.00 0.00 176.54 176.80 2roq h ILE 189 N -0.44 0.72 0.00 2.60 3.07 -1.25 -1.11 117.51 121.11 2roq h ILE 189 Ca -0.03 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.17 2roq h ILE 189 Cb 0.25 0.04 -0.00 0.00 -0.27 0.00 0.00 36.82 36.84 2roq h ILE 189 CO 0.06 0.11 -0.01 0.00 -1.05 0.00 0.00 178.15 177.26 2roq h ALA 190 N 1.62 -0.01 -0.28 0.16 0.00 -0.24 -2.00 119.26 118.51 2roq h ALA 190 Ca 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 2roq h ALA 190 Cb 0.98 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2roq h ALA 190 CO -0.27 -0.51 0.17 0.00 0.00 0.00 0.00 179.25 178.64 2roq h ALA 191 N 0.97 1.77 -0.32 0.00 0.00 -0.52 -1.63 119.26 119.53 2roq h ALA 191 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2roq h ALA 191 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2roq h ALA 191 CO -0.01 0.21 -0.21 0.00 0.00 0.00 0.00 179.25 179.23 2roq h ARG 192 N 0.39 0.61 0.37 0.00 2.47 -0.83 -2.13 114.38 115.26 2roq h ARG 192 Ca 0.10 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.58 2roq h ARG 192 Cb -0.01 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2roq h ARG 192 CO -0.02 0.78 -0.18 -0.07 0.56 0.00 0.00 179.97 181.04 2roq h LEU 193 N 0.54 -0.42 -2.05 3.04 3.38 -0.61 0.26 115.31 119.45 2roq h LEU 193 Ca 0.08 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2roq h LEU 193 Cb 0.66 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2roq h LEU 193 CO 0.05 0.03 0.37 0.08 0.09 0.00 0.00 178.44 179.05 2roq h ARG 194 N -1.07 0.00 0.00 1.13 -0.00 -0.46 0.31 114.38 114.30 2roq h ARG 194 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.83 2roq h ARG 194 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.43 2roq h ARG 194 CO 0.08 0.00 -1.55 0.00 -0.00 0.00 0.00 179.97 178.51 2roq n ALA 195 N -2.29 2.28 0.50 0.08 0.00 -0.80 -4.00 120.51 116.29 2roq n ALA 195 Ca 0.05 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.08 2roq n ALA 195 Cb 0.51 -0.87 0.33 0.00 0.00 0.00 0.00 19.45 19.43 2roq n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq h ARG 196 N 0.00 0.00 0.00 0.00 3.08 0.32 -3.47 114.38 114.31 2roq h ARG 196 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2roq h ARG 196 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2roq h ARG 196 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 2roq n GLY 197 N 1.25 1.00 3.27 0.04 0.00 -0.45 -5.05 105.19 105.25 2roq n GLY 197 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2roq n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2roq s GLU 198 N -0.12 3.22 0.61 1.61 1.03 -0.22 -4.78 118.70 120.06 2roq s GLU 198 Ca 0.00 -0.75 -0.09 0.00 0.03 0.00 0.00 54.97 54.16 2roq s GLU 198 Cb 0.00 -2.61 -0.02 0.00 -0.80 0.00 0.00 34.13 30.71 2roq s GLU 198 CO 0.00 0.05 0.98 1.14 -1.33 0.00 0.00 175.26 176.10 2roq s GLN 199 N 0.74 3.28 -0.08 -4.83 -2.07 -1.26 -1.23 119.66 114.20 2roq s GLN 199 Ca -0.07 0.45 -0.04 0.00 -1.82 0.00 0.00 55.36 53.89 2roq s GLN 199 Cb -0.16 -2.15 -0.04 0.00 -1.09 0.00 0.00 33.01 29.58 2roq s GLN 199 CO 0.01 -0.65 0.08 0.14 -1.32 0.00 0.00 175.29 173.55 2roq s VAL 200 N -3.12 4.91 -0.14 3.63 -7.23 -1.26 -3.86 120.40 113.32 2roq s VAL 200 Ca 0.54 -0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.49 2roq s VAL 200 Cb -0.11 -3.14 -0.09 0.00 0.56 0.00 0.00 36.38 33.60 2roq s VAL 200 CO 0.50 0.54 0.12 0.00 -0.31 0.00 0.00 175.10 175.96 2roq h ALA 201 N 4.80 0.05 -0.35 1.32 0.00 -1.72 -3.45 119.26 119.93 2roq h ALA 201 Ca -0.52 -0.48 0.23 0.00 0.00 0.00 0.00 54.91 54.14 2roq h ALA 201 Cb 1.20 0.31 -0.21 0.00 0.00 0.00 0.00 17.79 19.09 2roq h ALA 201 CO 0.58 0.30 0.12 0.12 0.00 0.00 0.00 179.25 180.37 2roq s PHE 202 N -2.05 -0.56 -0.32 0.00 2.19 -1.15 -4.80 117.98 111.29 2roq s PHE 202 Ca -0.14 0.60 -0.15 0.00 0.33 0.00 0.00 56.93 57.57 2roq s PHE 202 Cb 0.01 0.20 -0.02 0.00 -1.31 0.00 0.00 43.02 41.90 2roq s PHE 202 CO 0.30 -0.31 0.37 -0.51 1.83 0.00 0.00 175.22 176.90 2roq s LEU 203 N 2.95 4.29 0.24 6.12 1.43 -1.23 -3.54 118.68 128.94 2roq s LEU 203 Ca -0.01 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 2roq s LEU 203 Cb -0.10 -2.37 -0.09 0.00 0.03 0.00 0.00 46.19 43.66 2roq s LEU 203 CO -0.11 -0.29 1.23 -0.83 0.23 0.00 0.00 176.35 176.58 2roq s GLY 204 N 1.71 2.78 -0.32 -3.19 0.00 -0.46 -3.17 107.32 104.67 2roq s GLY 204 Ca 0.13 1.04 -0.02 0.00 0.00 0.00 0.00 44.72 45.87 2roq s GLY 204 CO 0.11 1.84 0.17 1.08 0.00 0.00 0.00 173.10 176.30 2roq s LEU 205 N -0.83 0.70 -0.13 0.66 1.43 0.74 0.14 118.68 121.38 2roq s LEU 205 Ca 0.51 -1.67 -0.01 0.00 -1.03 0.00 0.00 54.13 51.93 2roq s LEU 205 Cb -0.35 -0.34 -0.02 0.00 0.03 0.00 0.00 46.19 45.52 2roq s LEU 205 CO 0.42 -0.38 -0.11 -1.48 0.23 0.00 0.00 176.35 175.02 2roq s LEU 206 N 1.65 2.82 -1.09 1.79 0.05 -1.23 -2.39 118.68 120.28 2roq s LEU 206 Ca 0.13 -0.29 -0.15 0.00 0.05 0.00 0.00 54.13 53.88 2roq s LEU 206 Cb -0.19 -1.64 -0.03 0.00 -2.05 0.00 0.00 46.19 42.27 2roq s LEU 206 CO -0.20 0.17 0.84 -0.67 -0.55 0.00 0.00 176.35 175.94 2roq n ASP 207 N 3.51 -5.91 0.00 1.48 -0.08 -1.26 -3.33 116.55 110.96 2roq n ASP 207 Ca -0.18 -0.87 0.00 0.00 -1.51 0.00 0.00 54.79 52.23 2roq n ASP 207 Cb 0.53 -4.09 0.00 0.00 2.34 0.00 0.00 41.12 39.90 2roq n ASP 207 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2roq n THR 208 N -3.73 0.00 -1.34 5.18 -2.24 -1.26 -3.24 114.28 107.64 2roq n THR 208 Ca -0.08 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.86 2roq n THR 208 Cb 0.60 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 2roq n THR 208 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2roq n TRP 209 N -1.49 -3.60 -1.23 4.78 7.02 -1.26 -4.79 117.44 116.87 2roq n TRP 209 Ca 0.00 1.99 -0.30 0.00 -1.02 0.00 0.00 57.50 58.17 2roq n TRP 209 Cb 0.00 -3.28 0.12 0.00 -2.42 0.00 0.00 31.31 25.73 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 2roq s PRO 210 N -4.20 1.67 0.21 -0.99 0.04 -1.26 -4.55 135.00 125.92 2roq s PRO 210 Ca 0.00 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 2roq s PRO 210 Cb 0.00 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 32.88 2roq s PRO 210 CO 0.00 -1.99 1.57 -1.00 0.04 0.00 0.00 177.00 175.62 2roq h PRO 211 N -1.37 0.58 -0.83 0.56 0.13 -1.93 -3.16 132.00 125.98 2roq h PRO 211 Ca -0.47 -0.31 0.16 0.00 -0.87 0.00 0.00 66.00 64.51 2roq h PRO 211 Cb 1.26 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 2roq h PRO 211 CO 0.53 0.90 0.38 1.49 -0.23 0.00 0.00 178.00 181.07 2roq h GLU 212 N 0.47 0.50 0.00 0.86 4.81 -2.01 -3.04 114.58 116.18 2roq h GLU 212 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2roq h GLU 212 Cb 0.94 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2roq h GLU 212 CO 0.08 0.33 0.00 2.41 -0.73 0.00 0.00 179.01 181.10 2roq n THR 213 N -4.95 0.00 -3.50 0.32 -1.04 -1.19 -4.93 114.28 98.99 2roq n THR 213 Ca 0.17 1.30 -0.20 0.00 -2.04 0.00 0.00 64.05 63.29 2roq n THR 213 Cb 0.47 -2.21 0.02 0.00 -1.82 0.00 0.00 70.33 66.80 2roq n THR 213 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roq n GLN 214 N -1.56 -1.38 0.07 -2.82 6.02 -1.15 -4.91 117.38 111.64 2roq n GLN 214 Ca 0.00 0.86 -0.03 0.00 -0.01 0.00 0.00 57.00 57.82 2roq n GLN 214 Cb 0.00 -4.27 -0.01 0.00 1.02 0.00 0.00 30.24 26.97 2roq n GLN 214 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2roq h ASN 215 N -0.78 -0.15 0.12 1.08 -1.24 -1.92 -3.13 115.58 109.57 2roq h ASN 215 Ca -0.46 0.01 -0.22 0.00 0.71 0.00 0.00 56.30 56.34 2roq h ASN 215 Cb 1.26 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 40.31 2roq h ASN 215 CO 0.40 -0.11 -2.10 -2.67 -1.29 0.00 0.00 177.43 171.67 2roq n TRP 216 N -2.50 0.18 0.30 0.67 4.27 -1.26 -4.18 117.44 114.92 2roq n TRP 216 Ca -0.02 0.06 0.19 0.00 -3.89 0.00 0.00 57.50 53.84 2roq n TRP 216 Cb 0.07 -0.86 0.95 0.00 -1.36 0.00 0.00 31.31 30.11 2roq n TRP 216 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2roq h GLN 217 N 0.00 0.00 -0.96 -2.67 4.20 -1.96 -2.67 115.11 111.06 2roq h GLN 217 Ca -0.31 0.00 0.24 0.00 0.06 0.00 0.00 58.65 58.64 2roq h GLN 217 Cb 1.74 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.45 2roq h GLN 217 CO 0.02 0.00 0.64 1.49 -0.67 0.00 0.00 178.83 180.32 2roq h GLU 218 N 0.00 0.28 -0.85 1.46 4.81 -1.71 -3.37 114.58 115.20 2roq h GLU 218 Ca 0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2roq h GLU 218 Cb 0.17 -0.06 -0.19 0.00 0.63 0.00 0.00 28.75 29.29 2roq h GLU 218 CO 0.00 0.19 -0.36 0.15 -0.73 0.00 0.00 179.01 178.26 2roq s LYS 219 N -5.31 0.62 0.59 1.92 1.02 -1.00 -5.00 119.74 112.57 2roq s LYS 219 Ca -0.07 0.02 0.38 0.00 0.02 0.00 0.00 55.97 56.32 2roq s LYS 219 Cb 0.23 0.13 2.07 0.00 -0.52 0.00 0.00 37.83 39.74 2roq s LYS 219 CO 0.79 -0.97 2.16 1.05 -0.92 0.00 0.00 175.35 177.46 2roq h GLU 220 N 7.11 0.00 -0.22 1.68 -0.00 -1.72 -0.07 114.58 121.36 2roq h GLU 220 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.25 2roq h GLU 220 Cb 1.19 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 29.86 2roq h GLU 220 CO 0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 179.01 178.77 2roq n ALA 221 N -1.99 4.10 -2.29 1.06 0.00 -1.26 -4.17 120.51 115.96 2roq n ALA 221 Ca -0.03 -3.28 -0.02 0.00 0.00 0.00 0.00 53.44 50.12 2roq n ALA 221 Cb 0.09 -0.54 0.03 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.10 -0.57 0.00 0.00 2.85 -0.12 -4.98 115.26 111.35 2roq n ASN 222 Ca 0.28 -1.31 0.00 0.00 -0.11 0.00 0.00 54.58 53.44 2roq n ASN 222 Cb 0.87 0.24 0.00 0.00 1.24 0.00 0.00 39.78 42.13 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roq n GLY 223 N -0.45 0.06 3.58 8.20 0.00 -0.73 -4.78 105.19 111.07 2roq n GLY 223 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 3.43 0.50 0.99 1.43 -1.20 -4.94 118.68 118.89 2roq s LEU 224 Ca 0.00 1.30 -0.19 0.00 -1.03 0.00 0.00 54.13 54.22 2roq s LEU 224 Cb 0.00 -3.19 -0.08 0.00 0.03 0.00 0.00 46.19 42.95 2roq s LEU 224 CO 0.00 -2.10 1.00 -1.81 0.23 0.00 0.00 176.35 173.67 2roq s ASP 225 N 8.18 6.48 0.00 2.29 1.11 -1.26 -4.93 116.67 128.55 2roq s ASP 225 Ca 0.88 1.76 0.15 0.00 0.18 0.00 0.00 52.55 55.52 2roq s ASP 225 Cb -0.23 -2.54 0.88 0.00 1.07 0.00 0.00 42.92 42.10 2roq s ASP 225 CO 0.31 -0.68 1.36 -0.81 1.18 0.00 0.00 175.17 176.53 2roq n PRO 226 N -1.20 0.41 0.10 8.23 -0.04 -1.26 -2.71 135.00 138.53 2roq n PRO 226 Ca 0.08 0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.34 2roq n PRO 226 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.46 -0.04 0.54 5.08 -1.98 -2.66 114.58 115.98 2roq h GLU 227 Ca 0.00 -0.78 -0.23 0.00 -1.00 0.00 0.00 59.36 57.34 2roq h GLU 227 Cb 0.04 0.29 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2roq h GLU 227 CO 0.00 1.37 -0.92 -0.24 -1.00 0.00 0.00 179.01 178.22 2roq h VAL 228 N 0.12 1.33 -0.19 3.13 3.04 -1.91 -2.35 116.25 119.43 2roq h VAL 228 Ca -0.31 -2.26 -0.09 0.00 -1.01 0.00 0.00 66.70 63.03 2roq h VAL 228 Cb 2.13 2.29 -0.00 0.00 -2.01 0.00 0.00 31.29 33.70 2roq h VAL 228 CO 0.22 0.69 -0.25 -0.07 -1.01 0.00 0.00 177.57 177.15 2roq h LEU 229 N 0.35 0.54 -1.56 3.16 3.38 -1.69 -2.10 115.31 117.38 2roq h LEU 229 Ca -0.09 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 2roq h LEU 229 Cb 1.56 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 2roq h LEU 229 CO 0.17 0.94 -0.04 0.00 0.09 0.00 0.00 178.44 179.60 2roq h ALA 230 N 0.62 1.02 0.03 1.53 0.00 -1.55 -1.67 119.26 119.24 2roq h ALA 230 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2roq h ALA 230 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2roq h ALA 230 CO 0.06 0.06 -0.01 0.93 0.00 0.00 0.00 179.25 180.28 2roq h GLU 231 N 0.00 -0.04 -0.51 0.00 4.39 -1.27 -2.11 114.58 115.04 2roq h GLU 231 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2roq h GLU 231 Cb 0.50 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2roq h GLU 231 CO 0.01 0.35 0.22 -0.84 -1.16 0.00 0.00 179.01 177.59 2roq h ILE 232 N -0.99 1.18 -0.24 3.13 3.07 -1.39 -2.01 117.51 120.27 2roq h ILE 232 Ca -0.00 -0.54 -0.18 0.00 1.55 0.00 0.00 64.86 65.68 2roq h ILE 232 Cb 0.41 0.55 0.00 0.00 -0.27 0.00 0.00 36.82 37.52 2roq h ILE 232 CO 0.01 0.22 -0.55 -1.13 -1.05 0.00 0.00 178.15 175.65 2roq h ASN 233 N 0.72 0.89 -0.79 2.16 -0.73 -1.43 -2.13 115.58 114.27 2roq h ASN 233 Ca 0.18 -0.56 -0.01 0.00 1.87 0.00 0.00 56.30 57.78 2roq h ASN 233 Cb 0.12 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.41 2roq h ASN 233 CO -0.02 1.28 0.45 0.03 -0.37 0.00 0.00 177.43 178.81 2roq h ARG 234 N 0.53 1.10 -0.20 6.67 3.08 -1.00 0.98 114.38 125.53 2roq h ARG 234 Ca -0.00 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 2roq h ARG 234 Cb 1.16 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2roq h ARG 234 CO 0.12 0.80 -0.43 1.49 -1.07 0.00 0.00 179.97 180.87 2roq h GLU 235 N 1.11 0.65 -0.48 0.04 4.57 -1.35 -0.38 114.58 118.75 2roq h GLU 235 Ca 0.28 -0.43 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 2roq h GLU 235 Cb 0.00 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2roq h GLU 235 CO -0.05 1.05 -0.05 -0.09 -1.18 0.00 0.00 179.01 178.68 2roq h ARG 236 N 0.34 0.84 0.00 1.92 1.12 -1.07 -2.00 114.38 115.53 2roq h ARG 236 Ca 0.00 -0.26 0.00 0.00 -1.11 0.00 0.00 59.98 58.61 2roq h ARG 236 Cb 1.04 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.92 2roq h ARG 236 CO 0.10 0.88 -0.17 -1.91 -3.11 0.00 0.00 179.97 175.75 2roq n GLU 237 N -4.18 0.17 0.07 0.20 0.00 0.31 -1.90 120.64 115.30 2roq n GLU 237 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2roq n GLU 237 Cb 0.34 -1.67 -0.05 0.00 0.00 0.00 0.00 31.44 30.06 2roq n GLU 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2roq h ALA 238 N 2.69 0.65 0.00 4.31 0.00 -0.54 -3.22 119.26 123.15 2roq h ALA 238 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2roq h ALA 238 Cb 0.65 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2roq h ALA 238 CO 0.00 0.85 -0.84 0.34 0.00 0.00 0.00 179.25 179.60 2roq n PHE 239 N -3.01 0.19 -0.17 0.00 -0.00 -0.80 -2.85 117.46 110.82 2roq n PHE 239 Ca -0.06 0.08 -0.02 0.00 -0.00 0.00 0.00 57.45 57.46 2roq n PHE 239 Cb 0.81 -0.53 0.06 0.00 -0.00 0.00 0.00 39.48 39.83 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 -0.94 -0.26 0.00 -2.13 7.12 -1.61 -3.17 115.31 114.32 2roq h LEU 240 Ca 0.00 0.13 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 2roq h LEU 240 Cb 0.84 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.20 2roq h LEU 240 CO 0.00 -0.10 -0.05 0.00 -0.13 0.00 0.00 178.44 178.16 2roq h ALA 241 N 1.48 0.00 -2.28 1.25 0.00 -1.72 -3.41 119.26 114.58 2roq h ALA 241 Ca 0.26 -0.11 -0.37 0.00 0.00 0.00 0.00 54.91 54.70 2roq h ALA 241 Cb 0.41 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 2roq h ALA 241 CO -0.46 0.05 -0.41 0.00 0.00 0.00 0.00 179.25 178.43 2roq n ALA 242 N -2.83 -0.49 -3.11 0.00 0.00 -1.13 -2.07 120.51 110.88 2roq n ALA 242 Ca -0.02 0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 2roq n ALA 242 Cb 0.08 -1.92 0.07 0.00 0.00 0.00 0.00 19.45 17.68 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 -2.61 -4.03 -3.63 0.00 6.02 -1.26 -5.02 117.38 106.84 2roq n GLN 243 Ca -0.20 0.72 -0.04 0.00 -0.01 0.00 0.00 57.00 57.47 2roq n GLN 243 Cb 0.64 -5.25 -0.05 0.00 1.02 0.00 0.00 30.24 26.59 2roq n GLN 243 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2roq s GLN 244 N -4.74 0.17 0.00 -1.09 -0.21 -0.88 -5.17 119.66 107.74 2roq s GLN 244 Ca 0.16 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.61 2roq s GLN 244 Cb -0.02 0.08 0.00 0.00 1.00 0.00 0.00 33.01 34.07 2roq s GLN 244 CO 0.62 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 174.15 2roq n GLY 245 N 0.77 3.88 0.01 3.09 0.00 -1.26 -4.74 105.19 106.94 2roq n GLY 245 Ca -0.04 -1.34 0.09 0.00 0.00 0.00 0.00 46.02 44.73 2roq n GLY 245 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2roq n SER 246 N 0.00 0.08 -4.50 1.61 7.64 -1.26 -4.76 113.62 112.44 2roq n SER 246 Ca 0.00 0.52 -0.42 0.00 1.01 0.00 0.00 58.87 59.98 2roq n SER 246 Cb 0.00 -0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 62.58 2roq n SER 246 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2roq n THR 247 N -1.59 0.01 0.38 0.44 -1.04 -1.26 -4.82 114.28 106.40 2roq n THR 247 Ca 0.04 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.05 61.51 2roq n THR 247 Cb 0.22 -1.70 -0.08 0.00 -1.82 0.00 0.00 70.33 66.95 2roq n THR 247 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2roq h SER 248 N 15.05 -0.84 0.00 8.00 0.87 -2.03 -3.43 113.55 131.17 2roq h SER 248 Ca -0.18 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2roq h SER 248 Cb 1.30 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.47 2roq h SER 248 CO 1.20 -0.48 -0.03 1.07 -0.53 0.00 0.00 176.83 178.05 2roq n THR 249 N -5.45 0.00 0.01 2.23 5.66 -1.26 -4.94 114.28 110.53 2roq n THR 249 Ca -0.13 -0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.86 2roq n THR 249 Cb 0.40 0.04 -0.00 0.00 -1.55 0.00 0.00 70.33 69.22 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2roq h GLU 250 N 0.00 -0.05 -0.24 1.09 5.08 -1.96 -2.14 114.58 116.36 2roq h GLU 250 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2roq h GLU 250 Cb 1.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2roq h GLU 250 CO -0.01 -0.04 0.09 1.25 -1.00 0.00 0.00 179.01 179.30 2roq h LEU 251 N -0.33 0.30 0.45 1.33 6.46 -1.94 -2.10 115.31 119.47 2roq h LEU 251 Ca -0.01 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 2roq h LEU 251 Cb 0.04 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2roq h LEU 251 CO 0.01 0.28 -0.21 -0.26 -0.62 0.00 0.00 178.44 177.64 2roq h PHE 252 N 0.34 -0.56 -0.97 1.25 0.04 -1.92 -2.13 116.94 112.99 2roq h PHE 252 Ca 0.09 -0.01 0.19 0.00 2.80 0.00 0.00 57.97 61.03 2roq h PHE 252 Cb 0.08 0.18 -0.09 0.00 2.20 0.00 0.00 35.95 38.33 2roq h PHE 252 CO 0.00 -0.25 0.61 1.15 -0.60 0.00 0.00 178.31 179.23 2roq h THR 253 N -1.04 0.71 0.00 -1.55 2.02 -1.26 0.38 112.91 112.18 2roq h THR 253 Ca -0.06 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2roq h THR 253 Cb 0.56 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2roq h THR 253 CO 0.10 0.12 0.00 0.35 0.37 0.00 0.00 175.52 176.46 2roq n THR 254 N -4.65 0.00 -0.15 3.16 -2.24 -0.80 -1.91 114.28 107.69 2roq n THR 254 Ca 0.22 1.17 -0.03 0.00 -2.27 0.00 0.00 64.05 63.14 2roq n THR 254 Cb 0.61 -2.16 0.04 0.00 -2.10 0.00 0.00 70.33 66.72 2roq n THR 254 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2roq h ILE 255 N 0.00 0.57 -0.68 2.28 2.04 -1.22 0.35 117.51 120.83 2roq h ILE 255 Ca 0.00 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 65.99 2roq h ILE 255 Cb 0.00 0.52 -0.10 0.00 -0.74 0.00 0.00 36.82 36.50 2roq h ILE 255 CO 0.00 0.01 0.13 -0.08 0.00 0.00 0.00 178.15 178.21 2roq h GLU 256 N 0.04 0.24 0.00 2.37 4.81 -0.33 0.27 114.58 121.97 2roq h GLU 256 Ca 0.23 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2roq h GLU 256 Cb 0.36 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2roq h GLU 256 CO -0.45 0.16 -0.30 0.78 -0.73 0.00 0.00 179.01 178.46 2roq h GLY 257 N 0.24 0.00 0.31 1.92 0.00 -0.50 -2.14 103.07 102.90 2roq h GLY 257 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 2roq h GLY 257 CO -0.49 0.00 -0.02 -0.57 0.00 0.00 0.00 176.54 175.46 2roq h ASN 258 N 0.00 -0.05 0.37 0.19 -0.73 0.22 -0.89 115.58 114.69 2roq h ASN 258 Ca -0.00 -0.60 -0.13 0.00 1.87 0.00 0.00 56.30 57.44 2roq h ASN 258 Cb 1.13 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.72 2roq h ASN 258 CO 0.04 0.61 -0.55 0.10 -0.37 0.00 0.00 177.43 177.26 2roq h TYR 259 N -0.75 0.25 -0.12 0.67 -0.00 -0.71 -1.32 116.97 114.99 2roq h TYR 259 Ca -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 58.73 58.53 2roq h TYR 259 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 37.33 2roq h TYR 259 CO 0.15 0.70 -0.36 0.00 -0.00 0.00 0.00 178.16 178.65 2roq h ALA 260 N 1.28 0.20 -0.34 0.10 0.00 -1.46 -0.99 119.26 118.05 2roq h ALA 260 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2roq h ALA 260 Cb 1.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2roq h ALA 260 CO 0.08 0.28 -0.31 -0.44 0.00 0.00 0.00 179.25 178.86 2roq h ASP 261 N 0.04 0.77 -0.29 0.00 5.19 -1.15 -0.90 116.42 120.08 2roq h ASP 261 Ca -0.01 -0.31 -0.16 0.00 -0.62 0.00 0.00 57.03 55.93 2roq h ASP 261 Cb 0.98 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 2roq h ASP 261 CO 0.08 1.02 -0.44 0.00 -3.12 0.00 0.00 179.24 176.78 2roq h ALA 262 N 1.02 0.45 0.00 3.45 0.00 -1.27 0.35 119.26 123.26 2roq h ALA 262 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2roq h ALA 262 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2roq h ALA 262 CO 0.07 0.59 0.00 1.55 0.00 0.00 0.00 179.25 181.46 2roq n VAL 263 N -4.11 0.31 0.04 0.00 3.14 -0.38 -1.69 118.33 115.64 2roq n VAL 263 Ca -0.04 0.01 0.07 0.00 -2.96 0.00 0.00 64.34 61.42 2roq n VAL 263 Cb 0.57 -0.63 -0.11 0.00 -1.06 0.00 0.00 33.84 32.60 2roq n VAL 263 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2roq n ARG 264 N -1.66 0.58 0.00 1.45 1.74 -0.35 -4.41 116.66 114.01 2roq n ARG 264 Ca 0.06 -0.13 0.10 0.00 -0.77 0.00 0.00 57.85 57.11 2roq n ARG 264 Cb 0.32 -1.34 -0.09 0.00 -1.02 0.00 0.00 32.46 30.33 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2roq n LEU 265 N -1.97 0.90 0.11 0.55 -0.00 0.12 -4.19 117.00 112.52 2roq n LEU 265 Ca -0.02 -0.42 0.09 0.00 -0.00 0.00 0.00 56.01 55.65 2roq n LEU 265 Cb 0.38 -0.02 0.44 0.00 -0.00 0.00 0.00 43.42 44.21 2roq n LEU 265 CO 0.31 0.22 0.77 0.00 -0.00 0.00 0.00 177.39 178.70 2roq n LEU 266 N -1.54 0.44 -0.05 1.47 -0.00 -0.69 -1.11 117.00 115.52 2roq n LEU 266 Ca 0.04 0.67 -0.02 0.00 -0.00 0.00 0.00 56.01 56.70 2roq n LEU 266 Cb 0.34 -0.69 -0.15 0.00 -0.00 0.00 0.00 43.42 42.92 2roq n LEU 266 CO 0.42 -0.73 -0.92 1.07 -0.00 0.00 0.00 177.39 177.24 2roq n THR 267 N -2.06 0.91 0.06 1.47 5.66 -1.26 -4.38 114.28 114.68 2roq n THR 267 Ca 0.00 -0.72 -0.14 0.00 -3.05 0.00 0.00 64.05 60.14 2roq n THR 267 Cb 0.08 -0.35 -0.14 0.00 -1.55 0.00 0.00 70.33 68.38 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 1.29 -1.91 1.09 2.02 -1.47 -3.47 112.91 110.47 2roq h THR 268 Ca -0.32 -2.95 -0.17 0.00 0.77 0.00 0.00 66.41 63.74 2roq h THR 268 Cb 1.76 2.78 0.10 0.00 -1.74 0.00 0.00 68.15 71.05 2roq h THR 268 CO 0.02 0.83 -0.08 0.00 0.37 0.00 0.00 175.52 176.66 2roq n ALA 269 N -2.58 -2.50 -2.54 6.16 0.00 -0.27 -5.05 120.51 113.74 2roq n ALA 269 Ca -0.12 -0.73 -0.24 0.00 0.00 0.00 0.00 53.44 52.35 2roq n ALA 269 Cb 1.02 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 20.32 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 -1.52 2.54 -0.21 0.00 3.76 -1.26 -5.04 115.29 113.56 2roq s HIS 270 Ca 0.32 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.54 2roq s HIS 270 Cb -0.06 -1.40 0.13 0.00 1.11 0.00 0.00 32.58 32.36 2roq s HIS 270 CO 0.27 0.52 1.02 -1.54 -0.85 0.00 0.00 174.74 174.16 2roq s SER 271 N -3.69 -0.40 -0.02 1.40 1.04 -1.26 -4.88 113.70 105.90 2roq s SER 271 Ca 0.34 0.58 -0.01 0.00 0.48 0.00 0.00 55.95 57.35 2roq s SER 271 Cb -0.01 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.66 2roq s SER 271 CO 0.19 -0.26 0.04 -0.69 0.98 0.00 0.00 173.24 173.50 2roq s VAL 272 N -0.55 -0.04 0.92 5.02 1.01 -1.26 -4.98 120.40 120.52 2roq s VAL 272 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2roq s VAL 272 Cb -0.02 -0.08 0.14 0.00 0.00 0.00 0.00 36.38 36.41 2roq s VAL 272 CO -0.02 0.06 1.09 -2.16 0.00 0.00 0.00 175.10 174.07 2roq s PRO 273 N 0.73 1.10 0.03 2.72 0.04 -1.26 -3.98 135.00 134.38 2roq s PRO 273 Ca -0.06 0.76 0.01 0.00 0.04 0.00 0.00 61.00 61.75 2roq s PRO 273 Cb -0.09 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 2roq s PRO 273 CO -0.02 -2.34 -0.06 0.12 0.04 0.00 0.00 177.00 174.74 2roq s PHE 274 N -2.94 0.51 -1.15 0.56 5.36 -1.26 -4.87 117.98 114.19 2roq s PHE 274 Ca 0.64 -0.50 -0.10 0.00 -0.96 0.00 0.00 56.93 56.00 2roq s PHE 274 Cb -0.18 -0.32 0.25 0.00 -0.34 0.00 0.00 43.02 42.43 2roq s PHE 274 CO 0.57 -0.12 1.22 -0.25 -1.46 0.00 0.00 175.22 175.18 2roq n ASP 275 N 1.55 5.44 0.00 6.13 8.00 -1.26 -4.86 116.55 131.55 2roq n ASP 275 Ca -0.23 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.25 2roq n ASP 275 Cb 0.55 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2roq n GLY 276 N 3.10 4.90 3.01 0.44 0.00 -1.26 -4.98 105.19 110.41 2roq n GLY 276 Ca 0.28 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 2roq n GLY 276 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2roq s LYS 277 N 4.66 0.96 -0.10 1.61 0.00 -1.26 -3.26 119.74 122.35 2roq s LYS 277 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 55.97 55.35 2roq s LYS 277 Cb 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 37.83 37.01 2roq s LYS 277 CO 0.00 0.14 0.71 0.00 0.00 0.00 0.00 175.35 176.20 2roq s ALA 278 N 0.11 -1.78 -0.49 0.59 0.00 -1.22 -3.51 121.76 115.45 2roq s ALA 278 Ca -0.02 1.47 -0.26 0.00 0.00 0.00 0.00 51.96 53.15 2roq s ALA 278 Cb -0.08 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2roq s ALA 278 CO 0.00 -0.36 1.00 0.99 0.00 0.00 0.00 175.76 177.39 2roq s THR 279 N -0.88 4.36 0.06 0.00 2.01 -1.19 -3.46 115.64 116.53 2roq s THR 279 Ca -0.08 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.71 2roq s THR 279 Cb -0.01 -4.51 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 2roq s THR 279 CO 0.08 -0.96 0.18 -0.22 -0.69 0.00 0.00 174.62 173.01 2roq s LEU 280 N 4.04 4.26 0.09 4.42 2.96 -1.15 -0.19 118.68 133.12 2roq s LEU 280 Ca 0.39 0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 2roq s LEU 280 Cb -0.10 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 2roq s LEU 280 CO 0.26 0.18 -0.10 -0.36 -1.32 0.00 0.00 176.35 175.01 2roq s PHE 281 N -1.47 1.04 -0.20 5.38 0.40 -1.01 -2.76 117.98 119.36 2roq s PHE 281 Ca 0.33 -0.65 -0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2roq s PHE 281 Cb -0.13 -0.57 0.02 0.00 0.51 0.00 0.00 43.02 42.85 2roq s PHE 281 CO 0.26 -0.01 -0.14 0.14 0.70 0.00 0.00 175.22 176.17 2roq s VAL 282 N -2.39 2.43 -1.12 -0.44 -7.23 -0.98 -4.23 120.40 106.44 2roq s VAL 282 Ca 0.05 -0.93 -0.22 0.00 -1.81 0.00 0.00 61.98 59.07 2roq s VAL 282 Cb -0.03 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 2roq s VAL 282 CO -0.00 0.42 1.80 0.00 -0.31 0.00 0.00 175.10 177.01 2roq s ALA 283 N 1.31 2.31 0.53 1.32 0.00 -1.26 -2.93 121.76 123.04 2roq s ALA 283 Ca 0.03 -2.22 0.24 0.00 0.00 0.00 0.00 51.96 50.01 2roq s ALA 283 Cb -0.14 -4.62 1.38 0.00 0.00 0.00 0.00 23.12 19.74 2roq s ALA 283 CO -0.09 -4.37 2.02 1.49 0.00 0.00 0.00 175.76 174.80 2roq h GLU 284 N 9.55 0.00 0.00 0.00 4.81 -1.48 0.24 114.58 127.69 2roq h GLU 284 Ca 0.25 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2roq h GLU 284 Cb 0.95 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 2roq h GLU 284 CO 1.32 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 179.59 2roq h ARG 285 N 0.00 0.00 0.00 1.92 2.47 -1.75 -2.58 114.38 114.45 2roq h ARG 285 Ca 0.22 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.86 2roq h ARG 285 Cb 0.87 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.01 2roq h ARG 285 CO -0.00 0.01 -0.69 -2.37 0.56 0.00 0.00 179.97 177.47 2roq n THR 286 N -3.30 0.50 -1.58 2.04 5.66 0.63 -4.93 114.28 113.29 2roq n THR 286 Ca -0.03 -1.13 -0.48 0.00 -3.05 0.00 0.00 64.05 59.36 2roq n THR 286 Cb 0.10 0.55 -0.04 0.00 -1.55 0.00 0.00 70.33 69.39 2roq n THR 286 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roq n LEU 287 N -0.08 1.62 -3.46 1.09 -0.00 -0.00 -4.89 117.00 111.28 2roq n LEU 287 Ca 0.07 1.14 -0.37 0.00 -0.00 0.00 0.00 56.01 56.85 2roq n LEU 287 Cb 0.89 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 2roq n LEU 287 CO -0.02 -1.27 1.07 0.00 -0.00 0.00 0.00 177.39 177.16 2roq n GLN 288 N 1.70 4.79 -1.96 1.47 0.00 -1.26 -4.77 117.38 117.34 2roq n GLN 288 Ca 0.14 -4.72 -0.17 0.00 0.00 0.00 0.00 57.00 52.25 2roq n GLN 288 Cb 0.25 -2.41 -0.04 0.00 0.00 0.00 0.00 30.24 28.05 2roq n GLN 288 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2roq n GLU 289 N -0.05 -1.65 0.06 2.61 2.13 -1.26 -4.84 120.64 117.65 2roq n GLU 289 Ca 0.42 0.94 -0.17 0.00 0.66 0.00 0.00 57.16 59.01 2roq n GLU 289 Cb 0.30 -5.42 -0.14 0.00 0.27 0.00 0.00 31.44 26.45 2roq n GLU 289 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2roq h GLY 290 N 0.00 0.28 -7.15 8.31 0.00 -1.98 -3.43 103.07 99.11 2roq h GLY 290 Ca -0.39 -0.72 -0.65 0.00 0.00 0.00 0.00 47.33 45.58 2roq h GLY 290 CO 0.51 0.63 0.22 1.06 0.00 0.00 0.00 176.54 178.95 2roq s MET 291 N -2.62 3.30 0.15 4.80 -1.94 -1.26 -5.01 119.30 116.72 2roq s MET 291 Ca -0.08 -0.36 -0.20 0.00 -1.71 0.00 0.00 55.69 53.34 2roq s MET 291 Cb 0.07 -3.98 0.05 0.00 2.01 0.00 0.00 34.83 32.98 2roq s MET 291 CO 0.85 -1.11 0.52 -1.12 -0.01 0.00 0.00 175.02 174.15 2roq s SER 292 N 2.20 -0.40 0.26 3.03 0.01 -1.26 -5.05 113.70 112.48 2roq s SER 292 Ca 0.24 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.36 2roq s SER 292 Cb -0.14 0.55 0.33 0.00 0.21 0.00 0.00 66.02 66.97 2roq s SER 292 CO 0.19 -0.94 1.63 1.55 0.41 0.00 0.00 173.24 176.09 2roq h PRO 293 N 2.16 0.34 -4.19 12.44 0.13 -2.00 -3.39 132.00 137.50 2roq h PRO 293 Ca -0.33 -0.18 -0.72 0.00 -0.87 0.00 0.00 66.00 63.90 2roq h PRO 293 Cb 1.28 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.11 2roq h PRO 293 CO 0.41 0.73 -0.38 -1.21 -0.23 0.00 0.00 178.00 177.32 2roq s GLU 294 N -4.09 2.47 0.00 0.86 0.41 -1.26 -4.93 118.70 112.15 2roq s GLU 294 Ca -0.05 -1.96 0.00 0.00 -0.41 0.00 0.00 54.97 52.55 2roq s GLU 294 Cb 0.13 -3.86 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 2roq s GLU 294 CO 0.79 -1.17 0.00 0.54 -0.49 0.00 0.00 175.26 174.93 2roq n ARG 295 N 4.54 0.00 -2.71 1.61 1.74 -1.26 -4.99 116.66 115.58 2roq n ARG 295 Ca -0.03 0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 56.87 2roq n ARG 295 Cb 0.41 -0.30 0.02 0.00 -1.02 0.00 0.00 32.46 31.57 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2roq n ALA 296 N -2.03 -0.75 -3.65 7.54 0.00 -1.26 -4.96 120.51 115.40 2roq n ALA 296 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.65 2roq n ALA 296 Cb 0.00 -2.98 -0.06 0.00 0.00 0.00 0.00 19.45 16.41 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 -3.05 -0.18 -0.28 0.00 -0.11 -1.26 -5.19 118.94 108.87 2roq s TRP 297 Ca 0.17 0.38 -0.38 0.00 1.22 0.00 0.00 56.10 57.49 2roq s TRP 297 Cb -0.07 0.23 0.16 0.00 -1.50 0.00 0.00 33.47 32.28 2roq s TRP 297 CO 0.20 -0.09 1.38 -1.12 -4.62 0.00 0.00 176.95 172.71 2roq s SER 298 N 0.77 -0.01 1.02 5.86 0.01 -1.26 -5.18 113.70 114.91 2roq s SER 298 Ca -0.03 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 2roq s SER 298 Cb -0.03 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.23 2roq s SER 298 CO -0.12 -0.02 0.08 -0.81 0.41 0.00 0.00 173.24 172.77 2roq n PRO 299 N -0.04 -1.18 0.00 12.44 -0.04 -1.26 -5.06 135.00 139.86 2roq n PRO 299 Ca 0.04 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2roq n PRO 299 Cb 0.57 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 2roq n PRO 299 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2roq n TRP 300 N -2.68 0.00 -1.18 0.54 7.02 -1.26 -5.12 117.44 114.77 2roq n TRP 300 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 2roq n TRP 300 Cb 0.04 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 2roq n TRP 300 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2roq n ILE 301 N -1.72 -3.21 -0.03 -0.99 5.41 -1.26 -4.92 119.36 112.64 2roq n ILE 301 Ca 0.00 1.45 -0.00 0.00 1.00 0.00 0.00 62.75 65.20 2roq n ILE 301 Cb 0.00 -2.15 -0.00 0.00 -0.71 0.00 0.00 39.64 36.78 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2roq h ALA 302 N 0.69 0.00 -1.66 -1.39 0.00 -1.89 -3.49 119.26 111.51 2roq h ALA 302 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2roq h ALA 302 Cb 0.35 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.90 2roq h ALA 302 CO 0.00 0.01 0.35 -1.21 0.00 0.00 0.00 179.25 178.40 2roq s GLU 303 N -1.39 0.51 0.28 0.00 2.02 -1.20 -5.07 118.70 113.85 2roq s GLU 303 Ca -0.00 0.74 -0.21 0.00 0.02 0.00 0.00 54.97 55.51 2roq s GLU 303 Cb 0.00 0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.44 2roq s GLU 303 CO 0.01 -0.08 0.74 -0.48 0.02 0.00 0.00 175.26 175.46 2roq s LEU 304 N 0.84 -0.24 -0.39 1.80 0.05 -1.26 -3.45 118.68 116.03 2roq s LEU 304 Ca -0.03 -0.63 0.02 0.00 0.05 0.00 0.00 54.13 53.53 2roq s LEU 304 Cb -0.04 2.71 0.11 0.00 -2.05 0.00 0.00 46.19 46.91 2roq s LEU 304 CO -0.11 -1.35 0.13 -0.62 -0.55 0.00 0.00 176.35 173.85 2roq s ASP 305 N -2.93 4.90 0.10 1.48 -1.08 -1.22 -4.97 116.67 112.95 2roq s ASP 305 Ca 0.11 -2.22 -0.29 0.00 -0.52 0.00 0.00 52.55 49.64 2roq s ASP 305 Cb -0.06 -1.70 -0.06 0.00 -1.46 0.00 0.00 42.92 39.64 2roq s ASP 305 CO 0.07 -0.42 0.91 -0.63 0.52 0.00 0.00 175.17 175.62 2roq s ILE 306 N 0.84 4.54 -0.08 4.11 1.01 -1.25 -2.96 121.20 127.42 2roq s ILE 306 Ca 0.11 1.96 0.01 0.00 0.00 0.00 0.00 60.65 62.73 2roq s ILE 306 Cb -0.21 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.01 2roq s ILE 306 CO -0.06 0.34 -0.10 -0.31 0.00 0.00 0.00 174.94 174.81 2roq s TYR 307 N -0.07 1.43 -0.32 3.97 1.51 -1.11 -5.01 117.35 117.75 2roq s TYR 307 Ca 0.45 -0.60 -0.26 0.00 -1.01 0.00 0.00 57.07 55.65 2roq s TYR 307 Cb -0.23 -1.11 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 2roq s TYR 307 CO 0.28 -0.37 0.90 -0.98 -1.11 0.00 0.00 175.55 174.28 2roq s ARG 308 N 1.08 3.98 -0.16 -0.62 3.03 -1.26 -2.31 118.95 122.70 2roq s ARG 308 Ca -0.07 0.76 -0.06 0.00 2.03 0.00 0.00 55.73 58.38 2roq s ARG 308 Cb -0.14 -3.74 0.07 0.00 -1.03 0.00 0.00 34.95 30.11 2roq s ARG 308 CO -0.01 -0.78 0.34 -1.14 -1.13 0.00 0.00 175.30 172.57 2roq s GLN 309 N 3.25 0.26 -0.85 3.89 2.00 -1.15 -5.01 119.66 122.05 2roq s GLN 309 Ca 0.37 0.82 -0.25 0.00 -2.00 0.00 0.00 55.36 54.31 2roq s GLN 309 Cb -0.13 0.08 -0.02 0.00 0.80 0.00 0.00 33.01 33.74 2roq s GLN 309 CO 0.14 -0.23 1.77 0.16 -0.50 0.00 0.00 175.29 176.63 2roq s ASP 310 N 2.11 5.53 0.22 6.67 -4.77 -1.26 -1.62 116.67 123.55 2roq s ASP 310 Ca -0.03 -0.60 -0.12 0.00 -3.30 0.00 0.00 52.55 48.50 2roq s ASP 310 Cb -0.11 -2.56 -0.00 0.00 -1.09 0.00 0.00 42.92 39.16 2roq s ASP 310 CO -0.11 -2.34 0.41 0.00 0.70 0.00 0.00 175.17 173.84 2roq s ALA 312 N -4.00 2.76 0.58 0.00 0.00 -1.26 -3.75 121.76 116.08 2roq s ALA 312 Ca 0.20 -1.96 0.29 0.00 0.00 0.00 0.00 51.96 50.50 2roq s ALA 312 Cb 0.01 -0.12 1.46 0.00 0.00 0.00 0.00 23.12 24.47 2roq s ALA 312 CO 0.05 0.15 1.88 0.45 0.00 0.00 0.00 175.76 178.29 2roq h HIS 313 N 2.18 0.00 0.00 0.00 3.86 -1.96 0.26 115.15 119.49 2roq h HIS 313 Ca -0.41 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.44 2roq h HIS 313 Cb 1.25 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.65 2roq h HIS 313 CO 0.77 0.00 -2.38 1.33 0.86 0.00 0.00 177.93 178.51 2roq n VAL 314 N -3.85 1.38 0.33 2.45 0.24 -1.26 -4.28 118.33 113.34 2roq n VAL 314 Ca 0.11 -0.76 0.15 0.00 -2.04 0.00 0.00 64.34 61.81 2roq n VAL 314 Cb 0.76 -0.73 0.60 0.00 -1.47 0.00 0.00 33.84 33.00 2roq n VAL 314 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2roq h ASP 315 N 0.00 0.00 0.67 -1.34 5.19 -1.51 -2.78 116.42 116.64 2roq h ASP 315 Ca -0.55 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.68 2roq h ASP 315 Cb 2.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.62 2roq h ASP 315 CO -0.00 0.00 -0.84 0.40 -3.12 0.00 0.00 179.24 175.68 2roq h ILE 316 N 0.00 1.52 -0.01 0.35 1.08 -0.74 -3.01 117.51 116.70 2roq h ILE 316 Ca 0.00 -2.65 0.00 0.00 -0.39 0.00 0.00 64.86 61.82 2roq h ILE 316 Cb 0.48 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.69 2roq h ILE 316 CO 0.00 0.77 0.00 0.00 -0.69 0.00 0.00 178.15 178.23 2roq n ILE 317 N -3.63 0.01 -1.08 -0.67 0.13 -1.05 -4.48 119.36 108.59 2roq n ILE 317 Ca -0.02 -0.07 -0.30 0.00 -1.10 0.00 0.00 62.75 61.26 2roq n ILE 317 Cb 0.79 -0.23 0.13 0.00 -0.84 0.00 0.00 39.64 39.49 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 -1.88 3.60 0.00 9.51 1.04 -1.14 -4.90 113.70 119.93 2roq s SER 318 Ca 0.41 1.76 0.15 0.00 0.48 0.00 0.00 55.95 58.75 2roq s SER 318 Cb 0.20 -2.39 0.73 0.00 0.10 0.00 0.00 66.02 64.65 2roq s SER 318 CO 0.32 -2.60 1.41 -0.81 0.98 0.00 0.00 173.24 172.55 2roq n PRO 319 N -3.88 0.18 -0.03 4.02 -0.04 -1.26 -2.79 135.00 131.20 2roq n PRO 319 Ca 0.08 0.16 -0.16 0.00 -0.04 0.00 0.00 63.50 63.54 2roq n PRO 319 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.68 0.17 0.55 0.00 -1.26 -3.59 105.19 100.34 2roq n GLY 320 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 45.90 2roq n GLY 320 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2roq h THR 321 N 0.04 1.18 0.00 2.61 2.02 -1.75 -2.08 112.91 114.93 2roq h THR 321 Ca -0.42 -1.67 -0.07 0.00 0.77 0.00 0.00 66.41 65.02 2roq h THR 321 Cb 2.03 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 70.37 2roq h THR 321 CO 0.05 0.45 -0.36 -0.26 0.37 0.00 0.00 175.52 175.77 2roq h PHE 322 N 0.00 0.00 0.11 3.16 0.04 -1.72 -1.53 116.94 117.00 2roq h PHE 322 Ca -0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 2roq h PHE 322 Cb 0.90 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.07 2roq h PHE 322 CO 0.00 0.31 -0.84 0.93 -0.60 0.00 0.00 178.31 178.11 2roq h GLU 323 N 0.00 0.23 -0.04 1.51 5.08 -1.56 -3.34 114.58 116.47 2roq h GLU 323 Ca -0.01 -0.40 -0.21 0.00 -1.00 0.00 0.00 59.36 57.74 2roq h GLU 323 Cb 1.24 0.15 0.02 0.00 0.50 0.00 0.00 28.75 30.65 2roq h GLU 323 CO 0.04 1.19 -0.81 1.57 -1.00 0.00 0.00 179.01 180.00 2roq h LYS 324 N -0.48 0.62 -2.25 2.33 2.10 -1.49 -3.31 116.57 114.10 2roq h LYS 324 Ca -0.16 -0.61 -0.55 0.00 -2.00 0.00 0.00 60.65 57.33 2roq h LYS 324 Cb 1.56 0.16 -0.13 0.00 -0.90 0.00 0.00 32.23 32.91 2roq h LYS 324 CO 0.10 1.22 1.14 -0.89 -2.00 0.00 0.00 179.45 179.01 2roq n ILE 325 N -4.02 3.95 0.00 0.07 5.41 -0.58 -4.53 119.36 119.66 2roq n ILE 325 Ca -0.10 -3.20 0.00 0.00 1.00 0.00 0.00 62.75 60.45 2roq n ILE 325 Cb 0.77 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 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 1.50 -0.47 0.00 7.39 0.00 -1.25 -4.04 105.19 108.32 2roq n GLY 326 Ca 0.54 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.63 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 -2.36 0.12 -0.02 1.61 -0.04 -1.26 -1.72 135.00 131.32 2roq n PRO 327 Ca 0.00 0.19 -0.16 0.00 -0.04 0.00 0.00 63.50 63.49 2roq n PRO 327 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 2roq n PRO 327 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2roq n ILE 328 N -1.38 1.68 0.04 0.52 0.00 -1.26 -3.35 119.36 115.60 2roq n ILE 328 Ca 0.05 -0.71 -0.10 0.00 0.00 0.00 0.00 62.75 62.00 2roq n ILE 328 Cb 0.14 -1.39 -0.13 0.00 0.00 0.00 0.00 39.64 38.26 2roq n ILE 328 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 2roq h ILE 329 N 0.04 1.32 -0.01 9.51 -0.00 -1.64 -3.13 117.51 123.60 2roq h ILE 329 Ca -0.40 -3.06 -0.16 0.00 -0.00 0.00 0.00 64.86 61.25 2roq h ILE 329 Cb 2.03 2.69 -0.02 0.00 -0.00 0.00 0.00 36.82 41.53 2roq h ILE 329 CO 0.07 0.79 -0.73 0.08 -0.00 0.00 0.00 178.15 178.35 2roq h ARG 330 N 0.02 0.05 -0.14 2.19 0.11 -1.52 -2.13 114.38 112.97 2roq h ARG 330 Ca -0.15 -0.05 -0.23 0.00 0.10 0.00 0.00 59.98 59.65 2roq h ARG 330 Cb 1.90 0.01 0.01 0.00 1.11 0.00 0.00 29.97 33.01 2roq h ARG 330 CO 0.12 0.76 -0.81 0.00 0.10 0.00 0.00 179.97 180.14 2roq h ALA 331 N 1.23 0.28 -0.22 0.08 0.00 -1.65 -1.82 119.26 117.15 2roq h ALA 331 Ca -0.01 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 54.11 2roq h ALA 331 Cb 1.29 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2roq h ALA 331 CO 0.10 0.68 -0.57 0.00 0.00 0.00 0.00 179.25 179.46 2roq h THR 332 N 0.52 1.30 0.00 0.00 1.03 -1.55 -1.84 112.91 112.37 2roq h THR 332 Ca -0.06 -1.80 -0.01 0.00 -0.01 0.00 0.00 66.41 64.54 2roq h THR 332 Cb 1.44 1.74 -0.00 0.00 -1.07 0.00 0.00 68.15 70.26 2roq h THR 332 CO 0.17 0.57 -0.02 -0.07 -0.01 0.00 0.00 175.52 176.15 2roq h LEU 333 N 0.53 0.00 0.00 0.00 3.38 -1.43 -2.12 115.31 115.68 2roq h LEU 333 Ca 0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 2roq h LEU 333 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2roq h LEU 333 CO 0.12 0.02 -1.35 0.78 0.09 0.00 0.00 178.44 178.10 2roq h ASN 334 N 0.00 0.00 0.81 -0.43 -0.26 -1.17 -2.13 115.58 112.40 2roq h ASN 334 Ca -0.00 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.50 2roq h ASN 334 Cb 0.80 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.03 2roq h ASN 334 CO 0.00 0.92 -1.23 0.08 -1.06 0.00 0.00 177.43 176.15 2roq h ARG 335 N 0.00 0.04 0.00 0.81 0.11 -1.26 -3.32 114.38 110.76 2roq h ARG 335 Ca -0.16 -0.06 -0.16 0.00 0.10 0.00 0.00 59.98 59.69 2roq h ARG 335 Cb 1.84 0.02 -0.03 0.00 1.11 0.00 0.00 29.97 32.92 2roq h ARG 335 CO 0.09 0.90 -1.23 1.37 0.10 0.00 0.00 179.97 181.20 2roq h LEU 336 N 0.01 0.00 -0.83 0.08 8.10 -1.50 -3.34 115.31 117.83 2roq h LEU 336 Ca -0.10 0.00 0.15 0.00 0.11 0.00 0.00 57.88 58.04 2roq h LEU 336 Cb 1.86 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 41.98 2roq h LEU 336 CO 0.12 0.61 0.40 -0.33 -4.11 0.00 0.00 178.44 175.13 2roq h GLU 337 N 0.00 0.53 0.00 0.17 5.08 -1.48 -3.44 114.58 115.44 2roq h GLU 337 Ca -0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2roq h GLU 337 Cb 1.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2roq h GLU 337 CO 0.06 0.35 0.00 1.58 -1.00 0.00 0.00 179.01 180.00 2roq n HIS 338 N -4.93 -3.50 -4.22 4.33 -0.00 -1.26 -4.98 115.22 100.66 2roq n HIS 338 Ca 0.17 0.87 -0.17 0.00 -0.00 0.00 0.00 57.72 58.59 2roq n HIS 338 Cb 0.46 2.36 -0.08 0.00 -0.00 0.00 0.00 29.99 32.73 2roq n HIS 338 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2roq s HIS 339 N -1.72 1.48 -0.02 1.57 3.76 -1.25 -5.04 115.29 114.07 2roq s HIS 339 Ca 0.00 -1.52 -0.19 0.00 -0.15 0.00 0.00 55.06 53.20 2roq s HIS 339 Cb 0.00 -0.54 -0.11 0.00 1.11 0.00 0.00 32.58 33.03 2roq s HIS 339 CO 0.00 -0.89 0.82 0.45 -0.85 0.00 0.00 174.74 174.27 2roq h HIS 340 N 2.22 -0.55 -5.96 1.40 -0.00 -1.79 -3.34 115.15 107.13 2roq h HIS 340 Ca -0.28 -0.01 -0.38 0.00 -0.00 0.00 0.00 60.37 59.70 2roq h HIS 340 Cb 1.24 0.18 0.11 0.00 -0.00 0.00 0.00 27.41 28.94 2roq h HIS 340 CO 1.39 -0.28 -0.88 1.58 -0.00 0.00 0.00 177.93 179.74 2roq n HIS 341 N -5.17 -2.07 -2.83 2.45 -0.00 -1.26 -4.71 115.22 101.63 2roq n HIS 341 Ca -0.08 0.68 -0.30 0.00 -0.00 0.00 0.00 57.72 58.01 2roq n HIS 341 Cb 0.26 -3.92 -0.03 0.00 -0.00 0.00 0.00 29.99 26.30 2roq n HIS 341 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2roq s HIS 342 N -3.50 3.47 -2.53 1.57 -3.43 -1.26 -5.14 115.29 104.47 2roq s HIS 342 Ca 0.33 1.08 0.28 0.00 -0.80 0.00 0.00 55.06 55.94 2roq s HIS 342 Cb -0.09 -2.47 1.01 0.00 -1.43 0.00 0.00 32.58 29.60 2roq s HIS 342 CO 0.81 -0.12 1.72 1.58 -2.00 0.00 0.00 174.74 176.73