#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 2.20 1.10 4.03 1.43 -1.26 -5.17 118.68 121.02 2roq s LEU 2 Ca 0.00 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.09 2roq s LEU 2 Cb 0.00 0.39 0.24 0.00 0.03 0.00 0.00 46.19 46.85 2roq s LEU 2 CO 0.00 -0.60 1.10 -2.16 0.23 0.00 0.00 176.35 174.92 2roq s PRO 3 N -3.64 -0.38 0.36 1.29 0.04 -1.26 -5.05 135.00 126.35 2roq s PRO 3 Ca 0.04 0.24 -0.02 0.00 0.04 0.00 0.00 61.00 61.30 2roq s PRO 3 Cb 0.05 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2roq s PRO 3 CO -0.09 -3.22 0.60 -1.21 0.04 0.00 0.00 177.00 173.12 2roq s GLU 4 N -5.16 3.53 0.16 4.56 0.41 -1.26 -5.01 118.70 115.93 2roq s GLU 4 Ca 0.68 -0.13 -0.19 0.00 -0.41 0.00 0.00 54.97 54.91 2roq s GLU 4 Cb -0.15 -2.60 0.06 0.00 -1.78 0.00 0.00 34.13 29.67 2roq s GLU 4 CO 0.57 0.09 1.65 -0.07 -0.49 0.00 0.00 175.26 177.01 2roq h LEU 5 N 0.87 -0.53 0.00 1.80 3.38 -2.07 -3.44 115.31 115.32 2roq h LEU 5 Ca -0.49 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2roq h LEU 5 Cb 1.21 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2roq h LEU 5 CO 0.63 -0.19 0.00 0.29 0.09 0.00 0.00 178.44 179.25 2roq n LYS 6 N -5.33 0.00 -3.60 1.13 5.02 -1.26 -5.16 118.16 108.95 2roq n LYS 6 Ca 0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2roq n LYS 6 Cb 0.25 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.22 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2roq s ALA 7 N -2.00 -2.04 -0.19 7.82 0.00 -1.26 -5.15 121.76 118.93 2roq s ALA 7 Ca 0.00 1.68 -0.02 0.00 0.00 0.00 0.00 51.96 53.62 2roq s ALA 7 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2roq s ALA 7 CO 0.00 -0.39 -0.11 1.14 0.00 0.00 0.00 175.76 176.40 2roq s GLN 8 N -1.56 3.24 -0.01 0.00 0.00 -1.26 -5.03 119.66 115.04 2roq s GLN 8 Ca 0.06 -0.70 -0.19 0.00 -0.00 0.00 0.00 55.36 54.53 2roq s GLN 8 Cb -0.01 -2.81 -0.10 0.00 0.00 0.00 0.00 33.01 30.09 2roq s GLN 8 CO -0.04 -0.15 0.82 0.00 0.00 0.00 0.00 175.29 175.91 2roq h ALA 9 N 7.87 -0.72 -0.19 2.60 0.00 -2.03 -3.35 119.26 123.44 2roq h ALA 9 Ca -0.41 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2roq h ALA 9 Cb 1.16 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2roq h ALA 9 CO 0.61 -0.67 -0.18 -1.00 0.00 0.00 0.00 179.25 178.01 2roq h PRO 10 N -1.10 0.45 -3.22 0.00 0.13 -1.98 -3.49 132.00 122.80 2roq h PRO 10 Ca -0.07 -0.24 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2roq h PRO 10 Cb 0.51 0.01 0.04 0.00 0.13 0.00 0.00 31.00 31.69 2roq h PRO 10 CO 0.11 0.80 -0.18 0.41 -0.23 0.00 0.00 178.00 178.92 2roq n GLY 11 N 0.18 0.37 3.80 1.56 0.00 -1.26 -3.74 105.19 106.10 2roq n GLY 11 Ca -0.05 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.74 2.62 0.27 1.61 3.03 -1.26 -0.10 118.95 121.38 2roq s ARG 12 Ca 0.06 0.97 0.09 0.00 2.03 0.00 0.00 55.73 58.88 2roq s ARG 12 Cb -0.01 -1.95 -0.04 0.00 -1.03 0.00 0.00 34.95 31.92 2roq s ARG 12 CO 0.16 -1.33 0.04 0.00 -1.13 0.00 0.00 175.30 173.05 2roq s ALA 13 N -3.02 3.27 0.23 7.88 0.00 -1.26 -4.47 121.76 124.39 2roq s ALA 13 Ca 0.59 -1.64 0.22 0.00 0.00 0.00 0.00 51.96 51.14 2roq s ALA 13 Cb -0.15 -0.84 0.97 0.00 0.00 0.00 0.00 23.12 23.09 2roq s ALA 13 CO 0.55 0.24 1.86 -1.00 0.00 0.00 0.00 175.76 177.41 2roq h PRO 14 N 1.79 0.00 -5.83 0.00 0.13 -1.97 -3.47 132.00 122.64 2roq h PRO 14 Ca -0.45 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 2roq h PRO 14 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2roq h PRO 14 CO 0.61 0.25 -0.75 1.63 -0.23 0.00 0.00 178.00 179.51 2roq n LYS 15 N -3.54 -2.10 -0.06 0.86 5.02 -1.26 -4.95 118.16 112.13 2roq n LYS 15 Ca -0.01 1.75 -0.01 0.00 -2.02 0.00 0.00 58.31 58.03 2roq n LYS 15 Cb 0.40 -4.20 -0.16 0.00 -0.02 0.00 0.00 35.03 31.05 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2roq n ALA 16 N -0.51 2.08 0.00 7.82 0.00 -1.26 -4.61 120.51 124.04 2roq n ALA 16 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2roq n ALA 16 Cb 0.56 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 1.53 -0.17 0.13 0.00 0.00 -1.26 -4.92 105.19 100.50 2roq n GLY 17 Ca -0.20 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 0.35 0.34 1.61 0.02 -1.95 -3.23 113.55 110.69 2roq h SER 18 Ca 0.00 -0.30 -0.32 0.00 -0.84 0.00 0.00 61.79 60.32 2roq h SER 18 Cb 0.00 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2roq h SER 18 CO 0.00 1.14 -1.80 -0.33 -1.14 0.00 0.00 176.83 174.70 2roq h GLU 19 N 0.13 0.15 -0.82 3.45 3.07 -1.93 -3.36 114.58 115.27 2roq h GLU 19 Ca -0.07 -0.25 0.14 0.00 -0.50 0.00 0.00 59.36 58.68 2roq h GLU 19 Cb 1.63 0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 29.58 2roq h GLU 19 CO 0.16 0.89 0.54 1.15 -1.40 0.00 0.00 179.01 180.34 2roq h THR 20 N 0.04 0.82 0.00 1.13 2.02 -1.82 0.27 112.91 115.38 2roq h THR 20 Ca -0.33 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2roq h THR 20 Cb 2.02 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2roq h THR 20 CO 0.10 0.10 -0.20 0.16 0.37 0.00 0.00 175.52 176.05 2roq h ILE 21 N 0.56 0.44 0.12 3.11 3.07 -1.70 -1.60 117.51 121.51 2roq h ILE 21 Ca 0.40 -1.14 -0.01 0.00 1.55 0.00 0.00 64.86 65.67 2roq h ILE 21 Cb 0.77 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.15 2roq h ILE 21 CO -0.16 0.19 -0.06 0.40 -1.05 0.00 0.00 178.15 177.48 2roq h ILE 22 N 0.00 0.73 -0.26 0.16 1.08 -0.63 -2.14 117.51 116.45 2roq h ILE 22 Ca -0.00 -1.27 -0.08 0.00 -0.39 0.00 0.00 64.86 63.12 2roq h ILE 22 Cb 0.81 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 2roq h ILE 22 CO 0.03 0.22 -0.16 0.00 -0.69 0.00 0.00 178.15 177.54 2roq h ALA 23 N -0.50 1.23 -0.36 1.87 0.00 -1.45 -1.82 119.26 118.24 2roq h ALA 23 Ca -0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2roq h ALA 23 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2roq h ALA 23 CO 0.03 0.50 -0.37 0.00 0.00 0.00 0.00 179.25 179.41 2roq h ALA 24 N 1.41 0.67 0.00 0.00 0.00 -1.39 -2.09 119.26 117.86 2roq h ALA 24 Ca 0.07 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 2roq h ALA 24 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2roq h ALA 24 CO 0.03 0.67 -0.31 0.00 0.00 0.00 0.00 179.25 179.65 2roq h ALA 25 N 0.88 0.96 0.02 0.00 0.00 -1.15 -0.88 119.26 119.09 2roq h ALA 25 Ca 0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2roq h ALA 25 Cb 0.94 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2roq h ALA 25 CO 0.09 0.38 -0.42 0.74 0.00 0.00 0.00 179.25 180.04 2roq h PHE 26 N 0.00 0.38 0.00 0.00 0.04 -1.15 -1.45 116.94 114.76 2roq h PHE 26 Ca -0.00 -0.22 -0.10 0.00 2.80 0.00 0.00 57.97 60.44 2roq h PHE 26 Cb 0.90 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 2roq h PHE 26 CO 0.00 1.06 -0.49 0.66 -0.60 0.00 0.00 178.31 178.94 2roq h SER 27 N -0.41 0.00 0.35 2.17 4.64 -1.40 0.13 113.55 119.04 2roq h SER 27 Ca -0.06 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.95 2roq h SER 27 Cb 1.19 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2roq h SER 27 CO 0.08 0.49 -1.38 -1.28 -0.87 0.00 0.00 176.83 173.87 2roq h SER 28 N 0.00 0.73 0.00 4.97 0.87 -1.23 -1.31 113.55 117.58 2roq h SER 28 Ca -0.00 -0.76 -0.05 0.00 -1.23 0.00 0.00 61.79 59.74 2roq h SER 28 Cb 1.14 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2roq h SER 28 CO 0.06 1.59 -0.32 -0.07 -0.53 0.00 0.00 176.83 177.57 2roq h LEU 29 N 0.14 0.00 0.00 2.23 3.38 -1.27 -3.32 115.31 116.47 2roq h LEU 29 Ca -0.21 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2roq h LEU 29 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 2roq h LEU 29 CO 0.25 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.92 2roq n LEU 30 N -4.62 0.00 -3.79 1.67 4.77 0.46 -4.89 117.00 110.61 2roq n LEU 30 Ca -0.12 0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.87 2roq n LEU 30 Cb 0.38 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2roq n LEU 30 CO 0.20 -0.06 0.09 0.61 -1.33 0.00 0.00 177.39 176.90 2roq n GLY 31 N 0.74 -0.50 0.00 -0.72 0.00 -0.54 -4.96 105.19 99.21 2roq n GLY 31 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.24 7.56 -4.57 0.00 -0.08 -1.26 -4.43 116.55 112.53 2roq n ASP 33 Ca 0.00 -3.82 -0.42 0.00 -1.51 0.00 0.00 54.79 49.04 2roq n ASP 33 Cb 0.00 -1.03 -0.03 0.00 2.34 0.00 0.00 41.12 42.40 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2roq s VAL 34 N -5.00 3.89 -0.19 5.18 1.01 -1.26 -4.79 120.40 119.24 2roq s VAL 34 Ca 0.56 0.69 0.23 0.00 0.00 0.00 0.00 61.98 63.47 2roq s VAL 34 Cb 0.46 -4.81 0.47 0.00 0.00 0.00 0.00 36.38 32.51 2roq s VAL 34 CO -0.28 -1.56 1.15 0.00 0.00 0.00 0.00 175.10 174.41 2roq n GLN 35 N 8.84 1.19 -2.46 2.72 6.02 -1.26 -4.01 117.38 128.42 2roq n GLN 35 Ca 0.06 -2.91 -0.08 0.00 -0.01 0.00 0.00 57.00 54.07 2roq n GLN 35 Cb 0.49 -1.00 -0.01 0.00 1.02 0.00 0.00 30.24 30.74 2roq n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2roq n ASP 36 N -0.33 2.00 -0.00 1.08 9.92 -1.26 -4.49 116.55 123.46 2roq n ASP 36 Ca 0.05 -1.55 0.01 0.00 -0.53 0.00 0.00 54.79 52.76 2roq n ASP 36 Cb 0.90 0.05 -0.01 0.00 -0.64 0.00 0.00 41.12 41.42 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2roq n ALA 37 N -2.62 2.10 -1.42 2.24 0.00 0.86 -4.41 120.51 117.26 2roq n ALA 37 Ca -0.05 -0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 2roq n ALA 37 Cb 0.17 -0.04 0.13 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.26 4.81 -4.57 0.00 -0.08 -0.25 -0.41 116.55 114.79 2roq n ASP 38 Ca 0.00 -3.73 -0.41 0.00 -1.51 0.00 0.00 54.79 49.14 2roq n ASP 38 Cb 0.02 -0.77 -0.08 0.00 2.34 0.00 0.00 41.12 42.63 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roq s ALA 39 N -3.49 3.51 -0.10 -1.67 0.00 -1.26 -4.87 121.76 113.88 2roq s ALA 39 Ca 0.56 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 2roq s ALA 39 Cb 0.46 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 2roq s ALA 39 CO 0.03 -1.03 0.74 0.34 0.00 0.00 0.00 175.76 175.85 2roq s ASP 40 N 1.70 6.97 0.35 0.00 -1.08 -1.26 -1.57 116.67 121.77 2roq s ASP 40 Ca 0.18 1.17 0.16 0.00 -0.52 0.00 0.00 52.55 53.54 2roq s ASP 40 Cb -0.16 -2.42 1.15 0.00 -1.46 0.00 0.00 42.92 40.03 2roq s ASP 40 CO 0.12 -0.20 1.64 0.15 0.52 0.00 0.00 175.17 177.39 2roq h PHE 41 N 6.96 0.87 0.41 -5.34 3.04 -1.82 0.28 116.94 121.35 2roq h PHE 41 Ca -0.37 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.60 2roq h PHE 41 Cb 1.18 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 2roq h PHE 41 CO 0.67 -0.27 -0.32 0.74 -2.02 0.00 0.00 178.31 177.12 2roq h PHE 42 N 0.23 -0.86 0.00 0.41 0.04 -1.92 0.36 116.94 115.19 2roq h PHE 42 Ca 0.76 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.53 2roq h PHE 42 Cb 1.81 0.32 0.00 0.00 2.20 0.00 0.00 35.95 40.28 2roq h PHE 42 CO -0.02 -0.45 0.00 0.00 -0.60 0.00 0.00 178.31 177.24 2roq n ALA 43 N -2.55 1.37 0.09 2.45 0.00 -0.36 -1.55 120.51 119.96 2roq n ALA 43 Ca -0.09 0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.48 2roq n ALA 43 Cb 0.31 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 0.29 -3.35 115.31 115.63 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 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2roq h LEU 44 CO 0.00 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.69 2roq n GLY 45 N 1.30 0.98 3.49 0.83 0.00 0.36 -4.83 105.19 107.33 2roq n GLY 45 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2roq n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2roq n GLY 46 N 0.00 -1.53 2.64 -0.02 0.00 0.10 -4.66 105.19 101.73 2roq n GLY 46 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.30 2roq n GLY 46 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2roq n HIS 47 N -3.88 -0.06 0.03 1.61 -0.00 -1.26 -3.66 115.22 108.01 2roq n HIS 47 Ca 0.08 -0.35 -0.08 0.00 0.46 0.00 0.00 57.72 57.82 2roq n HIS 47 Cb 0.53 0.15 0.07 0.00 -0.12 0.00 0.00 29.99 30.63 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq h ALA 48 N 2.00 0.73 0.09 1.57 0.00 -1.95 -1.62 119.26 120.08 2roq h ALA 48 Ca -0.13 -0.53 -0.35 0.00 0.00 0.00 0.00 54.91 53.90 2roq h ALA 48 Cb 0.77 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2roq h ALA 48 CO 0.19 0.70 -1.99 1.28 0.00 0.00 0.00 179.25 179.44 2roq n LEU 49 N -3.92 2.31 0.02 0.00 4.77 -1.26 -3.12 117.00 115.80 2roq n LEU 49 Ca -0.03 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 2roq n LEU 49 Cb 0.62 -0.86 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 2roq n LEU 49 CO 0.46 0.78 0.76 -0.07 -1.33 0.00 0.00 177.39 177.99 2roq h LEU 50 N 0.05 -0.01 -1.26 2.23 -0.00 -1.89 0.25 115.31 114.70 2roq h LEU 50 Ca -0.41 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 57.22 2roq h LEU 50 Cb 2.03 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.68 2roq h LEU 50 CO 0.07 0.22 -0.15 0.00 -0.00 0.00 0.00 178.44 178.58 2roq h ALA 51 N 0.76 1.03 0.05 1.53 0.00 -1.49 -2.16 119.26 118.98 2roq h ALA 51 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2roq h ALA 51 Cb 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2roq h ALA 51 CO 0.00 0.18 -0.29 1.98 0.00 0.00 0.00 179.25 181.12 2roq h MET 52 N 0.00 0.10 -0.45 0.00 1.85 -1.43 -1.60 114.93 113.40 2roq h MET 52 Ca -0.00 -0.17 -0.05 0.00 -0.61 0.00 0.00 59.70 58.87 2roq h MET 52 Cb 0.65 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.72 2roq h MET 52 CO 0.02 1.08 0.08 -0.22 -0.40 0.00 0.00 176.91 177.47 2roq h LYS 53 N -0.79 0.68 0.03 0.39 3.64 -0.48 -2.17 116.57 117.87 2roq h LYS 53 Ca -0.05 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2roq h LYS 53 Cb 1.22 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2roq h LYS 53 CO 0.05 0.65 -0.01 1.25 -2.27 0.00 0.00 179.45 179.11 2roq h LEU 54 N 0.66 -0.03 -1.21 5.20 6.46 -1.50 -2.07 115.31 122.82 2roq h LEU 54 Ca 0.15 -0.70 0.22 0.00 -0.12 0.00 0.00 57.88 57.43 2roq h LEU 54 Cb 0.29 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.14 2roq h LEU 54 CO 0.00 0.73 0.62 0.00 -0.62 0.00 0.00 178.44 179.17 2roq h ALA 55 N 0.04 1.95 0.03 1.25 0.00 -1.23 0.38 119.26 121.67 2roq h ALA 55 Ca -0.00 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 2roq h ALA 55 Cb 0.72 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2roq h ALA 55 CO 0.01 -0.32 -1.01 0.00 0.00 0.00 0.00 179.25 177.92 2roq h ALA 56 N 1.64 0.36 -0.18 0.00 0.00 -1.45 -2.14 119.26 117.48 2roq h ALA 56 Ca 0.57 -0.86 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 2roq h ALA 56 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2roq h ALA 56 CO -0.32 1.13 -0.64 0.37 0.00 0.00 0.00 179.25 179.78 2roq h GLN 57 N 0.03 0.67 0.01 0.00 4.15 0.06 -2.22 115.11 117.81 2roq h GLN 57 Ca -0.04 -0.48 -0.12 0.00 0.77 0.00 0.00 58.65 58.78 2roq h GLN 57 Cb 1.74 0.08 0.01 0.00 0.21 0.00 0.00 27.48 29.52 2roq h GLN 57 CO 0.14 1.10 -0.47 -0.07 -1.93 0.00 0.00 178.83 177.60 2roq h LEU 58 N 0.49 0.41 -1.56 -2.39 3.38 -0.48 -1.26 115.31 113.90 2roq h LEU 58 Ca -0.01 -0.78 -0.00 0.00 0.09 0.00 0.00 57.88 57.17 2roq h LEU 58 Cb 1.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2roq h LEU 58 CO 0.13 1.14 0.23 0.77 0.09 0.00 0.00 178.44 180.79 2roq h SER 59 N -0.28 0.46 1.20 -0.43 4.64 -1.45 0.30 113.55 118.00 2roq h SER 59 Ca -0.06 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.12 2roq h SER 59 Cb 1.21 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2roq h SER 59 CO 0.09 0.36 -0.84 0.08 -0.87 0.00 0.00 176.83 175.66 2roq h ARG 60 N 0.54 0.00 0.00 4.77 0.11 -1.44 -0.27 114.38 118.08 2roq h ARG 60 Ca 0.14 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.16 2roq h ARG 60 Cb -0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 2roq h ARG 60 CO -0.03 0.41 -0.64 1.96 0.10 0.00 0.00 179.97 181.77 2roq h GLN 61 N 0.00 0.00 -0.02 0.08 1.08 -0.26 -3.27 115.11 112.72 2roq h GLN 61 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2roq h GLN 61 Cb 1.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 2roq h GLN 61 CO 0.06 0.20 -0.31 1.33 -0.95 0.00 0.00 178.83 179.16 2roq n VAL 62 N -3.00 0.00 -1.73 -0.54 0.24 0.97 -4.96 118.33 109.31 2roq n VAL 62 Ca -0.00 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.34 61.80 2roq n VAL 62 Cb 0.65 1.30 -0.04 0.00 -1.47 0.00 0.00 33.84 34.28 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 0.32 -0.30 -4.23 2.33 0.00 -0.93 -4.98 120.51 112.71 2roq n ALA 63 Ca 0.10 0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 2roq n ALA 63 Cb 0.46 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.52 1.23 -3.97 0.00 3.00 -0.16 -5.02 116.66 109.22 2roq n ARG 64 Ca -0.16 -1.71 -0.30 0.00 -0.00 0.00 0.00 57.85 55.67 2roq n ARG 64 Cb 0.54 0.59 -0.14 0.00 0.00 0.00 0.00 32.46 33.45 2roq n ARG 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2roq s GLN 65 N -2.83 1.70 0.42 -0.14 -1.52 -1.26 -4.30 119.66 111.73 2roq s GLN 65 Ca 0.03 -2.23 -0.17 0.00 -1.95 0.00 0.00 55.36 51.04 2roq s GLN 65 Cb 0.00 -3.20 -0.09 0.00 -0.22 0.00 0.00 33.01 29.50 2roq s GLN 65 CO 0.02 -1.03 0.88 0.54 -0.25 0.00 0.00 175.29 175.45 2roq s VAL 66 N 0.31 4.54 0.32 1.09 0.11 -1.26 -4.95 120.40 120.57 2roq s VAL 66 Ca 0.14 1.20 -0.03 0.00 -2.93 0.00 0.00 61.98 60.35 2roq s VAL 66 Cb -0.23 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2roq s VAL 66 CO -0.04 -0.39 0.58 0.42 -3.33 0.00 0.00 175.10 172.33 2roq s THR 67 N -2.25 5.04 0.00 5.04 -4.23 -1.26 -4.98 115.64 112.99 2roq s THR 67 Ca 0.58 -0.07 -0.24 0.00 -1.18 0.00 0.00 61.69 60.78 2roq s THR 67 Cb -0.10 -3.78 -0.18 0.00 1.34 0.00 0.00 72.50 69.78 2roq s THR 67 CO 0.20 -0.44 1.29 1.55 -0.54 0.00 0.00 174.62 176.69 2roq h PRO 68 N 1.28 0.14 0.00 3.99 0.13 -1.97 -3.08 132.00 132.49 2roq h PRO 68 Ca -0.48 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2roq h PRO 68 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2roq h PRO 68 CO 0.64 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.41 2roq n GLY 69 N 0.22 -1.09 1.74 1.56 0.00 -1.26 -2.72 105.19 103.64 2roq n GLY 69 Ca -0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.39 2.88 0.02 1.61 1.13 -1.16 -4.15 117.38 116.32 2roq n GLN 70 Ca 0.08 -3.07 0.00 0.00 -1.94 0.00 0.00 57.00 52.07 2roq n GLN 70 Cb 0.20 -2.08 0.00 0.00 0.11 0.00 0.00 30.24 28.47 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2roq n VAL 71 N -0.64 0.01 0.01 5.09 0.31 -1.10 -4.33 118.33 117.67 2roq n VAL 71 Ca 0.41 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.75 2roq n VAL 71 Cb 1.32 -0.56 0.32 0.00 -0.91 0.00 0.00 33.84 34.01 2roq n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2roq h MET 72 N 0.00 0.51 0.00 5.55 -0.00 -1.77 -3.17 114.93 116.05 2roq h MET 72 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 2roq h MET 72 Cb 0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.57 2roq h MET 72 CO 0.00 0.52 -0.06 1.33 -0.00 0.00 0.00 176.91 178.70 2roq n VAL 73 N -4.30 0.76 -0.06 -0.10 0.24 -1.26 -4.41 118.33 109.20 2roq n VAL 73 Ca 0.02 -0.83 -0.13 0.00 -2.04 0.00 0.00 64.34 61.35 2roq n VAL 73 Cb 0.22 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.01 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq h ALA 74 N 0.00 -0.81 0.00 2.33 0.00 -1.71 -3.40 119.26 115.67 2roq h ALA 74 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2roq h ALA 74 Cb 0.83 1.03 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2roq h ALA 74 CO 0.00 -1.02 0.00 0.43 0.00 0.00 0.00 179.25 178.66 2roq n SER 75 N -5.17 0.00 -1.34 0.00 7.64 -1.26 -4.49 113.62 109.00 2roq n SER 75 Ca -0.05 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.82 2roq n SER 75 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2roq n SER 75 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2roq n THR 76 N 0.00 0.00 0.26 0.44 5.66 -1.26 -4.43 114.28 114.95 2roq n THR 76 Ca 0.00 -0.16 -0.12 0.00 -3.05 0.00 0.00 64.05 60.72 2roq n THR 76 Cb 0.00 0.17 -0.06 0.00 -1.55 0.00 0.00 70.33 68.89 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 1.18 0.00 -0.87 1.08 2.07 -1.25 0.28 116.25 118.73 2roq h VAL 77 Ca -0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.65 2roq h VAL 77 Cb 0.22 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.88 2roq h VAL 77 CO 0.07 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.08 2roq h ALA 78 N -1.52 1.36 -0.57 1.67 0.00 -1.02 0.29 119.26 119.46 2roq h ALA 78 Ca -0.07 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2roq h ALA 78 Cb 0.57 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2roq h ALA 78 CO 0.08 -0.21 0.12 0.87 0.00 0.00 0.00 179.25 180.11 2roq h LYS 79 N 0.52 0.92 -0.73 0.00 1.79 -1.76 -1.70 116.57 115.61 2roq h LYS 79 Ca 0.51 -0.23 0.06 0.00 -2.18 0.00 0.00 60.65 58.81 2roq h LYS 79 Cb 0.85 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.33 2roq h LYS 79 CO -0.44 0.87 0.43 1.25 -1.08 0.00 0.00 179.45 180.48 2roq h LEU 80 N 0.82 0.66 -0.50 2.94 7.12 0.17 0.94 115.31 127.46 2roq h LEU 80 Ca 0.18 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.21 2roq h LEU 80 Cb 0.37 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2roq h LEU 80 CO 0.01 0.43 0.00 0.00 -0.13 0.00 0.00 178.44 178.74 2roq h ALA 81 N 1.36 1.00 0.00 1.25 0.00 -1.16 -2.14 119.26 119.57 2roq h ALA 81 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2roq h ALA 81 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2roq h ALA 81 CO -0.17 0.00 -0.82 1.15 0.00 0.00 0.00 179.25 179.41 2roq h THR 82 N 0.00 0.00 0.00 0.00 2.02 -0.07 -2.16 112.91 112.70 2roq h THR 82 Ca 0.00 -0.64 -0.24 0.00 0.77 0.00 0.00 66.41 66.30 2roq h THR 82 Cb 0.66 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 2roq h THR 82 CO 0.00 0.00 -2.12 2.30 0.37 0.00 0.00 175.52 176.07 2roq n ILE 83 N -2.25 1.00 -0.05 3.11 -5.35 0.13 -2.41 119.36 113.53 2roq n ILE 83 Ca 0.02 -0.74 -0.07 0.00 -0.27 0.00 0.00 62.75 61.69 2roq n ILE 83 Cb 0.47 -0.40 -0.15 0.00 -1.74 0.00 0.00 39.64 37.82 2roq n ILE 83 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2roq n ILE 84 N -2.65 1.32 -0.10 7.28 -5.35 -0.82 -2.49 119.36 116.54 2roq n ILE 84 Ca -0.21 -0.79 -0.18 0.00 -0.27 0.00 0.00 62.75 61.29 2roq n ILE 84 Cb 0.95 -0.62 -0.08 0.00 -1.74 0.00 0.00 39.64 38.15 2roq n ILE 84 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2roq n ASP 85 N -2.81 1.93 -1.50 7.28 2.03 -0.82 -4.52 116.55 118.14 2roq n ASP 85 Ca -0.23 0.09 0.03 0.00 0.52 0.00 0.00 54.79 55.19 2roq n ASP 85 Cb 1.05 -0.46 0.27 0.00 -0.72 0.00 0.00 41.12 41.25 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ALA 86 N -3.52 3.58 0.00 -1.67 0.00 -1.01 -4.94 120.51 112.94 2roq n ALA 86 Ca -0.37 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 51.68 2roq n ALA 86 Cb 0.82 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2roq n ALA 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2roq n GLU 87 N 0.33 -2.78 -0.01 0.00 1.02 -1.06 -4.74 120.64 113.41 2roq n GLU 87 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2roq n GLU 87 Cb 0.95 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.34 2roq n GLU 87 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2roq n GLU 88 N -0.05 1.50 -3.67 3.49 1.02 -1.04 -3.83 120.64 118.07 2roq n GLU 88 Ca 0.00 -0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 2roq n GLU 88 Cb 0.00 -1.10 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 2roq n GLU 88 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2roq s ASP 89 N -2.89 -0.27 0.00 1.62 2.15 -1.24 -4.76 116.67 111.28 2roq s ASP 89 Ca -0.02 0.95 0.00 0.00 0.43 0.00 0.00 52.55 53.91 2roq s ASP 89 Cb 0.02 1.19 0.00 0.00 -0.30 0.00 0.00 42.92 43.83 2roq s ASP 89 CO 0.16 -0.22 0.75 -0.24 -0.17 0.00 0.00 175.17 175.45 2roq n SER 90 N 5.16 0.00 -4.30 -0.34 2.88 -1.26 -4.77 113.62 110.99 2roq n SER 90 Ca -0.11 0.75 -0.39 0.00 -1.33 0.00 0.00 58.87 57.79 2roq n SER 90 Cb 0.51 -0.25 -0.08 0.00 -0.75 0.00 0.00 64.21 63.64 2roq n SER 90 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2roq n THR 91 N -1.55 -0.09 -0.00 2.46 5.66 -1.26 -4.78 114.28 114.71 2roq n THR 91 Ca 0.00 -0.05 -0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2roq n THR 91 Cb 0.00 -0.51 -0.00 0.00 -1.55 0.00 0.00 70.33 68.27 2roq n THR 91 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2roq n ARG 92 N -3.83 0.01 -3.72 1.09 1.74 -1.26 -5.07 116.66 105.62 2roq n ARG 92 Ca 0.07 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 2roq n ARG 92 Cb 0.44 -0.31 -0.14 0.00 -1.02 0.00 0.00 32.46 31.44 2roq n ARG 92 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2roq s ARG 93 N -1.04 0.16 -0.09 5.56 3.52 -1.26 -5.15 118.95 120.64 2roq s ARG 93 Ca -0.00 0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 55.83 2roq s ARG 93 Cb 0.00 -0.13 0.12 0.00 -1.56 0.00 0.00 34.95 33.38 2roq s ARG 93 CO 0.01 -0.20 0.99 0.00 -0.81 0.00 0.00 175.30 175.29 2roq s MET 94 N 1.53 0.64 -0.42 5.12 0.23 -1.26 -4.51 119.30 120.63 2roq s MET 94 Ca -0.06 -0.12 -0.01 0.00 -1.03 0.00 0.00 55.69 54.46 2roq s MET 94 Cb -0.11 0.30 0.28 0.00 -1.53 0.00 0.00 34.83 33.77 2roq s MET 94 CO -0.08 -0.26 2.04 0.41 -2.03 0.00 0.00 175.02 175.10 2roq n GLY 95 N 0.10 4.60 0.15 3.16 0.00 -1.26 -4.53 105.19 107.40 2roq n GLY 95 Ca -0.07 -1.44 0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 0.01 0.68 -0.10 1.61 7.35 -1.26 -3.89 117.46 121.86 2roq n PHE 96 Ca 0.39 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.43 2roq n PHE 96 Cb 0.60 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 39.38 2roq n PHE 96 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2roq n GLU 97 N -2.19 -1.66 0.17 -4.13 1.02 -1.26 -4.82 120.64 107.77 2roq n GLU 97 Ca -0.01 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.28 2roq n GLU 97 Cb 0.05 0.00 0.74 0.00 -0.02 0.00 0.00 31.44 32.21 2roq n GLU 97 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2roq h THR 98 N -1.85 0.70 -3.50 2.62 2.02 -1.83 -3.42 112.91 107.65 2roq h THR 98 Ca 0.00 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.52 2roq h THR 98 Cb 0.00 0.87 -0.17 0.00 -1.74 0.00 0.00 68.15 67.10 2roq h THR 98 CO 0.00 0.00 -0.78 -0.63 0.37 0.00 0.00 175.52 174.48 2roq s ILE 99 N -4.87 2.92 -0.31 3.11 -1.09 -1.26 -3.49 121.20 116.21 2roq s ILE 99 Ca -0.05 -1.57 -0.01 0.00 -2.23 0.00 0.00 60.65 56.79 2roq s ILE 99 Cb 0.17 -2.37 0.10 0.00 -1.58 0.00 0.00 42.46 38.78 2roq s ILE 99 CO 0.63 0.03 0.12 -0.22 -1.23 0.00 0.00 174.94 174.28 2roq s LEU 100 N -2.35 1.76 -0.37 2.97 1.98 -1.19 -4.40 118.68 117.08 2roq s LEU 100 Ca 0.20 -1.63 -0.28 0.00 -2.89 0.00 0.00 54.13 49.53 2roq s LEU 100 Cb -0.10 -0.72 -0.01 0.00 0.66 0.00 0.00 46.19 46.02 2roq s LEU 100 CO 0.11 -0.41 1.72 -2.16 -1.89 0.00 0.00 176.35 173.72 2roq s PRO 101 N 1.65 3.33 0.09 0.98 0.04 -1.26 -3.48 135.00 136.34 2roq s PRO 101 Ca 0.10 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.24 2roq s PRO 101 Cb -0.18 -4.18 -0.13 0.00 0.04 0.00 0.00 34.50 30.06 2roq s PRO 101 CO -0.26 -1.87 1.34 -0.07 0.04 0.00 0.00 177.00 176.19 2roq h LEU 102 N 13.59 0.79 -6.23 -3.56 3.38 -1.89 -3.46 115.31 117.92 2roq h LEU 102 Ca -0.32 -0.56 0.22 0.00 0.09 0.00 0.00 57.88 57.32 2roq h LEU 102 Cb 1.15 -0.23 -0.25 0.00 0.09 0.00 0.00 40.66 41.43 2roq h LEU 102 CO 1.06 1.20 0.33 -0.13 0.09 0.00 0.00 178.44 180.99 2roq s ARG 103 N -4.02 0.17 0.03 1.13 1.81 -1.15 -4.77 118.95 112.15 2roq s ARG 103 Ca -0.12 0.39 0.01 0.00 -1.72 0.00 0.00 55.73 54.29 2roq s ARG 103 Cb 0.08 0.23 -0.02 0.00 -0.45 0.00 0.00 34.95 34.79 2roq s ARG 103 CO 0.85 -0.08 -0.05 -1.83 -0.68 0.00 0.00 175.30 173.51 2roq s GLU 104 N 2.40 0.40 0.00 3.54 4.04 -1.25 -0.06 118.70 127.77 2roq s GLU 104 Ca -0.01 -0.66 0.00 0.00 0.04 0.00 0.00 54.97 54.34 2roq s GLU 104 Cb -0.05 -0.06 0.00 0.00 0.02 0.00 0.00 34.13 34.04 2roq s GLU 104 CO -0.16 -0.01 0.00 0.41 -1.84 0.00 0.00 175.26 173.67 2roq n GLY 105 N 1.57 0.88 0.00 -3.83 0.00 -1.26 -4.97 105.19 97.58 2roq n GLY 105 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2roq n GLY 105 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2roq n ASN 106 N 0.00 0.00 0.00 1.61 4.05 -1.26 -5.03 115.26 114.63 2roq n ASN 106 Ca 0.00 0.18 0.00 0.00 0.45 0.00 0.00 54.58 55.21 2roq n ASN 106 Cb 0.00 -0.17 0.00 0.00 1.23 0.00 0.00 39.78 40.84 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2roq n GLY 107 N 2.27 -2.09 3.58 8.20 0.00 -1.26 -4.98 105.19 110.90 2roq n GLY 107 Ca 0.00 0.68 -0.41 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.01 3.01 -0.32 1.61 0.04 -1.26 -4.87 135.00 132.21 2roq s PRO 108 Ca 0.00 0.96 -0.26 0.00 0.04 0.00 0.00 61.00 61.75 2roq s PRO 108 Cb 0.00 -4.27 0.01 0.00 0.04 0.00 0.00 34.50 30.28 2roq s PRO 108 CO 0.00 -2.25 0.90 0.99 0.04 0.00 0.00 177.00 176.68 2roq s THR 109 N 7.79 4.68 -0.18 1.26 2.01 -1.25 -2.84 115.64 127.11 2roq s THR 109 Ca 0.71 1.38 -0.02 0.00 0.31 0.00 0.00 61.69 64.08 2roq s THR 109 Cb -0.16 -4.26 0.05 0.00 0.01 0.00 0.00 72.50 68.14 2roq s THR 109 CO 0.27 -0.35 0.01 -0.22 -0.69 0.00 0.00 174.62 173.64 2roq s LEU 110 N 3.24 1.24 -0.06 4.42 0.20 0.11 -0.21 118.68 127.62 2roq s LEU 110 Ca 0.37 -0.72 -0.22 0.00 0.69 0.00 0.00 54.13 54.25 2roq s LEU 110 Cb -0.13 -0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.93 2roq s LEU 110 CO 0.14 -0.27 0.66 0.12 -0.29 0.00 0.00 176.35 176.71 2roq s PHE 111 N 1.81 3.59 -0.26 5.38 2.19 -0.05 -3.38 117.98 127.26 2roq s PHE 111 Ca -0.00 1.20 -0.06 0.00 0.33 0.00 0.00 56.93 58.40 2roq s PHE 111 Cb -0.16 -2.74 -0.00 0.00 -1.31 0.00 0.00 43.02 38.80 2roq s PHE 111 CO -0.07 0.14 0.03 0.00 1.83 0.00 0.00 175.22 177.15 2roq s PHE 113 N 1.51 3.23 -0.77 0.00 2.19 0.11 -3.51 117.98 120.73 2roq s PHE 113 Ca 0.04 0.66 0.03 0.00 0.33 0.00 0.00 56.93 57.99 2roq s PHE 113 Cb -0.16 -2.95 0.26 0.00 -1.31 0.00 0.00 43.02 38.85 2roq s PHE 113 CO 0.01 -0.43 0.91 0.72 1.83 0.00 0.00 175.22 178.26 2roq n HIS 114 N 5.84 3.35 -0.03 10.12 8.25 -1.26 -4.00 115.22 137.50 2roq n HIS 114 Ca -0.01 -3.79 -0.13 0.00 -0.26 0.00 0.00 57.72 53.53 2roq n HIS 114 Cb 0.49 -0.78 -0.09 0.00 1.12 0.00 0.00 29.99 30.73 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 4.69 0.11 0.26 -0.41 0.13 -1.92 0.27 132.00 135.13 2roq h PRO 115 Ca 0.19 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.28 2roq h PRO 115 Cb 0.67 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.76 2roq h PRO 115 CO 0.95 0.56 -0.43 0.00 -0.23 0.00 0.00 178.00 178.85 2roq h ALA 116 N 0.54 -0.85 0.13 -0.56 0.00 -1.90 -3.32 119.26 113.30 2roq h ALA 116 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2roq h ALA 116 Cb 0.54 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2roq h ALA 116 CO 0.01 -1.03 -0.06 0.77 0.00 0.00 0.00 179.25 178.94 2roq h SER 117 N -0.76 -0.15 0.00 0.00 0.02 -1.95 -3.44 113.55 107.27 2roq h SER 117 Ca -0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2roq h SER 117 Cb 0.73 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2roq h SER 117 CO -0.17 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.19 2roq n GLY 118 N 1.00 1.14 0.00 -3.77 0.00 0.93 -4.92 105.19 99.58 2roq n GLY 118 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2roq n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2roq n PHE 119 N -0.93 -0.16 -0.83 1.61 3.72 -1.22 -2.30 117.46 117.36 2roq n PHE 119 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2roq n PHE 119 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2roq n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2roq n ALA 120 N -3.00 1.07 -1.64 4.37 0.00 -1.23 -4.17 120.51 115.91 2roq n ALA 120 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2roq n ALA 120 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2roq n ALA 120 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2roq n TRP 121 N -0.07 -1.45 -1.36 0.00 8.01 -1.26 -4.53 117.44 116.77 2roq n TRP 121 Ca 0.00 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.07 2roq n TRP 121 Cb 0.42 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.67 2roq n TRP 121 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 2roq n GLN 122 N -0.41 -1.14 -0.26 -0.99 7.27 -1.24 -4.84 117.38 115.77 2roq n GLN 122 Ca 0.00 0.91 0.10 0.00 0.07 0.00 0.00 57.00 58.08 2roq n GLN 122 Cb 0.00 -5.05 0.24 0.00 2.41 0.00 0.00 30.24 27.84 2roq n GLN 122 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2roq n PHE 123 N -2.50 0.69 -0.35 3.69 3.01 -1.26 -4.51 117.46 116.22 2roq n PHE 123 Ca -0.12 -0.42 0.08 0.00 1.01 0.00 0.00 57.45 57.99 2roq n PHE 123 Cb 0.48 -0.01 0.26 0.00 -0.01 0.00 0.00 39.48 40.20 2roq n PHE 123 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2roq h SER 124 N 3.61 0.90 -0.98 4.37 4.64 -1.70 -0.63 113.55 123.77 2roq h SER 124 Ca 0.00 0.05 0.08 0.00 -0.47 0.00 0.00 61.79 61.45 2roq h SER 124 Cb 0.89 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.78 2roq h SER 124 CO 0.00 0.47 0.62 -0.37 -0.87 0.00 0.00 176.83 176.68 2roq h VAL 125 N 0.96 1.04 -0.22 0.95 -1.51 -1.84 -1.83 116.25 113.80 2roq h VAL 125 Ca 0.50 -0.38 -0.07 0.00 -1.23 0.00 0.00 66.70 65.52 2roq h VAL 125 Cb 0.52 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.53 2roq h VAL 125 CO -0.26 0.20 -0.14 -0.07 -1.23 0.00 0.00 177.57 176.07 2roq h LEU 126 N 1.10 0.51 -2.20 4.19 4.07 -1.46 0.15 115.31 121.66 2roq h LEU 126 Ca 0.44 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2roq h LEU 126 Cb 0.24 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.84 2roq h LEU 126 CO -0.20 0.83 0.00 0.77 -1.08 0.00 0.00 178.44 178.77 2roq h SER 127 N 0.19 0.00 0.00 -0.43 4.64 -0.83 0.82 113.55 117.94 2roq h SER 127 Ca 0.05 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.22 2roq h SER 127 Cb 0.66 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 2roq h SER 127 CO 0.04 0.00 -2.04 -1.14 -0.87 0.00 0.00 176.83 172.82 2roq n ARG 128 N -2.73 0.82 -0.08 4.77 0.63 -0.74 -3.79 116.66 115.53 2roq n ARG 128 Ca -0.02 -0.10 -0.07 0.00 -0.92 0.00 0.00 57.85 56.74 2roq n ARG 128 Cb 0.08 -1.46 -0.02 0.00 0.45 0.00 0.00 32.46 31.51 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 -2.39 0.46 0.00 -0.14 4.01 0.48 -4.78 117.16 114.79 2roq n TYR 129 Ca -0.15 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2roq n TYR 129 Cb 0.77 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2roq n TYR 129 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2roq n LEU 130 N -4.53 0.00 -3.81 7.72 7.99 0.27 -4.96 117.00 119.68 2roq n LEU 130 Ca -0.11 0.48 -0.09 0.00 -0.01 0.00 0.00 56.01 56.27 2roq n LEU 130 Cb 0.40 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.65 2roq n LEU 130 CO 0.16 0.00 0.00 -1.81 -1.51 0.00 0.00 177.39 174.23 2roq s ASP 131 N -2.19 -0.00 0.00 -1.43 1.11 -1.22 -5.03 116.67 107.91 2roq s ASP 131 Ca 0.00 -0.60 0.15 0.00 0.18 0.00 0.00 52.55 52.28 2roq s ASP 131 Cb 0.00 0.40 0.73 0.00 1.07 0.00 0.00 42.92 45.12 2roq s ASP 131 CO 0.00 -0.81 1.41 -0.81 1.18 0.00 0.00 175.17 176.15 2roq n PRO 132 N -0.15 0.18 -3.15 8.23 -0.04 -1.25 -4.29 135.00 134.54 2roq n PRO 132 Ca -0.14 0.16 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 2roq n PRO 132 Cb 0.63 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2roq n PRO 132 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2roq s GLN 133 N -2.63 0.04 0.45 0.54 -0.21 -1.26 -5.04 119.66 111.54 2roq s GLN 133 Ca 0.13 0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.55 2roq s GLN 133 Cb 0.10 0.02 -0.00 0.00 1.00 0.00 0.00 33.01 34.13 2roq s GLN 133 CO 0.23 -0.06 0.00 -2.67 -2.12 0.00 0.00 175.29 170.67 2roq n TRP 134 N 5.11 1.02 -3.48 0.91 4.27 -1.26 -4.67 117.44 119.33 2roq n TRP 134 Ca 0.07 -2.21 -0.43 0.00 -3.89 0.00 0.00 57.50 51.05 2roq n TRP 134 Cb 0.58 -0.29 -0.08 0.00 -1.36 0.00 0.00 31.31 30.16 2roq n TRP 134 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2roq s SER 135 N -3.45 5.89 -0.05 -0.67 0.15 -1.13 -3.78 113.70 110.66 2roq s SER 135 Ca 0.00 -1.56 -0.08 0.00 0.70 0.00 0.00 55.95 55.02 2roq s SER 135 Cb 0.00 -2.09 0.02 0.00 -1.71 0.00 0.00 66.02 62.24 2roq s SER 135 CO 0.00 -0.65 0.20 -0.63 1.20 0.00 0.00 173.24 173.36 2roq s ILE 136 N 1.51 0.02 -0.17 6.45 1.01 0.91 0.07 121.20 131.01 2roq s ILE 136 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 2roq s ILE 136 Cb -0.25 -0.35 0.05 0.00 0.01 0.00 0.00 42.46 41.92 2roq s ILE 136 CO 0.03 -0.11 0.02 -0.63 0.00 0.00 0.00 174.94 174.25 2roq s ILE 137 N -0.36 0.54 0.03 2.92 1.01 -1.22 -2.94 121.20 121.19 2roq s ILE 137 Ca -0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 2roq s ILE 137 Cb -0.03 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 2roq s ILE 137 CO 0.01 -0.10 0.30 -0.83 0.00 0.00 0.00 174.94 174.32 2roq s GLY 138 N 1.86 2.27 -0.03 6.18 0.00 -1.23 -3.07 107.32 113.30 2roq s GLY 138 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.88 2roq s GLY 138 CO -0.07 -0.36 1.17 -1.50 0.00 0.00 0.00 173.10 172.33 2roq s ILE 139 N -1.34 4.29 -0.06 0.90 1.10 -1.23 -3.15 121.20 121.70 2roq s ILE 139 Ca 0.30 1.62 0.01 0.00 -0.51 0.00 0.00 60.65 62.07 2roq s ILE 139 Cb -0.13 -4.04 0.02 0.00 0.15 0.00 0.00 42.46 38.46 2roq s ILE 139 CO 0.17 0.04 -0.06 -1.58 -2.11 0.00 0.00 174.94 171.40 2roq s GLN 140 N 1.82 1.07 -0.29 3.50 2.00 -1.23 -3.37 119.66 123.16 2roq s GLN 140 Ca 0.56 -0.16 -0.15 0.00 -2.00 0.00 0.00 55.36 53.60 2roq s GLN 140 Cb -0.25 -1.07 0.13 0.00 0.80 0.00 0.00 33.01 32.62 2roq s GLN 140 CO 0.24 -0.11 0.86 -1.54 -0.50 0.00 0.00 175.29 174.24 2roq s SER 141 N 1.10 -0.71 -0.57 6.67 1.04 -0.97 -4.15 113.70 116.10 2roq s SER 141 Ca -0.08 1.09 -0.04 0.00 0.48 0.00 0.00 55.95 57.40 2roq s SER 141 Cb -0.14 1.42 -0.07 0.00 0.10 0.00 0.00 66.02 67.33 2roq s SER 141 CO -0.01 -0.17 1.98 -0.81 0.98 0.00 0.00 173.24 175.22 2roq n PRO 142 N 4.20 1.58 -3.71 4.02 -0.04 -1.26 -4.75 135.00 135.03 2roq n PRO 142 Ca -0.17 -1.09 -0.14 0.00 -0.04 0.00 0.00 63.50 62.06 2roq n PRO 142 Cb 0.57 -2.21 -0.08 0.00 -0.04 0.00 0.00 33.50 31.74 2roq n PRO 142 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2roq s ARG 143 N 3.16 0.78 -0.02 0.54 0.52 -1.26 -5.04 118.95 117.63 2roq s ARG 143 Ca 0.34 -0.20 -0.25 0.00 -0.52 0.00 0.00 55.73 55.10 2roq s ARG 143 Cb 0.11 0.35 -0.19 0.00 0.52 0.00 0.00 34.95 35.74 2roq s ARG 143 CO -0.02 -0.23 1.21 -1.00 0.02 0.00 0.00 175.30 175.27 2roq h PRO 144 N 3.53 -0.09 0.00 3.54 0.13 -1.86 -3.45 132.00 133.80 2roq h PRO 144 Ca -0.30 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2roq h PRO 144 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2roq h PRO 144 CO 0.41 0.36 0.00 -1.71 -0.23 0.00 0.00 178.00 176.83 2roq n ASN 145 N -4.91 0.00 -4.12 1.44 5.15 -1.26 -4.56 115.26 107.01 2roq n ASN 145 Ca -0.08 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.61 2roq n ASN 145 Cb 0.25 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.45 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2roq n GLY 146 N 0.00 -0.21 0.21 8.20 0.00 -1.26 -4.25 105.19 107.89 2roq n GLY 146 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.84 0.00 -0.01 1.61 0.13 -1.89 -2.68 132.00 127.32 2roq h PRO 147 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2roq h PRO 147 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2roq h PRO 147 CO 0.66 0.27 -0.56 -1.33 -0.23 0.00 0.00 178.00 176.81 2roq n MET 148 N -3.58 0.51 0.00 0.86 2.81 -1.26 -4.52 117.12 111.94 2roq n MET 148 Ca -0.01 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.51 2roq n MET 148 Cb 0.41 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 2roq n MET 148 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2roq n GLN 149 N -0.92 0.00 0.00 0.03 1.13 -1.01 -4.94 117.38 111.66 2roq n GLN 149 Ca 0.08 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 2roq n GLN 149 Cb 0.37 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.60 2roq n GLN 149 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2roq n THR 150 N -1.53 0.00 0.16 5.09 5.66 -1.25 -5.10 114.28 117.31 2roq n THR 150 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2roq n THR 150 Cb 0.00 -0.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 2roq n THR 150 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roq n ALA 151 N -1.78 1.11 0.08 1.79 0.00 -1.26 -4.97 120.51 115.48 2roq n ALA 151 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2roq n ALA 151 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.25 2.37 -1.34 0.00 0.00 -1.26 -4.74 120.51 112.29 2roq n ALA 152 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 2roq n ALA 152 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 2roq n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2roq n ASN 153 N -1.51 -4.93 0.01 0.00 4.05 -1.26 -4.81 115.26 106.80 2roq n ASN 153 Ca -0.00 0.32 -0.19 0.00 0.45 0.00 0.00 54.58 55.16 2roq n ASN 153 Cb 0.13 -3.96 -0.09 0.00 1.23 0.00 0.00 39.78 37.09 2roq n ASN 153 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2roq h LEU 154 N 0.00 0.93 -0.42 1.20 3.38 -1.94 -2.14 115.31 116.33 2roq h LEU 154 Ca -0.26 -0.67 -0.17 0.00 0.09 0.00 0.00 57.88 56.86 2roq h LEU 154 Cb 1.10 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2roq h LEU 154 CO 0.39 1.48 -0.50 0.44 0.09 0.00 0.00 178.44 180.33 2roq h ASP 155 N 0.47 0.85 0.48 -0.43 5.19 -1.99 -2.13 116.42 118.87 2roq h ASP 155 Ca -0.09 -0.43 -0.02 0.00 -0.62 0.00 0.00 57.03 55.86 2roq h ASP 155 Cb 1.55 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.82 2roq h ASP 155 CO 0.18 1.20 -0.23 -0.33 -3.12 0.00 0.00 179.24 176.94 2roq h GLU 156 N 0.60 -0.63 -0.74 3.56 4.39 -1.95 -2.12 114.58 117.69 2roq h GLU 156 Ca 0.03 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.88 2roq h GLU 156 Cb 1.08 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 2roq h GLU 156 CO 0.11 -0.32 0.49 -0.39 -1.16 0.00 0.00 179.01 177.73 2roq h VAL 157 N -1.00 0.88 0.34 3.13 -1.51 -1.47 -2.01 116.25 114.61 2roq h VAL 157 Ca -0.07 -0.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.19 2roq h VAL 157 Cb 0.59 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 2roq h VAL 157 CO 0.11 0.10 -0.16 0.00 -1.23 0.00 0.00 177.57 176.39 2roq h GLU 159 N -0.66 0.73 0.49 0.00 4.39 -0.84 0.22 114.58 118.91 2roq h GLU 159 Ca -0.05 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2roq h GLU 159 Cb 0.47 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2roq h GLU 159 CO 0.08 0.48 -0.25 0.00 -1.16 0.00 0.00 179.01 178.16 2roq h ALA 160 N 1.52 -0.67 -0.58 3.43 0.00 -1.27 0.25 119.26 121.93 2roq h ALA 160 Ca 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2roq h ALA 160 Cb 0.54 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2roq h ALA 160 CO -0.31 -0.88 0.34 0.45 0.00 0.00 0.00 179.25 178.86 2roq h HIS 161 N -0.68 0.78 0.08 0.00 3.86 -0.84 -2.11 115.15 116.25 2roq h HIS 161 Ca -0.06 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2roq h HIS 161 Cb 0.53 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2roq h HIS 161 CO -0.05 0.54 -0.04 -0.07 0.86 0.00 0.00 177.93 179.17 2roq h LEU 162 N 0.79 -0.09 -0.06 2.43 -0.00 -0.43 0.26 115.31 118.21 2roq h LEU 162 Ca 0.21 -0.04 0.04 0.00 -0.00 0.00 0.00 57.88 58.09 2roq h LEU 162 Cb -0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 40.62 2roq h LEU 162 CO -0.04 -0.01 -0.31 0.00 -0.00 0.00 0.00 178.44 178.08 2roq h ALA 163 N 0.77 -0.40 -0.49 1.53 0.00 -0.35 -1.05 119.26 119.27 2roq h ALA 163 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2roq h ALA 163 Cb 0.12 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2roq h ALA 163 CO 0.02 -0.80 0.21 1.15 0.00 0.00 0.00 179.25 179.82 2roq h THR 164 N -0.42 1.20 0.02 0.00 2.02 -1.31 -2.13 112.91 112.29 2roq h THR 164 Ca 0.08 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2roq h THR 164 Cb 0.54 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2roq h THR 164 CO -0.30 0.23 -0.09 -0.07 0.37 0.00 0.00 175.52 175.66 2roq h LEU 165 N 0.64 -0.28 -1.97 2.58 3.38 0.02 -1.00 115.31 118.68 2roq h LEU 165 Ca 0.16 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.34 2roq h LEU 165 Cb 0.17 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2roq h LEU 165 CO -0.02 -0.10 0.51 -0.07 0.09 0.00 0.00 178.44 178.85 2roq h LEU 166 N -0.14 0.00 -1.33 1.67 -0.00 -1.25 0.39 115.31 114.66 2roq h LEU 166 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2roq h LEU 166 Cb 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.78 2roq h LEU 166 CO -0.05 0.00 0.05 -0.08 -0.00 0.00 0.00 178.44 178.36 2roq h GLU 167 N 0.00 0.50 0.01 1.13 4.81 -0.50 -0.02 114.58 120.51 2roq h GLU 167 Ca 0.29 -0.09 -0.36 0.00 -0.13 0.00 0.00 59.36 59.07 2roq h GLU 167 Cb 1.30 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 2roq h GLU 167 CO -0.00 0.49 -2.26 1.04 -0.73 0.00 0.00 179.01 177.55 2roq n GLN 168 N -4.32 0.68 -3.36 1.92 1.13 0.89 -4.72 117.38 109.60 2roq n GLN 168 Ca 0.02 0.10 -0.26 0.00 -1.94 0.00 0.00 57.00 54.92 2roq n GLN 168 Cb 0.20 -1.58 -0.09 0.00 0.11 0.00 0.00 30.24 28.88 2roq n GLN 168 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2roq n GLN 169 N -2.97 0.87 0.19 -1.09 -0.06 0.99 -4.94 117.38 110.37 2roq n GLN 169 Ca -0.33 -3.51 0.05 0.00 -2.00 0.00 0.00 57.00 51.20 2roq n GLN 169 Cb 1.09 -1.61 0.38 0.00 -4.06 0.00 0.00 30.24 26.04 2roq n GLN 169 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2roq h PRO 170 N 4.73 0.00 -2.69 3.69 0.13 -1.21 -3.38 132.00 133.27 2roq h PRO 170 Ca 0.16 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.15 2roq h PRO 170 Cb 0.85 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.69 2roq h PRO 170 CO 0.50 0.37 -0.43 -1.58 -0.23 0.00 0.00 178.00 176.63 2roq s HIS 171 N -3.86 -0.60 0.00 1.56 5.65 -1.26 -5.02 115.29 111.76 2roq s HIS 171 Ca -0.01 1.24 0.00 0.00 0.25 0.00 0.00 55.06 56.54 2roq s HIS 171 Cb 0.12 0.16 0.00 0.00 -1.18 0.00 0.00 32.58 31.68 2roq s HIS 171 CO 0.69 -0.40 0.00 0.41 -0.65 0.00 0.00 174.74 174.79 2roq n GLY 172 N 5.15 4.00 3.62 1.59 0.00 -1.26 -5.08 105.19 113.20 2roq n GLY 172 Ca -0.11 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.72 3.66 0.23 1.61 0.04 -1.26 -4.82 135.00 131.74 2roq s PRO 173 Ca 0.00 1.54 0.11 0.00 0.04 0.00 0.00 61.00 62.69 2roq s PRO 173 Cb 0.00 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 2roq s PRO 173 CO 0.00 -1.46 -0.20 1.52 0.04 0.00 0.00 177.00 176.90 2roq s TYR 174 N 5.64 2.35 0.34 0.56 -0.85 -1.26 -4.39 117.35 119.73 2roq s TYR 174 Ca 0.73 -0.33 0.09 0.00 -0.52 0.00 0.00 57.07 57.04 2roq s TYR 174 Cb -0.23 -1.10 -0.05 0.00 0.38 0.00 0.00 41.96 40.95 2roq s TYR 174 CO 0.31 0.59 0.03 0.71 -1.52 0.00 0.00 175.55 175.66 2roq s TYR 175 N -2.01 2.57 0.27 -3.49 1.51 0.70 -2.88 117.35 114.03 2roq s TYR 175 Ca 0.25 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 2roq s TYR 175 Cb -0.07 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 2roq s TYR 175 CO 0.13 0.46 0.08 -0.51 -1.11 0.00 0.00 175.55 174.60 2roq s LEU 176 N -3.73 1.79 -0.30 -1.29 2.01 -1.22 -0.87 118.68 115.06 2roq s LEU 176 Ca 0.35 -1.37 -0.14 0.00 0.01 0.00 0.00 54.13 52.98 2roq s LEU 176 Cb -0.01 -0.08 0.17 0.00 0.01 0.00 0.00 46.19 46.28 2roq s LEU 176 CO 0.20 -0.69 0.96 -0.22 1.01 0.00 0.00 176.35 177.61 2roq s LEU 177 N -3.35 -0.63 0.08 1.79 2.96 -0.88 0.17 118.68 118.82 2roq s LEU 177 Ca 0.37 0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 55.02 2roq s LEU 177 Cb 0.08 1.68 -0.03 0.00 0.50 0.00 0.00 46.19 48.42 2roq s LEU 177 CO 0.14 -0.12 0.06 -0.83 -1.32 0.00 0.00 176.35 174.28 2roq s GLY 178 N 2.55 0.47 0.02 7.98 0.00 -1.19 0.04 107.32 117.19 2roq s GLY 178 Ca -0.01 -1.09 -0.00 0.00 0.00 0.00 0.00 44.72 43.62 2roq s GLY 178 CO -0.17 -1.17 -0.03 -2.52 0.00 0.00 0.00 173.10 169.22 2roq s TYR 179 N -3.93 0.29 0.00 1.90 1.13 -1.26 -3.07 117.35 112.41 2roq s TYR 179 Ca 0.10 -0.58 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 2roq s TYR 179 Cb 0.07 -0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.72 2roq s TYR 179 CO -0.07 -0.21 0.00 0.43 -2.51 0.00 0.00 175.55 173.18 2roq n SER 180 N 1.44 0.00 0.01 -0.18 7.64 -1.26 -1.57 113.62 119.70 2roq n SER 180 Ca -0.23 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.76 2roq n SER 180 Cb 0.56 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 2roq n SER 180 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2roq n LEU 181 N 0.00 0.57 -0.07 -3.43 7.94 -1.26 -4.28 117.00 116.47 2roq n LEU 181 Ca 0.00 -0.15 0.24 0.00 -1.11 0.00 0.00 56.01 54.99 2roq n LEU 181 Cb 0.00 -0.04 0.71 0.00 0.53 0.00 0.00 43.42 44.62 2roq n LEU 181 CO 0.00 0.09 1.22 1.23 -1.11 0.00 0.00 177.39 178.82 2roq h GLY 182 N 4.54 0.00 0.52 -3.96 0.00 -1.57 -2.00 103.07 100.59 2roq h GLY 182 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2roq h GLY 182 CO 0.00 0.00 -0.31 -1.33 0.00 0.00 0.00 176.54 174.90 2roq h GLY 183 N 0.00 -0.63 0.80 4.60 0.00 -1.83 0.49 103.07 106.50 2roq h GLY 183 Ca 0.33 0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.93 2roq h GLY 183 CO -0.00 -0.25 -0.28 -0.91 0.00 0.00 0.00 176.54 175.09 2roq h THR 184 N -0.57 1.36 0.53 4.70 1.35 -1.71 -2.14 112.91 116.43 2roq h THR 184 Ca 0.02 -1.54 -0.02 0.00 -0.55 0.00 0.00 66.41 64.31 2roq h THR 184 Cb 0.57 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2roq h THR 184 CO -0.15 0.46 -0.29 -0.07 -0.25 0.00 0.00 175.52 175.22 2roq h LEU 185 N 0.07 -0.71 -0.83 3.87 -0.00 -1.29 -2.09 115.31 114.32 2roq h LEU 185 Ca 0.01 0.03 0.16 0.00 -0.00 0.00 0.00 57.88 58.08 2roq h LEU 185 Cb 0.87 0.20 -0.10 0.00 -0.00 0.00 0.00 40.66 41.63 2roq h LEU 185 CO 0.06 -0.47 0.39 0.00 -0.00 0.00 0.00 178.44 178.42 2roq h ALA 186 N -1.55 1.24 -0.61 1.53 0.00 -0.14 -0.60 119.26 119.13 2roq h ALA 186 Ca -0.07 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2roq h ALA 186 Cb 0.59 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2roq h ALA 186 CO 0.10 -0.17 0.18 1.96 0.00 0.00 0.00 179.25 181.33 2roq h GLN 187 N 0.53 0.33 -0.53 0.00 4.20 -1.24 0.29 115.11 118.69 2roq h GLN 187 Ca 0.46 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 59.08 2roq h GLN 187 Cb 0.71 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2roq h GLN 187 CO -0.40 0.22 0.03 0.78 -0.67 0.00 0.00 178.83 178.79 2roq h GLY 188 N 0.34 0.99 0.69 3.46 0.00 -0.42 -2.13 103.07 106.00 2roq h GLY 188 Ca 0.32 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2roq h GLY 188 CO -0.36 0.65 -0.19 -2.22 0.00 0.00 0.00 176.54 174.42 2roq h ILE 189 N 0.79 0.53 -0.02 2.60 2.04 -0.63 -2.12 117.51 120.71 2roq h ILE 189 Ca 0.15 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2roq h ILE 189 Cb 0.49 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2roq h ILE 189 CO 0.02 0.08 -0.47 0.00 0.00 0.00 0.00 178.15 177.79 2roq h ALA 190 N -0.43 -0.77 -0.92 1.87 0.00 -0.51 -0.55 119.26 117.96 2roq h ALA 190 Ca -0.05 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.98 2roq h ALA 190 Cb 0.55 0.84 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2roq h ALA 190 CO 0.09 -1.02 0.59 0.00 0.00 0.00 0.00 179.25 178.92 2roq h ALA 191 N -0.17 2.01 -0.91 0.00 0.00 -1.46 0.64 119.26 119.38 2roq h ALA 191 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2roq h ALA 191 Cb 0.68 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2roq h ALA 191 CO -0.35 -0.30 0.55 0.00 0.00 0.00 0.00 179.25 179.15 2roq h ARG 192 N 0.55 1.23 0.19 0.00 -0.00 -0.40 -2.10 114.38 113.86 2roq h ARG 192 Ca 0.48 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.98 59.84 2roq h ARG 192 Cb 1.00 -0.26 0.00 0.00 0.00 0.00 0.00 29.97 30.71 2roq h ARG 192 CO -0.22 0.86 -0.09 -0.07 0.00 0.00 0.00 179.97 180.45 2roq h LEU 193 N 1.25 -0.22 -1.96 3.04 3.38 -0.18 0.29 115.31 120.91 2roq h LEU 193 Ca 0.33 -0.30 0.20 0.00 0.09 0.00 0.00 57.88 58.20 2roq h LEU 193 Cb -0.05 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2roq h LEU 193 CO -0.06 0.23 0.57 -0.09 0.09 0.00 0.00 178.44 179.17 2roq h ARG 194 N -0.72 0.00 0.00 1.13 9.65 -1.27 0.23 114.38 123.40 2roq h ARG 194 Ca -0.03 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.64 2roq h ARG 194 Cb 0.50 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 2roq h ARG 194 CO 0.04 0.00 -1.73 0.00 2.80 0.00 0.00 179.97 181.08 2roq n ALA 195 N -2.57 1.84 0.28 2.80 0.00 -0.80 -4.03 120.51 118.04 2roq n ALA 195 Ca 0.14 -0.75 0.16 0.00 0.00 0.00 0.00 53.44 52.99 2roq n ALA 195 Cb 0.82 -0.75 0.77 0.00 0.00 0.00 0.00 19.45 20.29 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 -0.00 0.29 -3.45 114.38 111.22 2roq h ARG 196 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 2roq h ARG 196 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.72 2roq h ARG 196 CO 0.04 0.07 0.00 0.41 0.00 0.00 0.00 179.97 180.50 2roq n GLY 197 N -0.40 1.85 3.71 0.04 0.00 -0.80 -5.07 105.19 104.53 2roq n GLY 197 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.01 2.12 -0.11 1.61 0.41 -0.86 -5.05 118.70 116.81 2roq s GLU 198 Ca 0.00 -2.11 0.02 0.00 -0.41 0.00 0.00 54.97 52.46 2roq s GLU 198 Cb 0.00 -1.74 0.01 0.00 -1.78 0.00 0.00 34.13 30.63 2roq s GLU 198 CO 0.00 -0.20 -0.15 1.14 -0.49 0.00 0.00 175.26 175.55 2roq s GLN 199 N -3.85 2.25 -0.11 1.61 -2.07 -1.26 -4.02 119.66 112.20 2roq s GLN 199 Ca 0.28 -0.57 -0.24 0.00 -1.82 0.00 0.00 55.36 53.01 2roq s GLN 199 Cb 0.05 -1.91 -0.03 0.00 -1.09 0.00 0.00 33.01 30.03 2roq s GLN 199 CO 0.15 -0.07 0.74 0.14 -1.32 0.00 0.00 175.29 174.93 2roq s VAL 200 N 0.99 4.99 0.02 3.63 -7.23 -1.26 -4.37 120.40 117.17 2roq s VAL 200 Ca -0.06 1.48 -0.26 0.00 -1.81 0.00 0.00 61.98 61.32 2roq s VAL 200 Cb -0.15 -4.06 -0.17 0.00 0.56 0.00 0.00 36.38 32.56 2roq s VAL 200 CO -0.02 0.16 1.35 0.00 -0.31 0.00 0.00 175.10 176.28 2roq h ALA 201 N 7.04 -0.40 -0.37 1.32 0.00 -1.80 -3.37 119.26 121.68 2roq h ALA 201 Ca -0.36 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 54.62 2roq h ALA 201 Cb 1.17 0.16 -0.22 0.00 0.00 0.00 0.00 17.79 18.90 2roq h ALA 201 CO 0.78 -0.59 0.16 0.12 0.00 0.00 0.00 179.25 179.72 2roq s PHE 202 N -5.00 -0.52 -0.04 0.00 2.19 -1.24 -4.64 117.98 108.73 2roq s PHE 202 Ca -0.15 0.59 -0.19 0.00 0.33 0.00 0.00 56.93 57.52 2roq s PHE 202 Cb 0.03 0.20 -0.05 0.00 -1.31 0.00 0.00 43.02 41.88 2roq s PHE 202 CO 0.58 -0.28 0.52 -0.51 1.83 0.00 0.00 175.22 177.36 2roq s LEU 203 N 2.87 4.38 -0.15 6.12 1.43 -1.11 -3.43 118.68 128.79 2roq s LEU 203 Ca -0.01 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 2roq s LEU 203 Cb -0.10 -2.79 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 2roq s LEU 203 CO -0.12 0.11 0.25 -0.83 0.23 0.00 0.00 176.35 175.99 2roq s GLY 204 N -0.07 2.18 -0.28 -3.19 0.00 0.13 -0.04 107.32 106.05 2roq s GLY 204 Ca 0.28 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.45 2roq s GLY 204 CO 0.14 0.26 0.12 1.08 0.00 0.00 0.00 173.10 174.71 2roq s LEU 205 N 0.18 0.70 0.24 0.66 1.43 -0.65 -3.14 118.68 118.11 2roq s LEU 205 Ca 0.15 -1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 51.99 2roq s LEU 205 Cb -0.13 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 2roq s LEU 205 CO 0.03 -0.43 0.45 -1.48 0.23 0.00 0.00 176.35 175.16 2roq s LEU 206 N 2.05 4.16 0.17 1.79 2.34 -1.17 -0.23 118.68 127.79 2roq s LEU 206 Ca 0.08 0.48 0.00 0.00 0.06 0.00 0.00 54.13 54.75 2roq s LEU 206 Cb -0.16 -3.27 0.00 0.00 -0.56 0.00 0.00 46.19 42.20 2roq s LEU 206 CO -0.32 -0.11 0.00 -0.90 -1.06 0.00 0.00 176.35 173.96 2roq n ASP 207 N -0.87 -4.08 -0.98 1.48 5.68 -0.96 -4.48 116.55 112.34 2roq n ASP 207 Ca -0.04 0.46 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 2roq n ASP 207 Cb 0.54 -1.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 2roq n ASP 207 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2roq n THR 208 N -0.65 0.00 0.05 2.12 5.66 -1.26 -4.89 114.28 115.31 2roq n THR 208 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2roq n THR 208 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2roq n THR 208 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2roq n TRP 209 N 0.00 -2.54 -1.42 1.09 8.01 -1.26 -4.70 117.44 116.62 2roq n TRP 209 Ca 0.00 0.35 -0.32 0.00 -1.31 0.00 0.00 57.50 56.23 2roq n TRP 209 Cb 0.00 1.18 0.08 0.00 -2.01 0.00 0.00 31.31 30.56 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 2roq s PRO 210 N -1.76 2.43 -0.72 -0.99 0.04 -1.26 -4.88 135.00 127.86 2roq s PRO 210 Ca 0.00 1.24 -0.23 0.00 0.04 0.00 0.00 61.00 62.05 2roq s PRO 210 Cb 0.00 -1.91 -0.17 0.00 0.04 0.00 0.00 34.50 32.45 2roq s PRO 210 CO 0.00 -1.52 1.90 -0.35 0.04 0.00 0.00 177.00 177.08 2roq n PRO 211 N -3.16 1.39 -3.83 0.56 -0.04 -1.26 -4.12 135.00 124.53 2roq n PRO 211 Ca 0.09 -1.80 -0.28 0.00 -0.04 0.00 0.00 63.50 61.47 2roq n PRO 211 Cb 0.53 -2.91 0.04 0.00 -0.04 0.00 0.00 33.50 31.12 2roq n PRO 211 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2roq n GLU 212 N 7.11 -6.08 -2.32 0.54 2.13 -1.26 -4.97 120.64 115.79 2roq n GLU 212 Ca 0.49 0.65 -0.04 0.00 0.66 0.00 0.00 57.16 58.93 2roq n GLU 212 Cb 0.41 -5.57 -0.01 0.00 0.27 0.00 0.00 31.44 26.54 2roq n GLU 212 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2roq n THR 213 N -4.74 0.00 -3.60 6.31 -2.24 -1.26 -5.08 114.28 103.67 2roq n THR 213 Ca 0.02 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.46 2roq n THR 213 Cb 0.54 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.84 2roq n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roq n GLN 214 N -0.14 0.29 -3.38 -0.78 0.00 -1.26 -4.87 117.38 107.24 2roq n GLN 214 Ca -0.02 -0.90 -0.17 0.00 0.00 0.00 0.00 57.00 55.91 2roq n GLN 214 Cb 0.08 0.93 0.08 0.00 0.00 0.00 0.00 30.24 31.34 2roq n GLN 214 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2roq n ASN 215 N -1.73 -3.59 -0.45 2.61 3.02 -1.26 -4.92 115.26 108.94 2roq n ASN 215 Ca -0.01 -0.66 0.11 0.00 -0.03 0.00 0.00 54.58 54.00 2roq n ASN 215 Cb 0.20 -5.13 0.02 0.00 -0.61 0.00 0.00 39.78 34.26 2roq n ASN 215 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 2roq n TRP 216 N -3.83 0.00 0.54 3.10 2.14 -1.26 -4.16 117.44 113.97 2roq n TRP 216 Ca -0.22 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.44 2roq n TRP 216 Cb 0.65 -0.01 0.37 0.00 -0.81 0.00 0.00 31.31 31.51 2roq n TRP 216 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2roq n GLN 217 N -0.15 0.03 -0.61 -2.67 -0.06 -1.26 -3.05 117.38 109.60 2roq n GLN 217 Ca 0.09 0.25 -0.04 0.00 -2.00 0.00 0.00 57.00 55.30 2roq n GLN 217 Cb 0.45 -1.55 -0.06 0.00 -4.06 0.00 0.00 30.24 25.02 2roq n GLN 217 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2roq n GLU 218 N -1.61 1.22 -3.58 3.69 2.13 -1.26 -4.70 120.64 116.54 2roq n GLU 218 Ca 0.04 -0.35 -0.25 0.00 0.66 0.00 0.00 57.16 57.25 2roq n GLU 218 Cb 0.20 -1.41 0.04 0.00 0.27 0.00 0.00 31.44 30.54 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 1.96 -1.34 0.00 5.31 4.81 -1.24 -4.82 118.16 122.83 2roq n LYS 219 Ca 0.15 0.66 0.05 0.00 -0.87 0.00 0.00 58.31 58.30 2roq n LYS 219 Cb 0.58 -4.28 0.24 0.00 0.02 0.00 0.00 35.03 31.60 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 -3.63 0.02 -3.46 1.64 4.07 -1.17 -4.86 120.64 113.24 2roq n GLU 220 Ca -0.10 0.30 -0.20 0.00 -0.06 0.00 0.00 57.16 57.10 2roq n GLU 220 Cb 0.59 -1.50 0.08 0.00 -0.06 0.00 0.00 31.44 30.55 2roq n GLU 220 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2roq n ALA 221 N -1.48 -1.59 0.00 4.31 0.00 -1.26 -4.63 120.51 115.87 2roq n ALA 221 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2roq n ALA 221 Cb 0.13 -3.84 0.00 0.00 0.00 0.00 0.00 19.45 15.74 2roq n ALA 221 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2roq n ASN 222 N -2.93 0.00 0.04 0.00 3.02 -1.26 -4.97 115.26 109.16 2roq n ASN 222 Ca -0.13 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.36 2roq n ASN 222 Cb 0.61 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.67 2roq n ASN 222 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2roq h GLY 223 N 0.00 0.00 -7.47 7.41 0.00 -1.87 -3.41 103.07 97.72 2roq h GLY 223 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.61 2roq h GLY 223 CO 0.00 0.00 -0.32 1.08 0.00 0.00 0.00 176.54 177.30 2roq s LEU 224 N -6.42 5.69 0.19 3.11 1.43 -1.26 -5.02 118.68 116.40 2roq s LEU 224 Ca -0.01 -2.34 0.07 0.00 -1.03 0.00 0.00 54.13 50.82 2roq s LEU 224 Cb 0.09 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2roq s LEU 224 CO 0.81 -0.56 0.03 -1.81 0.23 0.00 0.00 176.35 175.06 2roq s ASP 225 N 1.91 4.92 0.00 2.29 1.11 -1.26 -4.89 116.67 120.75 2roq s ASP 225 Ca 0.11 -0.37 0.15 0.00 0.18 0.00 0.00 52.55 52.63 2roq s ASP 225 Cb -0.21 -1.09 0.90 0.00 1.07 0.00 0.00 42.92 43.58 2roq s ASP 225 CO -0.03 0.07 1.31 -0.81 1.18 0.00 0.00 175.17 176.89 2roq n PRO 226 N -0.30 0.49 -0.10 8.23 -0.04 -1.26 -2.39 135.00 139.62 2roq n PRO 226 Ca -0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.25 2roq n PRO 226 Cb 0.56 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 2roq n PRO 226 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 227 N -0.98 0.68 0.09 0.54 1.02 -1.26 -3.72 120.64 117.01 2roq n GLU 227 Ca 0.11 0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 57.10 2roq n GLU 227 Cb 0.05 -1.53 -0.12 0.00 -0.02 0.00 0.00 31.44 29.82 2roq n GLU 227 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2roq h VAL 228 N 0.00 1.34 -0.12 2.62 3.04 -1.87 -2.44 116.25 118.82 2roq h VAL 228 Ca -0.54 -2.58 -0.05 0.00 -1.01 0.00 0.00 66.70 62.51 2roq h VAL 228 Cb 2.16 2.71 -0.00 0.00 -2.01 0.00 0.00 31.29 34.15 2roq h VAL 228 CO 0.01 0.78 -0.14 -0.07 -1.01 0.00 0.00 177.57 177.13 2roq h LEU 229 N 0.23 0.33 -1.57 3.16 3.38 -1.74 -1.98 115.31 117.12 2roq h LEU 229 Ca -0.17 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 2roq h LEU 229 Cb 1.89 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 2roq h LEU 229 CO 0.22 0.76 -0.14 0.00 0.09 0.00 0.00 178.44 179.37 2roq h ALA 230 N 0.58 1.11 0.00 1.53 0.00 -1.68 -2.12 119.26 118.68 2roq h ALA 230 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2roq h ALA 230 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2roq h ALA 230 CO 0.03 0.17 -0.07 0.93 0.00 0.00 0.00 179.25 180.32 2roq h GLU 231 N 0.00 0.04 -0.68 0.00 4.39 -1.32 -2.13 114.58 114.88 2roq h GLU 231 Ca -0.00 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2roq h GLU 231 Cb 0.52 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2roq h GLU 231 CO 0.02 0.86 0.23 -0.84 -1.16 0.00 0.00 179.01 178.12 2roq h ILE 232 N -0.75 1.24 -0.23 3.13 3.07 -1.28 0.88 117.51 123.57 2roq h ILE 232 Ca -0.01 -0.81 -0.14 0.00 1.55 0.00 0.00 64.86 65.44 2roq h ILE 232 Cb 0.89 0.48 -0.01 0.00 -0.27 0.00 0.00 36.82 37.90 2roq h ILE 232 CO 0.01 0.32 -0.45 -1.13 -1.05 0.00 0.00 178.15 175.85 2roq h ASN 233 N 0.99 0.64 1.36 2.16 -0.73 -1.48 -2.09 115.58 116.43 2roq h ASN 233 Ca 0.22 -0.31 -0.07 0.00 1.87 0.00 0.00 56.30 58.02 2roq h ASN 233 Cb 0.25 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 2roq h ASN 233 CO -0.01 1.00 -0.35 0.03 -0.37 0.00 0.00 177.43 177.73 2roq h ARG 234 N 0.48 0.00 0.02 6.67 2.47 -1.03 -2.14 114.38 120.85 2roq h ARG 234 Ca 0.03 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 2roq h ARG 234 Cb 0.98 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.31 2roq h ARG 234 CO 0.09 0.35 -0.44 0.93 0.56 0.00 0.00 179.97 181.46 2roq h GLU 235 N 0.00 0.27 -0.33 0.04 4.39 -0.65 -2.10 114.58 116.20 2roq h GLU 235 Ca -0.00 -0.31 -0.18 0.00 0.34 0.00 0.00 59.36 59.21 2roq h GLU 235 Cb 1.12 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2roq h GLU 235 CO 0.05 1.04 -0.48 0.07 -1.16 0.00 0.00 179.01 178.52 2roq h ARG 236 N -0.36 0.91 0.00 2.33 0.11 -1.44 0.18 114.38 116.12 2roq h ARG 236 Ca -0.06 -0.54 -0.07 0.00 0.10 0.00 0.00 59.98 59.41 2roq h ARG 236 Cb 1.20 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2roq h ARG 236 CO 0.09 1.18 -0.33 1.49 0.10 0.00 0.00 179.97 182.50 2roq h GLU 237 N 0.72 0.00 0.00 0.08 4.81 -1.49 0.14 114.58 118.83 2roq h GLU 237 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2roq h GLU 237 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2roq h GLU 237 CO 0.11 0.33 -1.12 0.00 -0.73 0.00 0.00 179.01 177.61 2roq n ALA 238 N -2.33 3.09 -0.01 2.92 0.00 -0.79 -3.70 120.51 119.69 2roq n ALA 238 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 2roq n ALA 238 Cb 0.44 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.17 0.03 -0.23 0.00 7.35 0.63 -3.34 117.46 119.72 2roq n PHE 239 Ca 0.01 0.01 0.03 0.00 -0.76 0.00 0.00 57.45 56.74 2roq n PHE 239 Cb 0.48 -0.12 0.15 0.00 0.35 0.00 0.00 39.48 40.34 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 -0.13 0.05 0.44 -2.13 7.12 -0.94 -2.84 115.31 116.88 2roq h LEU 240 Ca 0.00 0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 2roq h LEU 240 Cb 0.12 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 2roq h LEU 240 CO 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 178.44 178.10 2roq h ALA 241 N 1.55 -0.59 -3.71 1.25 0.00 -1.64 -3.44 119.26 112.68 2roq h ALA 241 Ca 0.37 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 2roq h ALA 241 Cb 0.59 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2roq h ALA 241 CO -0.45 -0.57 -0.30 0.00 0.00 0.00 0.00 179.25 177.93 2roq n ALA 242 N -2.70 -0.75 -3.83 0.00 0.00 -1.07 -1.11 120.51 111.05 2roq n ALA 242 Ca -0.08 0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 2roq n ALA 242 Cb 0.26 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.74 -4.61 0.00 0.00 6.02 -1.26 -4.93 117.38 109.86 2roq n GLN 243 Ca -0.14 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 2roq n GLN 243 Cb 0.60 -5.10 0.00 0.00 1.02 0.00 0.00 30.24 26.76 2roq n GLN 243 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2roq n GLN 244 N -4.40 0.00 0.00 -1.09 7.27 -0.27 -5.19 117.38 113.71 2roq n GLN 244 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.86 2roq n GLN 244 Cb 0.64 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.29 2roq n GLN 244 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2roq n GLY 245 N -0.01 3.62 0.03 1.69 0.00 -1.26 -4.71 105.19 104.55 2roq n GLY 245 Ca 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.47 2roq n GLY 245 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2roq n SER 246 N 0.00 0.31 -4.49 1.61 2.88 -1.26 -4.83 113.62 107.84 2roq n SER 246 Ca 0.00 0.43 -0.43 0.00 -1.33 0.00 0.00 58.87 57.54 2roq n SER 246 Cb 0.00 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 62.90 2roq n SER 246 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2roq n THR 247 N -1.74 0.03 0.10 2.46 -1.04 -1.26 -4.77 114.28 108.05 2roq n THR 247 Ca 0.06 -0.32 -0.04 0.00 -2.04 0.00 0.00 64.05 61.71 2roq n THR 247 Cb 0.37 -1.54 0.05 0.00 -1.82 0.00 0.00 70.33 67.40 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 14.30 0.05 0.00 8.00 0.87 -2.02 -3.46 113.55 131.29 2roq h SER 248 Ca -0.17 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2roq h SER 248 Cb 1.31 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2roq h SER 248 CO 1.20 0.80 0.00 1.07 -0.53 0.00 0.00 176.83 179.37 2roq n THR 249 N -3.65 0.00 0.08 2.23 5.66 -1.26 -4.99 114.28 112.35 2roq n THR 249 Ca -0.01 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.83 2roq n THR 249 Cb 0.74 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.43 2roq n THR 249 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2roq h GLU 250 N 0.00 -0.67 -0.85 1.09 4.57 -1.96 0.35 114.58 117.11 2roq h GLU 250 Ca 0.00 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2roq h GLU 250 Cb 0.00 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 2roq h GLU 250 CO 0.00 -0.44 0.46 1.25 -1.18 0.00 0.00 179.01 179.10 2roq h LEU 251 N -0.69 1.06 0.63 1.64 6.46 -1.95 -2.11 115.31 120.35 2roq h LEU 251 Ca 0.00 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 2roq h LEU 251 Cb 0.71 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2roq h LEU 251 CO -0.31 0.86 -0.36 -0.26 -0.62 0.00 0.00 178.44 177.74 2roq h PHE 252 N 1.19 -0.97 -0.49 1.25 0.04 -1.72 0.97 116.94 117.23 2roq h PHE 252 Ca 0.30 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.20 2roq h PHE 252 Cb 0.03 0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 2roq h PHE 252 CO 0.01 -0.56 0.43 0.00 -0.60 0.00 0.00 178.31 177.60 2roq h THR 253 N -0.93 0.51 0.06 -1.55 1.03 -0.28 -1.56 112.91 110.20 2roq h THR 253 Ca -0.09 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.31 2roq h THR 253 Cb 0.73 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 2roq h THR 253 CO 0.10 0.00 -0.03 0.74 -0.01 0.00 0.00 175.52 176.32 2roq h THR 254 N 0.00 1.22 0.31 0.00 2.02 -0.85 -2.14 112.91 113.48 2roq h THR 254 Ca 0.23 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 2roq h THR 254 Cb 1.09 2.11 -0.00 0.00 -1.74 0.00 0.00 68.15 69.61 2roq h THR 254 CO -0.00 0.34 -0.22 0.40 0.37 0.00 0.00 175.52 176.41 2roq h ILE 255 N -0.80 0.00 -0.99 3.11 1.08 0.12 0.24 117.51 120.27 2roq h ILE 255 Ca -0.01 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.64 2roq h ILE 255 Cb 0.62 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.27 2roq h ILE 255 CO 0.01 0.00 0.60 -0.08 -0.69 0.00 0.00 178.15 178.00 2roq h GLU 256 N -0.51 0.77 0.00 2.37 4.81 -1.53 0.30 114.58 120.79 2roq h GLU 256 Ca -0.04 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2roq h GLU 256 Cb 0.41 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2roq h GLU 256 CO 0.02 0.51 -0.19 0.78 -0.73 0.00 0.00 179.01 179.40 2roq h GLY 257 N 0.79 0.00 1.01 1.92 0.00 -1.14 -2.09 103.07 103.56 2roq h GLY 257 Ca 0.56 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.68 2roq h GLY 257 CO -0.36 0.00 -0.83 3.45 0.00 0.00 0.00 176.54 178.79 2roq h ASN 258 N 0.00 0.74 -0.20 0.19 7.08 0.30 -2.10 115.58 121.60 2roq h ASN 258 Ca -0.00 -0.74 -0.09 0.00 -3.08 0.00 0.00 56.30 52.39 2roq h ASN 258 Cb 0.62 -0.23 -0.00 0.00 -2.08 0.00 0.00 38.32 36.63 2roq h ASN 258 CO 0.02 1.39 -0.22 0.22 -2.08 0.00 0.00 177.43 176.76 2roq h TYR 259 N 0.18 0.61 -0.50 4.14 3.20 -1.28 0.15 116.97 123.46 2roq h TYR 259 Ca -0.10 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.54 2roq h TYR 259 Cb 1.51 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.63 2roq h TYR 259 CO 0.12 0.87 0.17 0.00 -1.64 0.00 0.00 178.16 177.68 2roq h ALA 260 N 0.64 0.66 -0.20 1.82 0.00 -1.48 -2.11 119.26 118.59 2roq h ALA 260 Ca 0.03 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 2roq h ALA 260 Cb 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2roq h ALA 260 CO 0.05 0.30 -0.65 -0.44 0.00 0.00 0.00 179.25 178.51 2roq h ASP 261 N 0.68 0.86 -0.14 0.00 3.32 -1.39 -1.33 116.42 118.42 2roq h ASP 261 Ca 0.16 -0.51 0.03 0.00 0.02 0.00 0.00 57.03 56.73 2roq h ASP 261 Cb 0.25 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2roq h ASP 261 CO -0.01 1.29 -0.04 0.00 -1.72 0.00 0.00 179.24 178.76 2roq h ALA 262 N 0.71 0.09 0.00 3.45 0.00 -0.55 0.27 119.26 123.22 2roq h ALA 262 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 262 Cb 1.26 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2roq h ALA 262 CO 0.13 -0.49 0.00 1.33 0.00 0.00 0.00 179.25 180.22 2roq n VAL 263 N -5.18 0.60 -0.07 0.00 0.24 -0.80 -1.46 118.33 111.66 2roq n VAL 263 Ca -0.04 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 2roq n VAL 263 Cb 0.10 -0.66 -0.11 0.00 -1.47 0.00 0.00 33.84 31.71 2roq n VAL 263 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2roq h ARG 264 N 0.00 0.00 -0.00 7.34 9.65 -0.24 -3.34 114.38 127.79 2roq h ARG 264 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2roq h ARG 264 Cb 0.67 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2roq h ARG 264 CO 0.00 0.84 -0.18 1.47 2.80 0.00 0.00 179.97 184.90 2roq n LEU 265 N -4.61 0.21 -0.34 3.80 -0.00 0.85 -3.92 117.00 112.99 2roq n LEU 265 Ca -0.12 0.29 0.25 0.00 -0.00 0.00 0.00 56.01 56.43 2roq n LEU 265 Cb 0.44 -0.38 0.52 0.00 -0.00 0.00 0.00 43.42 44.00 2roq n LEU 265 CO 0.27 0.05 1.21 0.25 -0.00 0.00 0.00 177.39 179.17 2roq h LEU 266 N 0.05 0.42 -1.17 1.47 6.46 -1.38 0.39 115.31 121.55 2roq h LEU 266 Ca 0.00 0.10 0.13 0.00 -0.12 0.00 0.00 57.88 57.99 2roq h LEU 266 Cb 0.48 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 40.37 2roq h LEU 266 CO 0.00 0.04 0.60 0.00 -0.62 0.00 0.00 178.44 178.45 2roq h THR 267 N 0.35 0.88 0.00 1.05 1.03 -1.80 -1.03 112.91 113.39 2roq h THR 267 Ca 0.64 -0.28 -0.20 0.00 -0.01 0.00 0.00 66.41 66.56 2roq h THR 267 Cb 1.67 -0.02 -0.03 0.00 -1.07 0.00 0.00 68.15 68.70 2roq h THR 267 CO -0.33 0.15 -1.14 0.74 -0.01 0.00 0.00 175.52 174.93 2roq h THR 268 N 0.82 1.06 -2.25 0.00 2.02 -0.56 -3.47 112.91 110.53 2roq h THR 268 Ca 0.47 -2.68 -0.58 0.00 0.77 0.00 0.00 66.41 64.38 2roq h THR 268 Cb 0.61 2.48 0.05 0.00 -1.74 0.00 0.00 68.15 69.55 2roq h THR 268 CO -0.23 0.61 0.87 0.00 0.37 0.00 0.00 175.52 177.14 2roq n ALA 269 N -2.38 1.37 -2.56 6.16 0.00 -0.39 -4.98 120.51 117.73 2roq n ALA 269 Ca -0.05 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 2roq n ALA 269 Cb 0.90 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 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 1.57 2.99 -0.00 0.00 3.76 -1.26 -4.69 115.29 117.65 2roq s HIS 270 Ca 0.81 -0.25 -0.00 0.00 -0.15 0.00 0.00 55.06 55.47 2roq s HIS 270 Cb -0.67 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 31.26 2roq s HIS 270 CO 0.40 0.20 0.01 0.45 -0.85 0.00 0.00 174.74 174.96 2roq s SER 271 N -4.00 -0.00 -0.07 1.40 0.15 -1.26 -4.71 113.70 105.21 2roq s SER 271 Ca 0.40 0.00 0.05 0.00 0.70 0.00 0.00 55.95 57.10 2roq s SER 271 Cb -0.07 0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 2roq s SER 271 CO 0.27 -0.02 -0.23 -0.69 1.20 0.00 0.00 173.24 173.77 2roq s VAL 272 N -0.06 1.92 0.31 4.45 1.01 -1.26 -4.97 120.40 121.81 2roq s VAL 272 Ca -0.01 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 2roq s VAL 272 Cb -0.01 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.63 2roq s VAL 272 CO -0.00 0.54 1.23 -2.16 0.00 0.00 0.00 175.10 174.70 2roq s PRO 273 N 0.02 4.46 0.42 2.72 0.04 -1.26 -4.27 135.00 137.13 2roq s PRO 273 Ca -0.08 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 2roq s PRO 273 Cb -0.15 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.18 2roq s PRO 273 CO 0.05 -0.04 0.92 -0.59 0.04 0.00 0.00 177.00 177.38 2roq s PHE 274 N -1.15 3.33 -0.38 0.56 -0.71 -1.26 -4.72 117.98 113.64 2roq s PHE 274 Ca 0.47 1.55 0.02 0.00 -1.04 0.00 0.00 56.93 57.93 2roq s PHE 274 Cb -0.37 -2.80 0.12 0.00 -1.21 0.00 0.00 43.02 38.76 2roq s PHE 274 CO 0.48 -0.09 0.15 -0.51 -1.34 0.00 0.00 175.22 173.91 2roq s ASP 275 N -2.24 4.08 0.00 1.98 1.01 -1.26 -4.88 116.67 115.36 2roq s ASP 275 Ca 0.61 -2.23 0.00 0.00 0.71 0.00 0.00 52.55 51.63 2roq s ASP 275 Cb -0.09 -1.16 0.00 0.00 1.01 0.00 0.00 42.92 42.68 2roq s ASP 275 CO 0.15 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.80 2roq n GLY 276 N 4.09 -0.60 2.94 0.21 0.00 -1.26 -4.66 105.19 105.91 2roq n GLY 276 Ca 0.04 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 2roq n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roq s LYS 277 N 0.00 1.50 -0.23 1.61 1.02 -1.26 -3.34 119.74 119.04 2roq s LYS 277 Ca 0.00 -0.28 -0.26 0.00 0.02 0.00 0.00 55.97 55.44 2roq s LYS 277 Cb 0.00 -1.44 0.08 0.00 -0.52 0.00 0.00 37.83 35.95 2roq s LYS 277 CO 0.00 -0.15 0.77 0.00 -0.92 0.00 0.00 175.35 175.05 2roq s ALA 278 N 1.29 -1.81 -0.13 5.17 0.00 -1.08 -2.77 121.76 122.42 2roq s ALA 278 Ca -0.03 1.88 -0.07 0.00 0.00 0.00 0.00 51.96 53.73 2roq s ALA 278 Cb -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 2roq s ALA 278 CO -0.03 -0.33 0.13 -0.08 0.00 0.00 0.00 175.76 175.45 2roq s THR 279 N 0.06 5.43 -0.16 0.00 -1.32 0.94 -3.41 115.64 117.18 2roq s THR 279 Ca -0.01 0.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.66 2roq s THR 279 Cb -0.04 -3.38 0.02 0.00 -1.51 0.00 0.00 72.50 67.59 2roq s THR 279 CO 0.01 0.59 -0.20 -0.22 -2.21 0.00 0.00 174.62 172.59 2roq s LEU 280 N -0.80 2.07 -0.20 9.08 1.98 -1.15 -1.64 118.68 128.01 2roq s LEU 280 Ca 0.14 -0.61 -0.12 0.00 -2.89 0.00 0.00 54.13 50.65 2roq s LEU 280 Cb -0.12 -1.42 -0.05 0.00 0.66 0.00 0.00 46.19 45.26 2roq s LEU 280 CO 0.03 0.03 0.24 0.12 -1.89 0.00 0.00 176.35 174.88 2roq s PHE 281 N 1.08 3.40 0.31 5.38 2.19 0.68 -3.04 117.98 127.98 2roq s PHE 281 Ca -0.01 0.44 -0.10 0.00 0.33 0.00 0.00 56.93 57.59 2roq s PHE 281 Cb -0.14 -2.31 -0.07 0.00 -1.31 0.00 0.00 43.02 39.19 2roq s PHE 281 CO -0.07 0.17 0.66 0.54 1.83 0.00 0.00 175.22 178.34 2roq s VAL 282 N 0.73 4.85 -0.91 3.12 0.11 -1.00 -2.25 120.40 125.03 2roq s VAL 282 Ca 0.13 0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 59.72 2roq s VAL 282 Cb -0.13 -3.67 0.25 0.00 -1.53 0.00 0.00 36.38 31.30 2roq s VAL 282 CO 0.03 -0.27 0.94 0.00 -3.33 0.00 0.00 175.10 172.47 2roq n ALA 283 N -0.66 4.13 0.29 1.54 0.00 -1.26 -3.74 120.51 120.82 2roq n ALA 283 Ca 0.01 -4.67 0.15 0.00 0.00 0.00 0.00 53.44 48.93 2roq n ALA 283 Cb 0.53 -1.75 0.90 0.00 0.00 0.00 0.00 19.45 19.13 2roq n ALA 283 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2roq h GLU 284 N 5.65 0.00 -0.82 0.00 4.81 -1.70 0.76 114.58 123.29 2roq h GLU 284 Ca 0.18 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.64 2roq h GLU 284 Cb 0.75 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2roq h GLU 284 CO 0.96 0.00 0.59 0.00 -0.73 0.00 0.00 179.01 179.82 2roq h ARG 285 N 0.00 0.02 0.00 1.92 2.47 -1.76 -2.44 114.38 114.59 2roq h ARG 285 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2roq h ARG 285 Cb 0.01 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2roq h ARG 285 CO -0.00 0.01 -0.63 -2.37 0.56 0.00 0.00 179.97 177.54 2roq n THR 286 N -4.30 0.00 -3.96 2.04 5.66 -0.69 -4.94 114.28 108.08 2roq n THR 286 Ca 0.17 -0.17 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2roq n THR 286 Cb 0.87 0.66 -0.12 0.00 -1.55 0.00 0.00 70.33 70.20 2roq n THR 286 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2roq s LEU 287 N -2.57 3.49 0.00 1.09 2.96 0.18 -5.10 118.68 118.73 2roq s LEU 287 Ca 0.00 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2roq s LEU 287 Cb 0.00 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.79 2roq s LEU 287 CO 0.00 0.07 0.00 1.67 -1.32 0.00 0.00 176.35 176.77 2roq n GLN 288 N 4.25 -0.74 0.00 1.98 7.27 -1.26 -4.23 117.38 124.65 2roq n GLN 288 Ca -0.17 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.06 2roq n GLN 288 Cb 0.52 0.00 0.87 0.00 2.41 0.00 0.00 30.24 34.04 2roq n GLN 288 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2roq n GLU 289 N -1.27 0.79 -0.23 3.69 4.71 -1.26 -3.83 120.64 123.25 2roq n GLU 289 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.16 57.35 2roq n GLU 289 Cb 0.00 -1.50 0.53 0.00 -1.01 0.00 0.00 31.44 29.46 2roq n GLU 289 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2roq h GLY 290 N 4.93 0.77 -3.31 0.62 0.00 -2.03 -3.41 103.07 100.64 2roq h GLY 290 Ca 0.00 -0.17 -0.54 0.00 0.00 0.00 0.00 47.33 46.62 2roq h GLY 290 CO 0.00 -0.00 0.67 1.06 0.00 0.00 0.00 176.54 178.27 2roq s MET 291 N -5.38 3.64 0.26 4.80 1.00 -1.25 -5.02 119.30 117.35 2roq s MET 291 Ca -0.08 2.34 0.08 0.00 0.00 0.00 0.00 55.69 58.03 2roq s MET 291 Cb 0.22 -2.60 -0.04 0.00 0.00 0.00 0.00 34.83 32.42 2roq s MET 291 CO 0.78 -0.83 0.15 -1.54 0.00 0.00 0.00 175.02 173.59 2roq s SER 292 N -0.63 5.26 1.11 3.03 1.04 -1.26 -5.13 113.70 117.13 2roq s SER 292 Ca 0.62 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.60 2roq s SER 292 Cb -0.42 -1.24 0.13 0.00 0.10 0.00 0.00 66.02 64.59 2roq s SER 292 CO 0.53 -0.05 0.47 -0.81 0.98 0.00 0.00 173.24 174.36 2roq n PRO 293 N -1.12 -1.94 -3.65 4.02 -0.04 -1.26 -5.10 135.00 125.91 2roq n PRO 293 Ca -0.07 -0.74 -0.01 0.00 -0.04 0.00 0.00 63.50 62.63 2roq n PRO 293 Cb 0.58 -0.70 -0.03 0.00 -0.04 0.00 0.00 33.50 33.31 2roq n PRO 293 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2roq s GLU 294 N -4.06 0.01 -0.06 0.54 -6.30 -1.26 -5.19 118.70 102.37 2roq s GLU 294 Ca 0.30 -0.00 -0.24 0.00 -2.50 0.00 0.00 54.97 52.53 2roq s GLU 294 Cb -0.03 0.00 0.08 0.00 0.00 0.00 0.00 34.13 34.18 2roq s GLU 294 CO 0.23 -0.00 1.09 0.54 0.02 0.00 0.00 175.26 177.14 2roq n ARG 295 N 0.31 0.04 -1.55 4.30 5.12 -1.26 -4.77 116.66 118.85 2roq n ARG 295 Ca 0.03 -0.47 0.00 0.00 -1.93 0.00 0.00 57.85 55.48 2roq n ARG 295 Cb 0.58 0.87 0.00 0.00 -1.16 0.00 0.00 32.46 32.75 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2roq n ALA 296 N -1.37 0.00 -2.93 7.54 0.00 -1.25 -5.08 120.51 117.42 2roq n ALA 296 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2roq n ALA 296 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2roq n ALA 296 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2roq s TRP 297 N -4.19 -1.05 0.00 0.00 0.23 -1.20 -4.85 118.94 107.89 2roq s TRP 297 Ca 0.00 0.04 0.00 0.00 -2.03 0.00 0.00 56.10 54.11 2roq s TRP 297 Cb 0.00 0.20 0.00 0.00 0.03 0.00 0.00 33.47 33.70 2roq s TRP 297 CO 0.00 -0.74 0.00 -1.13 0.96 0.00 0.00 176.95 176.04 2roq n SER 298 N 3.77 0.00 -3.55 2.95 3.41 -1.26 -5.05 113.62 113.88 2roq n SER 298 Ca 0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.30 2roq n SER 298 Cb 0.60 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 2roq n SER 298 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2roq n PRO 299 N -0.01 1.44 0.00 4.33 -0.04 -1.26 -3.23 135.00 136.24 2roq n PRO 299 Ca 0.00 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 2roq n PRO 299 Cb 0.00 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 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 7.17 0.00 -1.87 0.54 5.03 -1.26 -4.94 117.44 122.11 2roq n TRP 300 Ca 0.48 0.00 -0.12 0.00 3.03 0.00 0.00 57.50 60.89 2roq n TRP 300 Cb 0.37 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.62 2roq n TRP 300 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77 2roq n ILE 301 N 0.00 -0.27 0.39 -0.99 5.41 -1.23 -4.75 119.36 117.92 2roq n ILE 301 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 2roq n ILE 301 Cb 0.00 -1.40 0.03 0.00 -0.71 0.00 0.00 39.64 37.55 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2roq n ALA 302 N -0.89 2.57 -3.18 -1.39 0.00 -1.20 -4.84 120.51 111.58 2roq n ALA 302 Ca -0.13 -0.52 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 2roq n ALA 302 Cb 0.49 -0.31 -0.13 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.92 3.46 0.19 0.00 8.01 -1.21 -3.20 118.70 125.02 2roq s GLU 303 Ca 0.10 -0.60 -0.24 0.00 0.01 0.00 0.00 54.97 54.24 2roq s GLU 303 Cb 0.08 -3.27 0.05 0.00 -4.31 0.00 0.00 34.13 26.68 2roq s GLU 303 CO 0.15 -0.25 0.84 -0.48 0.01 0.00 0.00 175.26 175.53 2roq s LEU 304 N 1.56 -0.24 -0.42 1.80 0.05 -1.26 -2.64 118.68 117.53 2roq s LEU 304 Ca 0.05 -0.43 0.02 0.00 0.05 0.00 0.00 54.13 53.82 2roq s LEU 304 Cb -0.15 2.39 0.13 0.00 -2.05 0.00 0.00 46.19 46.51 2roq s LEU 304 CO 0.02 -1.06 0.22 -0.62 -0.55 0.00 0.00 176.35 174.36 2roq s ASP 305 N -2.89 3.64 -0.43 1.48 -1.08 -1.22 -4.94 116.67 111.23 2roq s ASP 305 Ca 0.11 -2.51 -0.25 0.00 -0.52 0.00 0.00 52.55 49.38 2roq s ASP 305 Cb -0.03 -0.98 0.02 0.00 -1.46 0.00 0.00 42.92 40.48 2roq s ASP 305 CO 0.02 -0.28 0.88 0.27 0.52 0.00 0.00 175.17 176.58 2roq s ILE 306 N 0.52 4.56 0.15 4.11 -4.36 -1.26 -2.95 121.20 121.96 2roq s ILE 306 Ca 0.17 0.78 0.08 0.00 -0.26 0.00 0.00 60.65 61.42 2roq s ILE 306 Cb -0.24 -4.36 -0.04 0.00 1.25 0.00 0.00 42.46 39.07 2roq s ILE 306 CO -0.01 -0.71 -0.09 -0.31 0.24 0.00 0.00 174.94 174.06 2roq s TYR 307 N 3.52 2.70 -0.22 1.37 2.02 -1.17 -5.00 117.35 120.57 2roq s TYR 307 Ca 0.35 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 56.84 2roq s TYR 307 Cb -0.11 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2roq s TYR 307 CO 0.23 0.47 -0.07 1.03 -1.57 0.00 0.00 175.55 175.64 2roq s ARG 308 N -2.56 3.15 -0.14 -0.62 1.81 -1.26 -2.39 118.95 116.94 2roq s ARG 308 Ca 0.23 -0.76 -0.07 0.00 -1.72 0.00 0.00 55.73 53.41 2roq s ARG 308 Cb -0.10 -2.94 0.06 0.00 -0.45 0.00 0.00 34.95 31.52 2roq s ARG 308 CO 0.15 -0.26 0.32 -1.14 -0.68 0.00 0.00 175.30 173.69 2roq s GLN 309 N 1.41 0.28 -0.75 3.54 0.74 -1.24 -5.02 119.66 118.60 2roq s GLN 309 Ca 0.04 0.70 -0.26 0.00 0.05 0.00 0.00 55.36 55.90 2roq s GLN 309 Cb -0.15 -0.03 -0.06 0.00 1.10 0.00 0.00 33.01 33.87 2roq s GLN 309 CO -0.05 -0.19 2.08 0.16 -0.55 0.00 0.00 175.29 176.74 2roq s ASP 310 N 1.60 4.83 0.11 6.67 -4.77 -1.26 -2.82 116.67 121.03 2roq s ASP 310 Ca -0.07 -0.05 -0.12 0.00 -3.30 0.00 0.00 52.55 49.01 2roq s ASP 310 Cb -0.10 -2.54 0.02 0.00 -1.09 0.00 0.00 42.92 39.20 2roq s ASP 310 CO -0.10 -2.90 0.30 0.00 0.70 0.00 0.00 175.17 173.16 2roq s ALA 312 N -3.82 2.53 0.59 0.00 0.00 -1.26 -3.92 121.76 115.88 2roq s ALA 312 Ca 0.04 -1.64 0.29 0.00 0.00 0.00 0.00 51.96 50.65 2roq s ALA 312 Cb 0.03 -0.33 1.50 0.00 0.00 0.00 0.00 23.12 24.33 2roq s ALA 312 CO -0.11 0.43 1.93 1.12 0.00 0.00 0.00 175.76 179.13 2roq h HIS 313 N 3.22 0.00 0.00 0.00 2.07 -1.97 0.33 115.15 118.80 2roq h HIS 313 Ca -0.46 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 56.69 2roq h HIS 313 Cb 1.21 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.12 2roq h HIS 313 CO 0.69 0.00 -2.36 1.33 -3.07 0.00 0.00 177.93 174.52 2roq n VAL 314 N -3.75 1.36 -0.13 6.12 0.24 -1.26 -4.28 118.33 116.64 2roq n VAL 314 Ca 0.07 -0.83 0.05 0.00 -2.04 0.00 0.00 64.34 61.59 2roq n VAL 314 Cb 0.61 -0.50 0.26 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.75 3.86 -0.00 -1.34 -0.08 -0.24 -3.80 116.55 112.20 2roq n ASP 315 Ca -0.33 -2.51 0.01 0.00 -1.51 0.00 0.00 54.79 50.45 2roq n ASP 315 Cb 1.14 -0.58 -0.02 0.00 2.34 0.00 0.00 41.12 44.00 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roq n ILE 316 N 0.48 0.00 0.18 5.18 3.06 0.10 -4.35 119.36 124.02 2roq n ILE 316 Ca 0.18 -0.06 0.12 0.00 -2.50 0.00 0.00 62.75 60.48 2roq n ILE 316 Cb 0.80 0.46 0.09 0.00 0.54 0.00 0.00 39.64 41.54 2roq n ILE 316 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 2roq h ILE 317 N 0.00 0.00 -3.88 9.51 6.09 -1.75 -3.38 117.51 124.10 2roq h ILE 317 Ca 0.00 -0.98 -0.52 0.00 -1.37 0.00 0.00 64.86 62.00 2roq h ILE 317 Cb 0.10 1.73 0.21 0.00 0.47 0.00 0.00 36.82 39.34 2roq h ILE 317 CO 0.00 0.00 -0.07 -1.54 -3.07 0.00 0.00 178.15 173.47 2roq n SER 318 N -2.87 -0.61 0.00 2.19 3.41 -1.26 -4.85 113.62 109.63 2roq n SER 318 Ca 0.02 0.34 0.07 0.00 -0.26 0.00 0.00 58.87 59.04 2roq n SER 318 Cb 0.54 -1.37 0.38 0.00 -0.26 0.00 0.00 64.21 63.50 2roq n SER 318 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2roq n PRO 319 N -3.47 0.25 0.03 4.33 -0.04 -1.26 -2.82 135.00 132.01 2roq n PRO 319 Ca 0.09 0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 2roq n PRO 319 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 2.44 0.32 0.51 0.55 0.00 -1.93 -3.26 103.07 101.69 2roq h GLY 320 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 2roq h GLY 320 CO 0.00 0.71 -0.00 -0.84 0.00 0.00 0.00 176.54 176.40 2roq h THR 321 N 0.08 1.39 -0.37 4.70 2.02 -1.78 -2.13 112.91 116.82 2roq h THR 321 Ca -0.37 -1.15 0.06 0.00 0.77 0.00 0.00 66.41 65.71 2roq h THR 321 Cb 2.05 2.17 -0.05 0.00 -1.74 0.00 0.00 68.15 70.58 2roq h THR 321 CO 0.12 0.30 0.05 -0.26 0.37 0.00 0.00 175.52 176.10 2roq h PHE 322 N -0.49 0.08 0.00 3.16 0.04 -1.73 0.11 116.94 118.12 2roq h PHE 322 Ca 0.00 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2roq h PHE 322 Cb 0.49 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2roq h PHE 322 CO 0.10 -0.01 -0.18 1.05 -0.60 0.00 0.00 178.31 178.67 2roq h GLU 323 N 0.17 0.00 -0.04 1.51 4.11 -1.60 -2.59 114.58 116.14 2roq h GLU 323 Ca 0.18 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.36 2roq h GLU 323 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2roq h GLU 323 CO -0.25 0.18 -0.95 -0.22 0.07 0.00 0.00 179.01 177.83 2roq h LYS 324 N 0.00 0.67 -2.47 1.06 3.64 -0.39 -3.33 116.57 115.74 2roq h LYS 324 Ca -0.00 -0.66 -0.80 0.00 -1.27 0.00 0.00 60.65 57.92 2roq h LYS 324 Cb 0.34 0.18 -0.25 0.00 -0.41 0.00 0.00 32.23 32.09 2roq h LYS 324 CO 0.02 1.26 1.23 0.44 -2.27 0.00 0.00 179.45 180.14 2roq n ILE 325 N -3.85 5.79 -0.02 2.00 -5.35 0.23 -4.72 119.36 113.44 2roq n ILE 325 Ca -0.09 -5.68 -0.01 0.00 -0.27 0.00 0.00 62.75 56.70 2roq n ILE 325 Cb 0.84 -1.75 -0.00 0.00 -1.74 0.00 0.00 39.64 36.98 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 0.55 -0.61 0.00 3.28 0.00 -1.23 -3.78 105.19 103.40 2roq n GLY 326 Ca 0.45 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.77 0.19 -0.03 1.61 -0.04 -1.26 -1.85 135.00 130.85 2roq n PRO 327 Ca -0.02 0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2roq n PRO 327 Cb 0.06 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.31 1.48 -0.01 0.52 -6.64 -1.26 -3.08 119.36 109.06 2roq n ILE 328 Ca 0.07 -0.79 -0.14 0.00 -1.77 0.00 0.00 62.75 60.12 2roq n ILE 328 Cb 0.12 -0.85 -0.14 0.00 -1.44 0.00 0.00 39.64 37.33 2roq n ILE 328 CO 0.00 0.00 0.00 2.30 -1.77 0.00 0.00 176.55 177.08 2roq n ILE 329 N -2.94 1.67 0.08 7.28 -5.35 -1.00 -3.12 119.36 115.99 2roq n ILE 329 Ca -0.19 -0.74 -0.12 0.00 -0.27 0.00 0.00 62.75 61.43 2roq n ILE 329 Cb 1.04 -1.30 -0.06 0.00 -1.74 0.00 0.00 39.64 37.58 2roq n ILE 329 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 2roq h ARG 330 N 0.03 0.27 -0.12 6.28 0.11 -1.56 -1.92 114.38 117.47 2roq h ARG 330 Ca -0.34 -0.33 -0.24 0.00 0.10 0.00 0.00 59.98 59.17 2roq h ARG 330 Cb 2.03 0.11 0.01 0.00 1.11 0.00 0.00 29.97 33.22 2roq h ARG 330 CO 0.08 1.07 -0.85 0.00 0.10 0.00 0.00 179.97 180.37 2roq h ALA 331 N 0.81 0.26 -0.14 0.08 0.00 -1.70 -1.92 119.26 116.64 2roq h ALA 331 Ca -0.07 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.02 2roq h ALA 331 Cb 1.65 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 2roq h ALA 331 CO 0.16 0.68 -0.69 0.00 0.00 0.00 0.00 179.25 179.41 2roq h THR 332 N 0.51 1.33 0.00 0.00 1.03 -1.61 -1.78 112.91 112.39 2roq h THR 332 Ca -0.07 -1.98 -0.07 0.00 -0.01 0.00 0.00 66.41 64.28 2roq h THR 332 Cb 1.48 1.95 -0.01 0.00 -1.07 0.00 0.00 68.15 70.51 2roq h THR 332 CO 0.17 0.61 -0.32 -0.07 -0.01 0.00 0.00 175.52 175.90 2roq h LEU 333 N 0.42 0.00 0.00 0.00 3.38 -1.39 -2.05 115.31 115.67 2roq h LEU 333 Ca -0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 2roq h LEU 333 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2roq h LEU 333 CO 0.13 0.32 -1.20 0.78 0.09 0.00 0.00 178.44 178.57 2roq h ASN 334 N 0.00 0.00 1.27 -0.43 -0.26 -1.25 -1.65 115.58 113.26 2roq h ASN 334 Ca -0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.60 2roq h ASN 334 Cb 0.94 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.18 2roq h ASN 334 CO 0.04 0.88 -0.75 0.08 -1.06 0.00 0.00 177.43 176.62 2roq h ARG 335 N 0.00 0.00 0.00 0.81 -0.00 -1.23 -3.30 114.38 110.66 2roq h ARG 335 Ca -0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.82 2roq h ARG 335 Cb 1.77 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.73 2roq h ARG 335 CO 0.10 0.53 -1.57 1.47 -0.00 0.00 0.00 179.97 180.49 2roq n LEU 336 N -3.18 0.44 0.02 0.08 -0.00 -0.78 -4.40 117.00 109.18 2roq n LEU 336 Ca -0.01 0.18 -0.13 0.00 -0.00 0.00 0.00 56.01 56.05 2roq n LEU 336 Cb 0.79 0.03 -0.06 0.00 -0.00 0.00 0.00 43.42 44.17 2roq n LEU 336 CO 0.42 -0.01 0.58 -0.33 -0.00 0.00 0.00 177.39 178.05 2roq h GLU 337 N 0.00 -0.50 -5.83 1.47 5.08 -1.37 -3.47 114.58 109.96 2roq h GLU 337 Ca -0.06 0.03 -0.37 0.00 -1.00 0.00 0.00 59.36 57.96 2roq h GLU 337 Cb 1.18 0.11 0.12 0.00 0.50 0.00 0.00 28.75 30.66 2roq h GLU 337 CO 0.01 -0.34 -0.77 1.58 -1.00 0.00 0.00 179.01 178.49 2roq n HIS 338 N -5.44 -2.21 -4.03 4.33 -0.00 -1.26 -4.99 115.22 101.62 2roq n HIS 338 Ca -0.05 0.92 -0.11 0.00 0.46 0.00 0.00 57.72 58.94 2roq n HIS 338 Cb 0.36 -4.83 -0.05 0.00 -0.12 0.00 0.00 29.99 25.36 2roq n HIS 338 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2roq s HIS 339 N -3.44 0.62 0.54 1.57 4.02 -1.26 -5.18 115.29 112.16 2roq s HIS 339 Ca 0.12 -0.96 0.07 0.00 1.02 0.00 0.00 55.06 55.31 2roq s HIS 339 Cb -0.05 0.10 0.07 0.00 -1.02 0.00 0.00 32.58 31.68 2roq s HIS 339 CO 0.76 -1.06 0.55 -2.39 1.02 0.00 0.00 174.74 173.62 2roq n HIS 340 N -0.44 -1.31 -3.67 1.40 1.44 -1.26 -5.14 115.22 106.23 2roq n HIS 340 Ca -0.01 -2.17 -0.00 0.00 -2.01 0.00 0.00 57.72 53.53 2roq n HIS 340 Cb 0.62 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 30.25 2roq n HIS 340 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2roq n HIS 341 N -1.94 -0.41 0.00 -1.40 -0.00 -1.26 -5.08 115.22 105.13 2roq n HIS 341 Ca 0.05 -0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 2roq n HIS 341 Cb 0.60 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.64 2roq n HIS 341 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2roq n HIS 342 N -0.09 0.00 -1.80 -1.40 8.25 -1.26 -5.27 115.22 113.65 2roq n HIS 342 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2roq n HIS 342 Cb 0.06 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2roq n HIS 342 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56