#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq n LEU 2 N 0.00 -1.12 -4.77 -0.89 4.77 -1.26 -4.89 117.00 108.84 2roq n LEU 2 Ca 0.00 2.16 -0.35 0.00 -0.03 0.00 0.00 56.01 57.79 2roq n LEU 2 Cb 0.00 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 38.68 2roq n LEU 2 CO 0.00 -1.17 0.78 -2.16 -1.33 0.00 0.00 177.39 173.51 2roq s PRO 3 N -4.65 3.32 -0.02 3.23 0.04 -1.26 -5.06 135.00 130.61 2roq s PRO 3 Ca 0.00 1.59 0.07 0.00 0.04 0.00 0.00 61.00 62.71 2roq s PRO 3 Cb 0.00 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2roq s PRO 3 CO 0.00 -0.87 -0.24 -1.21 0.04 0.00 0.00 177.00 174.72 2roq s GLU 4 N -3.34 1.95 0.60 4.56 0.41 -1.26 -5.01 118.70 116.61 2roq s GLU 4 Ca 0.72 -0.86 0.31 0.00 -0.41 0.00 0.00 54.97 54.73 2roq s GLU 4 Cb -0.24 -1.89 1.86 0.00 -1.78 0.00 0.00 34.13 32.09 2roq s GLU 4 CO 0.28 0.52 2.24 -0.07 -0.49 0.00 0.00 175.26 177.73 2roq h LEU 5 N 5.54 0.00 1.72 1.80 3.38 -2.03 -3.45 115.31 122.26 2roq h LEU 5 Ca -0.42 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.20 2roq h LEU 5 Cb 1.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2roq h LEU 5 CO 0.47 0.00 -0.39 1.17 0.09 0.00 0.00 178.44 179.78 2roq n LYS 6 N -3.74 -1.32 0.00 1.13 3.00 -1.26 -4.18 118.16 111.79 2roq n LYS 6 Ca -0.02 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.27 2roq n LYS 6 Cb 0.13 -5.35 0.00 0.00 0.00 0.00 0.00 35.03 29.81 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2roq n ALA 7 N -0.36 0.00 -2.74 3.14 0.00 -1.26 -4.80 120.51 114.49 2roq n ALA 7 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 2roq n ALA 7 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2roq n ALA 7 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2roq n GLN 8 N 0.00 -3.14 -3.29 0.00 0.00 -1.26 -5.02 117.38 104.67 2roq n GLN 8 Ca 0.00 2.57 -0.24 0.00 -0.00 0.00 0.00 57.00 59.33 2roq n GLN 8 Cb 0.00 -5.44 -0.01 0.00 0.00 0.00 0.00 30.24 24.79 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2roq s ALA 9 N -1.92 3.68 -1.03 1.69 0.00 -1.26 -4.98 121.76 117.94 2roq s ALA 9 Ca 0.08 -0.89 0.14 0.00 0.00 0.00 0.00 51.96 51.28 2roq s ALA 9 Cb -0.02 -2.14 0.61 0.00 0.00 0.00 0.00 23.12 21.57 2roq s ALA 9 CO 0.77 -0.07 1.45 -0.35 0.00 0.00 0.00 175.76 177.56 2roq n PRO 10 N -1.84 0.01 0.00 0.00 -0.04 -1.26 -4.87 135.00 127.00 2roq n PRO 10 Ca -0.04 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2roq n PRO 10 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2roq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 11 N -0.04 -1.21 3.79 0.55 0.00 -1.26 -4.30 105.19 102.72 2roq n GLY 11 Ca 0.04 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 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 3.23 -0.64 1.61 1.70 -1.26 0.10 118.95 123.68 2roq s ARG 12 Ca 0.00 1.32 -0.01 0.00 -0.47 0.00 0.00 55.73 56.57 2roq s ARG 12 Cb 0.00 -2.01 -0.02 0.00 -0.57 0.00 0.00 34.95 32.35 2roq s ARG 12 CO 0.00 -0.90 0.59 0.00 -1.08 0.00 0.00 175.30 173.91 2roq n ALA 13 N -1.93 -2.19 -1.00 7.88 0.00 -1.26 -4.89 120.51 117.11 2roq n ALA 13 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 2roq n ALA 13 Cb 0.52 -2.23 0.01 0.00 0.00 0.00 0.00 19.45 17.75 2roq n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roq n PRO 14 N -1.98 -1.12 0.00 0.00 -0.04 -1.26 -4.74 135.00 125.86 2roq n PRO 14 Ca -0.02 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2roq n PRO 14 Cb 0.53 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 2roq n PRO 14 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2roq n LYS 15 N -1.67 -0.85 -0.03 0.54 4.81 -1.26 -4.94 118.16 114.76 2roq n LYS 15 Ca 0.01 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 2roq n LYS 15 Cb 0.03 0.00 0.33 0.00 0.02 0.00 0.00 35.03 35.40 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2roq n ALA 16 N -3.00 2.51 0.00 3.14 0.00 -1.26 -4.59 120.51 117.31 2roq n ALA 16 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2roq n ALA 16 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.26 0.04 0.08 0.00 0.00 -1.26 -4.90 105.19 100.42 2roq n GLY 17 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 2roq n GLY 17 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2roq h SER 18 N 0.00 -0.25 1.63 1.61 0.87 -1.94 -2.69 113.55 112.77 2roq h SER 18 Ca 0.00 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2roq h SER 18 Cb 0.00 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2roq h SER 18 CO 0.00 -0.09 -0.04 -0.33 -0.53 0.00 0.00 176.83 175.83 2roq h GLU 19 N -0.13 0.00 -0.65 2.24 3.07 -1.90 -3.28 114.58 113.93 2roq h GLU 19 Ca -0.00 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.98 2roq h GLU 19 Cb 0.13 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.95 2roq h GLU 19 CO -0.04 0.04 0.18 1.15 -1.40 0.00 0.00 179.01 178.94 2roq h THR 20 N 0.00 0.64 0.00 1.13 2.02 -1.75 0.32 112.91 115.28 2roq h THR 20 Ca -0.00 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 2roq h THR 20 Cb 0.87 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2roq h THR 20 CO 0.01 0.06 -0.42 0.16 0.37 0.00 0.00 175.52 175.69 2roq h ILE 21 N 0.32 1.27 0.32 3.11 3.07 -1.54 -2.17 117.51 121.89 2roq h ILE 21 Ca 0.35 -1.46 -0.02 0.00 1.55 0.00 0.00 64.86 65.28 2roq h ILE 21 Cb 0.53 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 2roq h ILE 21 CO -0.41 0.41 -0.15 0.40 -1.05 0.00 0.00 178.15 177.35 2roq h ILE 22 N 0.00 0.01 -0.74 0.16 1.08 -0.96 -2.17 117.51 114.90 2roq h ILE 22 Ca -0.00 -0.69 0.16 0.00 -0.39 0.00 0.00 64.86 63.94 2roq h ILE 22 Cb 0.76 0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 2roq h ILE 22 CO 0.05 0.00 0.50 0.00 -0.69 0.00 0.00 178.15 178.02 2roq h ALA 23 N -1.11 2.25 -0.23 1.87 0.00 -0.56 -0.62 119.26 120.86 2roq h ALA 23 Ca -0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2roq h ALA 23 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2roq h ALA 23 CO 0.07 -0.45 -0.46 0.00 0.00 0.00 0.00 179.25 178.41 2roq h ALA 24 N 1.65 0.36 -0.90 0.00 0.00 -1.45 -2.12 119.26 116.79 2roq h ALA 24 Ca 0.36 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2roq h ALA 24 Cb 0.97 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2roq h ALA 24 CO -0.10 0.51 0.58 0.00 0.00 0.00 0.00 179.25 180.24 2roq h ALA 25 N 0.62 1.32 0.30 0.00 0.00 -0.45 0.69 119.26 121.74 2roq h ALA 25 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2roq h ALA 25 Cb 1.06 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2roq h ALA 25 CO 0.10 0.61 -0.14 0.74 0.00 0.00 0.00 179.25 180.56 2roq h PHE 26 N 1.23 -0.37 0.00 0.00 0.04 -1.36 -0.43 116.94 116.05 2roq h PHE 26 Ca 0.33 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.09 2roq h PHE 26 Cb -0.11 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2roq h PHE 26 CO 0.00 -0.02 0.00 0.66 -0.60 0.00 0.00 178.31 178.35 2roq h SER 27 N -0.91 0.00 0.22 2.17 4.64 -1.30 0.54 113.55 118.90 2roq h SER 27 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2roq h SER 27 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2roq h SER 27 CO 0.07 0.00 -1.19 -1.20 -0.87 0.00 0.00 176.83 173.63 2roq n SER 28 N -2.70 0.61 -0.02 4.97 7.64 0.23 -0.51 113.62 123.83 2roq n SER 28 Ca -0.02 -0.41 -0.02 0.00 1.01 0.00 0.00 58.87 59.43 2roq n SER 28 Cb 0.08 1.08 -0.01 0.00 -1.01 0.00 0.00 64.21 64.35 2roq n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2roq n LEU 29 N -1.87 0.47 0.00 -3.43 4.77 0.22 -4.94 117.00 112.22 2roq n LEU 29 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2roq n LEU 29 Cb 0.43 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2roq n LEU 29 CO 0.42 -0.46 -0.28 0.00 -1.33 0.00 0.00 177.39 175.75 2roq n LEU 30 N -2.95 0.00 -0.11 2.23 -0.00 -0.18 -4.86 117.00 111.12 2roq n LEU 30 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.86 2roq n LEU 30 Cb 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.45 2roq n LEU 30 CO 0.05 0.00 0.50 1.23 -0.00 0.00 0.00 177.39 179.16 2roq h GLY 31 N 0.00 -1.13 0.00 1.47 0.00 -0.25 -3.45 103.07 99.71 2roq h GLY 31 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 47.33 48.06 2roq h GLY 31 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.34 2roq n ASP 33 N -0.46 0.00 -4.88 0.00 -0.08 -1.26 -5.04 116.55 104.83 2roq n ASP 33 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 2roq n ASP 33 Cb 0.23 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.64 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2roq s VAL 34 N 0.00 5.29 -0.07 5.18 1.01 -1.26 -4.98 120.40 125.57 2roq s VAL 34 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2roq s VAL 34 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.99 2roq s VAL 34 CO 0.00 0.31 0.94 1.67 0.00 0.00 0.00 175.10 178.02 2roq n GLN 35 N 0.92 0.29 -3.91 2.72 7.27 -1.26 -4.46 117.38 118.95 2roq n GLN 35 Ca -0.11 -0.85 -0.24 0.00 0.07 0.00 0.00 57.00 55.87 2roq n GLN 35 Cb 0.52 0.46 -0.04 0.00 2.41 0.00 0.00 30.24 33.59 2roq n GLN 35 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2roq s ASP 36 N -0.83 4.66 0.00 1.69 1.11 -1.26 -4.68 116.67 117.36 2roq s ASP 36 Ca 0.02 -1.05 0.06 0.00 0.18 0.00 0.00 52.55 51.75 2roq s ASP 36 Cb 0.09 -0.19 -0.02 0.00 1.07 0.00 0.00 42.92 43.88 2roq s ASP 36 CO -0.03 -0.76 0.41 0.00 1.18 0.00 0.00 175.17 175.96 2roq n ALA 37 N -1.50 2.61 -1.45 5.23 0.00 0.11 -4.56 120.51 120.95 2roq n ALA 37 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 2roq n ALA 37 Cb 0.64 -0.20 0.20 0.00 0.00 0.00 0.00 19.45 20.09 2roq n ALA 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2roq n ASP 38 N -0.55 2.35 -4.72 0.00 -0.08 -1.26 -0.22 116.55 112.07 2roq n ASP 38 Ca 0.02 -3.75 -0.29 0.00 -1.51 0.00 0.00 54.79 49.26 2roq n ASP 38 Cb 0.11 -0.60 0.15 0.00 2.34 0.00 0.00 41.12 43.12 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 -3.22 1.37 -0.20 -1.67 0.00 -1.26 -4.93 121.76 111.86 2roq s ALA 39 Ca 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 2roq s ALA 39 Cb 0.39 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 20.46 2roq s ALA 39 CO -0.01 -2.52 -0.02 0.34 0.00 0.00 0.00 175.76 173.55 2roq s ASP 40 N -3.63 3.19 0.28 0.00 2.15 -1.26 -4.33 116.67 113.07 2roq s ASP 40 Ca 0.64 -0.89 -0.01 0.00 0.43 0.00 0.00 52.55 52.73 2roq s ASP 40 Cb -0.17 -0.89 0.63 0.00 -0.30 0.00 0.00 42.92 42.18 2roq s ASP 40 CO 0.56 -0.24 1.63 0.15 -0.17 0.00 0.00 175.17 177.10 2roq h PHE 41 N 8.11 0.18 -0.30 -5.34 3.04 -1.93 0.36 116.94 121.06 2roq h PHE 41 Ca -0.19 0.05 0.06 0.00 3.98 0.00 0.00 57.97 61.88 2roq h PHE 41 Cb 1.10 0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.61 2roq h PHE 41 CO 0.41 -0.24 -0.11 0.74 -2.02 0.00 0.00 178.31 177.09 2roq h PHE 42 N 0.15 -0.25 0.00 0.41 0.04 -1.91 0.44 116.94 115.82 2roq h PHE 42 Ca 0.51 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.31 2roq h PHE 42 Cb 1.00 0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.31 2roq h PHE 42 CO -0.34 -0.17 0.00 0.00 -0.60 0.00 0.00 178.31 177.19 2roq n ALA 43 N -2.63 2.41 0.65 2.45 0.00 0.33 -2.87 120.51 120.84 2roq n ALA 43 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.41 2roq n ALA 43 Cb 0.20 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 2roq n ALA 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 44 N -1.30 0.64 0.00 0.00 4.77 0.10 -4.97 117.00 116.24 2roq n LEU 44 Ca 0.13 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2roq n LEU 44 Cb 0.24 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2roq n LEU 44 CO 0.22 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2roq n GLY 45 N 1.41 1.06 3.72 -0.72 0.00 0.10 -4.59 105.19 106.17 2roq n GLY 45 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 2.15 -0.03 -0.02 0.00 0.12 -4.78 107.32 102.75 2roq s GLY 46 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 44.72 45.16 2roq s GLY 46 CO 0.00 1.14 1.32 -1.58 0.00 0.00 0.00 173.10 173.98 2roq s HIS 47 N -2.22 -0.01 0.63 1.90 2.46 -1.26 -4.74 115.29 112.05 2roq s HIS 47 Ca 0.71 -0.07 0.36 0.00 0.47 0.00 0.00 55.06 56.52 2roq s HIS 47 Cb -0.26 0.54 2.02 0.00 -0.13 0.00 0.00 32.58 34.75 2roq s HIS 47 CO 0.48 -0.21 2.24 0.00 -2.47 0.00 0.00 174.74 174.78 2roq h ALA 48 N 2.00 1.35 0.00 1.58 0.00 -1.96 0.24 119.26 122.48 2roq h ALA 48 Ca -0.28 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.39 2roq h ALA 48 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2roq h ALA 48 CO 0.30 -0.09 -1.63 1.28 0.00 0.00 0.00 179.25 179.11 2roq n LEU 49 N -3.44 1.91 0.02 0.00 4.77 -1.26 -3.61 117.00 115.39 2roq n LEU 49 Ca -0.02 0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2roq n LEU 49 Cb 0.15 -0.84 -0.05 0.00 -2.33 0.00 0.00 43.42 40.35 2roq n LEU 49 CO 0.23 0.16 0.84 -0.07 -1.33 0.00 0.00 177.39 177.23 2roq h LEU 50 N -1.00 -0.12 -1.90 2.23 -0.00 -1.84 0.81 115.31 113.50 2roq h LEU 50 Ca -0.36 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2roq h LEU 50 Cb 1.25 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2roq h LEU 50 CO -0.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 178.44 178.16 2roq h ALA 51 N 1.01 1.01 0.21 1.53 0.00 -0.76 -2.10 119.26 120.16 2roq h ALA 51 Ca 0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 2roq h ALA 51 Cb 0.09 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.91 2roq h ALA 51 CO -0.08 0.01 -1.24 1.98 0.00 0.00 0.00 179.25 179.92 2roq h MET 52 N 0.00 0.43 -0.17 0.00 1.85 -1.32 -1.71 114.93 114.01 2roq h MET 52 Ca -0.00 -0.74 -0.12 0.00 -0.61 0.00 0.00 59.70 58.23 2roq h MET 52 Cb 0.37 0.28 -0.01 0.00 0.43 0.00 0.00 31.60 32.66 2roq h MET 52 CO 0.00 1.36 -0.41 0.87 -0.40 0.00 0.00 176.91 178.32 2roq h LYS 53 N -0.07 0.40 0.05 0.39 1.79 -0.64 -2.16 116.57 116.33 2roq h LYS 53 Ca -0.22 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2roq h LYS 53 Cb 1.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.60 2roq h LYS 53 CO 0.22 0.75 -0.02 1.25 -1.08 0.00 0.00 179.45 180.56 2roq h LEU 54 N 0.33 -0.06 -0.41 2.94 6.46 -1.49 -2.12 115.31 120.97 2roq h LEU 54 Ca 0.03 -0.51 0.08 0.00 -0.12 0.00 0.00 57.88 57.36 2roq h LEU 54 Cb 0.87 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.73 2roq h LEU 54 CO 0.07 0.65 -0.12 0.00 -0.62 0.00 0.00 178.44 178.43 2roq h ALA 55 N -0.37 0.24 -0.24 1.25 0.00 -1.37 0.66 119.26 119.43 2roq h ALA 55 Ca -0.01 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2roq h ALA 55 Cb 0.56 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2roq h ALA 55 CO 0.01 -0.47 -0.23 0.00 0.00 0.00 0.00 179.25 178.56 2roq h ALA 56 N 1.36 1.17 -0.44 0.00 0.00 -1.52 -2.11 119.26 117.73 2roq h ALA 56 Ca 0.20 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2roq h ALA 56 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2roq h ALA 56 CO -0.44 0.53 0.16 0.37 0.00 0.00 0.00 179.25 179.87 2roq h GLN 57 N 0.40 0.67 -0.27 0.00 4.15 -0.41 -2.17 115.11 117.48 2roq h GLN 57 Ca 0.06 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 2roq h GLN 57 Cb 0.62 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2roq h GLN 57 CO 0.04 0.63 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.45 2roq h LEU 58 N 0.57 0.50 -2.55 -2.39 3.38 -0.80 -0.29 115.31 113.73 2roq h LEU 58 Ca 0.14 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2roq h LEU 58 Cb 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2roq h LEU 58 CO -0.01 0.74 0.04 0.77 0.09 0.00 0.00 178.44 180.07 2roq h SER 59 N 0.26 0.00 0.33 -0.43 4.64 -1.29 0.38 113.55 117.45 2roq h SER 59 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2roq h SER 59 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2roq h SER 59 CO 0.02 0.00 -1.35 0.54 -0.87 0.00 0.00 176.83 175.17 2roq n ARG 60 N -3.63 0.44 0.03 4.77 5.12 -0.83 -1.98 116.66 120.59 2roq n ARG 60 Ca -0.02 -0.05 0.11 0.00 -1.93 0.00 0.00 57.85 55.96 2roq n ARG 60 Cb 0.12 -1.60 -0.06 0.00 -1.16 0.00 0.00 32.46 29.76 2roq n ARG 60 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2roq n GLN 61 N -2.14 0.48 -0.01 5.56 1.13 0.02 -4.15 117.38 118.27 2roq n GLN 61 Ca -0.00 -0.04 0.04 0.00 -1.94 0.00 0.00 57.00 55.06 2roq n GLN 61 Cb 0.49 -1.62 0.04 0.00 0.11 0.00 0.00 30.24 29.25 2roq n GLN 61 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2roq n VAL 62 N -2.22 0.07 -2.02 5.09 0.24 0.11 -4.98 118.33 114.63 2roq n VAL 62 Ca -0.01 -0.54 -0.21 0.00 -2.04 0.00 0.00 64.34 61.55 2roq n VAL 62 Cb 0.51 1.11 -0.05 0.00 -1.47 0.00 0.00 33.84 33.94 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 0.42 -0.47 -4.10 2.33 0.00 -1.12 -4.96 120.51 112.61 2roq n ALA 63 Ca 0.05 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.69 2roq n ALA 63 Cb 0.21 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 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 -2.71 1.78 -3.95 0.00 3.00 -0.83 -5.02 116.66 108.92 2roq n ARG 64 Ca -0.23 -0.56 -0.31 0.00 -0.00 0.00 0.00 57.85 56.75 2roq n ARG 64 Cb 0.68 0.15 -0.14 0.00 0.00 0.00 0.00 32.46 33.16 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 -2.28 1.81 -0.08 -0.14 -1.52 -1.26 -4.45 119.66 111.75 2roq s GLN 65 Ca 0.00 -2.27 0.05 0.00 -1.95 0.00 0.00 55.36 51.19 2roq s GLN 65 Cb 0.00 -3.32 -0.01 0.00 -0.22 0.00 0.00 33.01 29.46 2roq s GLN 65 CO 0.00 -1.04 -0.23 0.54 -0.25 0.00 0.00 175.29 174.31 2roq s VAL 66 N 0.29 2.20 0.00 1.09 0.11 -1.26 -4.88 120.40 117.95 2roq s VAL 66 Ca 0.14 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2roq s VAL 66 Cb -0.23 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.80 2roq s VAL 66 CO -0.04 0.56 0.00 0.41 -3.33 0.00 0.00 175.10 172.71 2roq n THR 67 N 3.12 0.00 -2.09 5.04 -1.04 -1.25 -4.33 114.28 113.72 2roq n THR 67 Ca -0.18 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 2roq n THR 67 Cb 0.52 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 2roq n THR 67 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2roq s PRO 68 N 0.00 3.51 -1.43 -2.82 0.04 -1.26 -3.14 135.00 129.91 2roq s PRO 68 Ca 0.00 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2roq s PRO 68 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2roq s PRO 68 CO 0.00 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.81 2roq n GLY 69 N 5.15 0.58 2.53 0.56 0.00 -1.26 -4.83 105.19 107.93 2roq n GLY 69 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.35 1.34 0.00 1.61 1.13 -1.19 -3.52 117.38 114.40 2roq n GLN 70 Ca -0.16 -3.44 0.00 0.00 -1.94 0.00 0.00 57.00 51.47 2roq n GLN 70 Cb 0.55 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.42 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 -0.01 0.00 -2.12 5.09 0.31 -1.26 -3.97 118.33 116.36 2roq n VAL 71 Ca 0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.23 2roq n VAL 71 Cb 0.75 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.70 2roq n VAL 71 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2roq n MET 72 N -1.70 3.49 0.00 5.55 0.00 -1.26 -4.66 117.12 118.54 2roq n MET 72 Ca 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 57.70 53.49 2roq n MET 72 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 30.95 2roq n MET 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2roq n VAL 73 N -0.65 0.00 -0.24 3.17 0.24 -1.26 -4.88 118.33 114.71 2roq n VAL 73 Ca 0.44 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.78 2roq n VAL 73 Cb 0.84 0.00 0.15 0.00 -1.47 0.00 0.00 33.84 33.36 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 0.76 0.00 2.33 0.00 -1.82 -3.45 119.26 117.08 2roq h ALA 74 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2roq h ALA 74 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2roq h ALA 74 CO 0.00 -0.41 0.00 0.45 0.00 0.00 0.00 179.25 179.29 2roq n SER 75 N -5.31 0.00 -1.78 0.00 2.88 -1.26 -4.68 113.62 103.46 2roq n SER 75 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2roq n SER 75 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.09 2.46 5.66 -1.26 -5.01 114.28 116.22 2roq n THR 76 Ca 0.00 -0.09 -0.12 0.00 -3.05 0.00 0.00 64.05 60.79 2roq n THR 76 Cb 0.00 0.19 -0.07 0.00 -1.55 0.00 0.00 70.33 68.90 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 1.29 0.00 -0.70 1.08 2.07 -1.72 0.35 116.25 118.62 2roq h VAL 77 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 2roq h VAL 77 Cb 0.35 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.01 2roq h VAL 77 CO 0.10 0.00 -0.50 0.00 0.02 0.00 0.00 177.57 177.19 2roq h ALA 78 N -0.86 -0.43 -0.85 1.67 0.00 -0.92 0.20 119.26 118.07 2roq h ALA 78 Ca -0.01 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2roq h ALA 78 Cb 0.55 1.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 2roq h ALA 78 CO -0.19 -0.89 0.53 0.87 0.00 0.00 0.00 179.25 179.56 2roq h LYS 79 N -0.18 0.93 -0.98 0.00 1.79 -1.76 -1.44 116.57 114.93 2roq h LYS 79 Ca 0.17 -0.06 0.16 0.00 -2.18 0.00 0.00 60.65 58.75 2roq h LYS 79 Cb 0.53 -0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 30.88 2roq h LYS 79 CO -0.77 0.61 0.61 1.25 -1.08 0.00 0.00 179.45 180.08 2roq h LEU 80 N 0.96 0.79 -0.30 2.94 7.12 0.28 0.34 115.31 127.43 2roq h LEU 80 Ca 0.37 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.43 2roq h LEU 80 Cb 0.18 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.22 2roq h LEU 80 CO -0.17 0.35 -0.11 0.00 -0.13 0.00 0.00 178.44 178.38 2roq h ALA 81 N 1.60 0.94 0.00 1.25 0.00 -0.23 -2.28 119.26 120.54 2roq h ALA 81 Ca 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2roq h ALA 81 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2roq h ALA 81 CO -0.30 0.14 -0.46 0.00 0.00 0.00 0.00 179.25 178.63 2roq h THR 82 N 0.00 0.00 0.00 0.00 1.03 0.22 -2.24 112.91 111.92 2roq h THR 82 Ca -0.00 -0.56 -0.36 0.00 -0.01 0.00 0.00 66.41 65.48 2roq h THR 82 Cb 0.98 1.27 -0.07 0.00 -1.07 0.00 0.00 68.15 69.26 2roq h THR 82 CO 0.01 0.00 -2.29 2.30 -0.01 0.00 0.00 175.52 175.54 2roq n ILE 83 N -2.26 1.42 0.08 0.00 -5.35 0.13 -0.18 119.36 113.20 2roq n ILE 83 Ca 0.04 -0.85 0.08 0.00 -0.27 0.00 0.00 62.75 61.74 2roq n ILE 83 Cb 0.45 -0.56 -0.03 0.00 -1.74 0.00 0.00 39.64 37.77 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 -2.80 0.81 -0.12 7.28 -5.35 -0.87 -3.63 119.36 114.69 2roq n ILE 84 Ca -0.31 -0.60 -0.23 0.00 -0.27 0.00 0.00 62.75 61.35 2roq n ILE 84 Cb 1.14 -0.48 -0.09 0.00 -1.74 0.00 0.00 39.64 38.47 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 -2.75 1.86 0.00 7.28 -0.08 -0.84 -4.79 116.55 117.23 2roq n ASP 85 Ca -0.03 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2roq n ASP 85 Cb 0.65 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.50 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roq n ALA 86 N -3.82 0.00 0.00 -1.67 0.00 -1.04 -5.05 120.51 108.93 2roq n ALA 86 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2roq n ALA 86 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2roq n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2roq n GLU 87 N -1.50 0.00 0.00 0.00 2.13 0.74 -4.94 120.64 117.07 2roq n GLU 87 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2roq n GLU 87 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2roq n GLU 87 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2roq n GLU 88 N -0.01 0.00 -4.08 5.31 2.13 -1.24 -3.90 120.64 118.85 2roq n GLU 88 Ca 0.00 0.40 -0.34 0.00 0.66 0.00 0.00 57.16 57.89 2roq n GLU 88 Cb 0.00 -1.23 -0.00 0.00 0.27 0.00 0.00 31.44 30.47 2roq n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2roq n ASP 89 N -1.45 -4.09 -3.54 4.31 -0.08 -1.26 -4.81 116.55 105.63 2roq n ASP 89 Ca 0.00 -0.90 -0.11 0.00 -1.51 0.00 0.00 54.79 52.27 2roq n ASP 89 Cb 0.00 -3.30 -0.03 0.00 2.34 0.00 0.00 41.12 40.13 2roq n ASP 89 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2roq s SER 90 N -3.29 -0.42 -0.32 1.67 0.15 -1.26 -5.14 113.70 105.10 2roq s SER 90 Ca 0.72 -0.18 -0.01 0.00 0.70 0.00 0.00 55.95 57.18 2roq s SER 90 Cb -0.38 0.56 0.13 0.00 -1.71 0.00 0.00 66.02 64.63 2roq s SER 90 CO 0.88 -0.96 0.24 -0.89 1.20 0.00 0.00 173.24 173.71 2roq s THR 91 N -3.79 -0.13 -0.21 6.45 2.01 -1.26 -5.11 115.64 113.59 2roq s THR 91 Ca 0.03 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 2roq s THR 91 Cb -0.00 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.56 2roq s THR 91 CO -0.11 -0.72 -0.11 -0.13 -0.69 0.00 0.00 174.62 172.87 2roq s ARG 92 N 1.74 3.09 -0.72 4.92 3.00 -1.26 -5.04 118.95 124.67 2roq s ARG 92 Ca 0.13 -0.79 -0.28 0.00 0.00 0.00 0.00 55.73 54.78 2roq s ARG 92 Cb -0.17 -2.84 -0.14 0.00 0.00 0.00 0.00 34.95 31.79 2roq s ARG 92 CO -0.19 -0.26 2.55 0.54 0.00 0.00 0.00 175.30 177.94 2roq n ARG 93 N 4.70 0.57 -0.39 3.54 1.74 -1.26 -4.66 116.66 120.88 2roq n ARG 93 Ca -0.19 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.60 2roq n ARG 93 Cb 0.49 -2.56 0.26 0.00 -1.02 0.00 0.00 32.46 29.63 2roq n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2roq n MET 94 N 8.78 -3.45 0.34 5.56 0.00 -1.26 -4.74 117.12 122.35 2roq n MET 94 Ca 0.50 -1.01 0.22 0.00 0.00 0.00 0.00 57.70 57.42 2roq n MET 94 Cb 0.31 -1.93 1.17 0.00 0.00 0.00 0.00 33.22 32.77 2roq n MET 94 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2roq h GLY 95 N -3.06 0.00 2.00 3.17 0.00 -1.90 -0.49 103.07 102.80 2roq h GLY 95 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2roq h GLY 95 CO 0.34 0.00 0.00 -2.75 0.00 0.00 0.00 176.54 174.13 2roq h PHE 96 N 0.00 0.00 -1.51 5.60 3.57 -1.92 -3.41 116.94 119.28 2roq h PHE 96 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2roq h PHE 96 Cb 0.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2roq h PHE 96 CO 0.00 0.00 0.00 -1.91 -2.23 0.00 0.00 178.31 174.17 2roq n GLU 97 N -2.37 -0.96 0.14 1.11 4.07 -0.19 -4.80 120.64 117.63 2roq n GLU 97 Ca 0.00 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.87 2roq n GLU 97 Cb 0.14 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.37 2roq n GLU 97 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2roq h THR 98 N -1.48 1.31 -2.92 6.31 1.35 -1.86 -3.42 112.91 112.19 2roq h THR 98 Ca 0.00 -2.77 -0.48 0.00 -0.55 0.00 0.00 66.41 62.62 2roq h THR 98 Cb 0.00 3.02 -0.15 0.00 -1.73 0.00 0.00 68.15 69.29 2roq h THR 98 CO 0.00 0.83 -0.75 -0.63 -0.25 0.00 0.00 175.52 174.72 2roq s ILE 99 N -2.61 1.81 -0.27 6.82 -1.09 -1.26 -3.70 121.20 120.91 2roq s ILE 99 Ca -0.08 -2.15 -0.02 0.00 -2.23 0.00 0.00 60.65 56.16 2roq s ILE 99 Cb 0.05 -2.01 0.09 0.00 -1.58 0.00 0.00 42.46 39.00 2roq s ILE 99 CO 0.93 -0.51 0.08 -0.22 -1.23 0.00 0.00 174.94 173.99 2roq s LEU 100 N -3.17 1.60 -0.53 2.97 0.20 -1.24 -4.85 118.68 113.66 2roq s LEU 100 Ca 0.21 -1.32 -0.27 0.00 0.69 0.00 0.00 54.13 53.44 2roq s LEU 100 Cb -0.02 -0.69 -0.02 0.00 -0.43 0.00 0.00 46.19 45.03 2roq s LEU 100 CO 0.07 -0.39 1.81 -2.16 -0.29 0.00 0.00 176.35 175.40 2roq s PRO 101 N 1.78 2.86 0.02 0.98 0.04 -1.26 -3.92 135.00 135.50 2roq s PRO 101 Ca 0.06 0.82 0.10 0.00 0.04 0.00 0.00 61.00 62.02 2roq s PRO 101 Cb -0.17 -4.32 -0.22 0.00 0.04 0.00 0.00 34.50 29.83 2roq s PRO 101 CO -0.22 -2.45 0.92 -0.07 0.04 0.00 0.00 177.00 175.22 2roq h LEU 102 N 15.49 0.01 -6.34 -3.56 3.38 -1.91 -3.46 115.31 118.93 2roq h LEU 102 Ca -0.28 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.76 2roq h LEU 102 Cb 1.16 -0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.70 2roq h LEU 102 CO 1.17 1.02 -0.22 -0.60 0.09 0.00 0.00 178.44 179.89 2roq s ARG 103 N -2.64 0.57 -0.25 1.13 3.52 -0.42 -4.92 118.95 115.95 2roq s ARG 103 Ca -0.03 1.16 -0.03 0.00 -0.13 0.00 0.00 55.73 56.70 2roq s ARG 103 Cb 0.09 0.67 0.10 0.00 -1.56 0.00 0.00 34.95 34.24 2roq s ARG 103 CO 0.82 -0.48 0.18 -2.00 -0.81 0.00 0.00 175.30 173.02 2roq s GLU 104 N 2.87 0.19 0.00 5.12 2.12 -1.26 0.02 118.70 127.77 2roq s GLU 104 Ca 0.12 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.26 2roq s GLU 104 Cb -0.14 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.06 2roq s GLU 104 CO -0.20 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.05 2roq n GLY 105 N 5.28 0.10 0.62 -1.50 0.00 -1.26 -5.08 105.19 103.35 2roq n GLY 105 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2roq n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2roq n ASN 106 N 0.00 0.00 0.00 1.61 4.13 -1.26 -5.03 115.26 114.71 2roq n ASN 106 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2roq n ASN 106 Cb 0.00 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2roq n GLY 107 N 3.66 -1.97 3.58 7.41 0.00 -1.26 -4.96 105.19 111.64 2roq n GLY 107 Ca 0.00 0.76 -0.41 0.00 0.00 0.00 0.00 46.02 46.37 2roq n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 108 N 0.22 3.08 0.21 1.61 0.04 -1.26 -4.72 135.00 134.18 2roq s PRO 108 Ca 0.00 1.02 -0.26 0.00 0.04 0.00 0.00 61.00 61.80 2roq s PRO 108 Cb 0.00 -4.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.20 2roq s PRO 108 CO 0.00 -2.18 0.84 0.95 0.04 0.00 0.00 177.00 176.65 2roq s THR 109 N 7.58 4.29 -0.20 1.26 -4.23 -1.26 -2.65 115.64 120.44 2roq s THR 109 Ca 0.72 1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 62.99 2roq s THR 109 Cb -0.17 -4.14 0.05 0.00 1.34 0.00 0.00 72.50 69.59 2roq s THR 109 CO 0.28 0.43 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.55 2roq s LEU 110 N -1.39 1.72 -0.55 4.79 2.96 0.36 -4.60 118.68 121.98 2roq s LEU 110 Ca 0.40 -0.88 -0.27 0.00 -0.22 0.00 0.00 54.13 53.16 2roq s LEU 110 Cb -0.22 -0.86 0.03 0.00 0.50 0.00 0.00 46.19 45.64 2roq s LEU 110 CO 0.27 -0.25 1.10 -0.36 -1.32 0.00 0.00 176.35 175.79 2roq s PHE 111 N 1.66 2.71 -0.37 5.38 0.08 -1.09 -3.24 117.98 123.10 2roq s PHE 111 Ca -0.02 0.36 -0.16 0.00 0.12 0.00 0.00 56.93 57.24 2roq s PHE 111 Cb -0.17 -4.35 0.00 0.00 -0.57 0.00 0.00 43.02 37.93 2roq s PHE 111 CO -0.07 -1.43 0.37 0.00 -0.10 0.00 0.00 175.22 173.98 2roq s PHE 113 N 1.99 1.78 -0.54 0.00 5.36 -1.22 -3.28 117.98 122.07 2roq s PHE 113 Ca 0.10 -0.92 -0.02 0.00 -0.96 0.00 0.00 56.93 55.14 2roq s PHE 113 Cb -0.17 -1.09 -0.02 0.00 -0.34 0.00 0.00 43.02 41.40 2roq s PHE 113 CO 0.12 0.01 0.47 0.72 -1.46 0.00 0.00 175.22 175.08 2roq n HIS 114 N -0.55 -1.18 0.17 10.12 8.25 -1.26 -3.99 115.22 126.78 2roq n HIS 114 Ca -0.04 0.44 0.01 0.00 -0.26 0.00 0.00 57.72 57.87 2roq n HIS 114 Cb 0.65 -3.38 0.28 0.00 1.12 0.00 0.00 29.99 28.67 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 -0.66 0.00 -2.53 -0.41 0.13 -1.90 -2.99 132.00 123.64 2roq h PRO 115 Ca -0.30 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.53 2roq h PRO 115 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 2roq h PRO 115 CO 0.23 0.47 -0.34 0.00 -0.23 0.00 0.00 178.00 178.13 2roq n ALA 116 N -2.44 -0.50 -2.55 -0.56 0.00 -1.26 -4.90 120.51 108.29 2roq n ALA 116 Ca -0.01 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 2roq n ALA 116 Cb 0.50 -1.66 -0.08 0.00 0.00 0.00 0.00 19.45 18.21 2roq n ALA 116 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2roq s SER 117 N -2.15 0.07 0.07 0.00 1.04 -1.26 -4.96 113.70 106.51 2roq s SER 117 Ca 0.00 -1.19 -0.24 0.00 0.48 0.00 0.00 55.95 55.00 2roq s SER 117 Cb 0.00 0.45 -0.10 0.00 0.10 0.00 0.00 66.02 66.46 2roq s SER 117 CO 0.00 -0.93 1.38 1.23 0.98 0.00 0.00 173.24 175.90 2roq h GLY 118 N 2.51 -1.17 -1.91 7.32 0.00 -1.93 -3.44 103.07 104.45 2roq h GLY 118 Ca -0.32 0.60 -0.61 0.00 0.00 0.00 0.00 47.33 46.99 2roq h GLY 118 CO 0.47 -0.33 -0.63 -1.36 0.00 0.00 0.00 176.54 174.69 2roq s PHE 119 N -4.91 2.48 -0.40 5.60 0.08 -1.26 -4.67 117.98 114.89 2roq s PHE 119 Ca -0.11 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.47 2roq s PHE 119 Cb 0.04 -1.55 0.43 0.00 -0.57 0.00 0.00 43.02 41.37 2roq s PHE 119 CO 0.42 0.50 1.11 0.00 -0.10 0.00 0.00 175.22 177.15 2roq n ALA 120 N -0.91 4.92 0.05 5.36 0.00 -1.26 -4.68 120.51 123.98 2roq n ALA 120 Ca -0.05 -4.14 0.04 0.00 0.00 0.00 0.00 53.44 49.30 2roq n ALA 120 Cb 0.64 -0.54 0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.49 0.20 -1.03 0.00 8.01 -1.26 -4.49 117.44 118.38 2roq n TRP 121 Ca 0.37 -0.31 0.05 0.00 -1.31 0.00 0.00 57.50 56.30 2roq n TRP 121 Cb 0.72 -0.02 0.30 0.00 -2.01 0.00 0.00 31.31 30.30 2roq n TRP 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2roq n GLN 122 N 0.30 3.40 -0.00 -0.99 10.64 -1.26 -4.32 117.38 125.15 2roq n GLN 122 Ca 0.07 -2.99 0.08 0.00 -1.83 0.00 0.00 57.00 52.33 2roq n GLN 122 Cb 0.31 -2.00 -0.10 0.00 -0.86 0.00 0.00 30.24 27.59 2roq n GLN 122 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2roq n PHE 123 N -0.26 0.00 0.14 2.61 -1.74 -1.26 -4.38 117.46 112.57 2roq n PHE 123 Ca 0.27 0.00 0.19 0.00 -0.56 0.00 0.00 57.45 57.35 2roq n PHE 123 Cb 1.05 -0.02 0.78 0.00 1.52 0.00 0.00 39.48 42.81 2roq n PHE 123 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2roq h SER 124 N 0.00 0.00 -0.81 5.98 0.87 -1.81 -0.69 113.55 117.09 2roq h SER 124 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2roq h SER 124 Cb 0.44 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 2roq h SER 124 CO 0.00 0.00 0.49 1.62 -0.53 0.00 0.00 176.83 178.41 2roq h VAL 125 N 0.00 1.01 0.12 2.23 3.04 -1.88 0.29 116.25 121.06 2roq h VAL 125 Ca 0.15 -0.30 -0.17 0.00 -1.01 0.00 0.00 66.70 65.36 2roq h VAL 125 Cb 0.83 0.05 0.02 0.00 -2.01 0.00 0.00 31.29 30.18 2roq h VAL 125 CO -0.00 0.16 -0.79 0.25 -1.01 0.00 0.00 177.57 176.18 2roq h LEU 126 N 0.88 0.40 -2.49 3.16 6.46 -1.46 -2.16 115.31 120.10 2roq h LEU 126 Ca 0.36 -0.94 -0.00 0.00 -0.12 0.00 0.00 57.88 57.17 2roq h LEU 126 Cb 0.20 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2roq h LEU 126 CO -0.18 1.37 -0.02 0.77 -0.62 0.00 0.00 178.44 179.76 2roq h SER 127 N -0.45 0.00 0.47 1.25 4.64 -1.28 0.13 113.55 118.32 2roq h SER 127 Ca -0.15 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.02 2roq h SER 127 Cb 1.57 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.64 2roq h SER 127 CO 0.12 0.02 -1.66 -1.14 -0.87 0.00 0.00 176.83 173.30 2roq n ARG 128 N -3.56 0.64 0.10 4.77 0.63 0.10 -2.56 116.66 116.78 2roq n ARG 128 Ca -0.03 0.08 0.02 0.00 -0.92 0.00 0.00 57.85 57.01 2roq n ARG 128 Cb 0.11 -1.70 -0.01 0.00 0.45 0.00 0.00 32.46 31.31 2roq n ARG 128 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2roq h TYR 129 N 0.00 0.00 0.07 -0.14 -1.99 -0.55 -3.36 116.97 111.00 2roq h TYR 129 Ca -0.18 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.18 2roq h TYR 129 Cb 1.52 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.21 2roq h TYR 129 CO 0.00 0.52 -2.12 1.47 -0.00 0.00 0.00 178.16 178.03 2roq n LEU 130 N -3.10 2.67 -4.29 3.88 -0.00 0.36 -4.71 117.00 111.81 2roq n LEU 130 Ca -0.02 0.12 -0.16 0.00 -0.00 0.00 0.00 56.01 55.95 2roq n LEU 130 Cb 0.77 -1.04 -0.10 0.00 -0.00 0.00 0.00 43.42 43.05 2roq n LEU 130 CO 0.41 0.83 -0.40 -1.81 -0.00 0.00 0.00 177.39 176.43 2roq s ASP 131 N -6.89 1.96 0.06 1.45 1.11 -1.06 -4.98 116.67 108.32 2roq s ASP 131 Ca -0.27 -1.06 -0.18 0.00 0.18 0.00 0.00 52.55 51.21 2roq s ASP 131 Cb 0.08 -0.03 -0.12 0.00 1.07 0.00 0.00 42.92 43.91 2roq s ASP 131 CO 0.69 -0.34 1.37 1.55 1.18 0.00 0.00 175.17 179.62 2roq h PRO 132 N 2.66 0.47 0.00 8.23 0.13 -1.80 -3.33 132.00 138.36 2roq h PRO 132 Ca -0.37 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2roq h PRO 132 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2roq h PRO 132 CO 0.64 0.82 0.00 0.00 -0.23 0.00 0.00 178.00 179.23 2roq n GLN 133 N -4.46 0.00 -0.08 0.86 10.64 -1.26 -4.90 117.38 118.18 2roq n GLN 133 Ca -0.05 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.02 2roq n GLN 133 Cb 0.40 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 29.87 2roq n GLN 133 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.06 172.56 2roq n TRP 134 N 0.00 -2.48 -2.84 2.61 4.27 -1.26 -4.74 117.44 113.00 2roq n TRP 134 Ca 0.00 -0.24 -0.41 0.00 -3.89 0.00 0.00 57.50 52.95 2roq n TRP 134 Cb 0.00 -0.42 -0.04 0.00 -1.36 0.00 0.00 31.31 29.50 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 -2.29 7.15 -0.13 -0.67 0.15 -1.08 -4.71 113.70 112.12 2roq s SER 135 Ca 0.21 1.39 -0.08 0.00 0.70 0.00 0.00 55.95 58.18 2roq s SER 135 Cb -0.04 -2.50 0.05 0.00 -1.71 0.00 0.00 66.02 61.83 2roq s SER 135 CO 0.18 -0.29 0.32 0.27 1.20 0.00 0.00 173.24 174.92 2roq s ILE 136 N 1.40 -0.03 -0.16 6.45 -4.36 0.10 -0.49 121.20 124.11 2roq s ILE 136 Ca 0.44 0.11 -0.04 0.00 -0.26 0.00 0.00 60.65 60.90 2roq s ILE 136 Cb -0.19 -0.48 0.08 0.00 1.25 0.00 0.00 42.46 43.12 2roq s ILE 136 CO 0.20 0.04 0.20 0.27 0.24 0.00 0.00 174.94 175.89 2roq s ILE 137 N 1.19 -0.30 -0.20 8.37 -4.36 -1.20 -1.30 121.20 123.40 2roq s ILE 137 Ca -0.08 0.03 -0.09 0.00 -0.26 0.00 0.00 60.65 60.25 2roq s ILE 137 Cb -0.09 -0.55 -0.05 0.00 1.25 0.00 0.00 42.46 43.03 2roq s ILE 137 CO -0.09 -0.09 0.11 -0.83 0.24 0.00 0.00 174.94 174.27 2roq s GLY 138 N 2.31 1.98 -0.68 6.27 0.00 -1.25 -3.34 107.32 112.61 2roq s GLY 138 Ca 0.05 -0.74 -0.27 0.00 0.00 0.00 0.00 44.72 43.76 2roq s GLY 138 CO -0.10 0.15 1.23 -0.42 0.00 0.00 0.00 173.10 173.96 2roq s ILE 139 N 0.47 3.85 0.07 0.90 1.09 -1.21 -3.70 121.20 122.68 2roq s ILE 139 Ca 0.06 0.52 -0.17 0.00 -1.10 0.00 0.00 60.65 59.96 2roq s ILE 139 Cb -0.12 -4.84 0.04 0.00 -1.06 0.00 0.00 42.46 36.47 2roq s ILE 139 CO -0.00 -1.67 0.41 -1.58 -0.10 0.00 0.00 174.94 172.00 2roq s GLN 140 N 5.38 0.96 0.04 2.79 -0.44 -1.24 -4.81 119.66 122.34 2roq s GLN 140 Ca 0.37 -0.48 -0.27 0.00 -2.50 0.00 0.00 55.36 52.48 2roq s GLN 140 Cb -0.08 0.43 0.09 0.00 -1.64 0.00 0.00 33.01 31.81 2roq s GLN 140 CO 0.18 -0.34 0.81 -1.54 0.50 0.00 0.00 175.29 174.90 2roq s SER 141 N -2.26 -0.42 0.77 6.67 1.04 -1.26 -4.54 113.70 113.70 2roq s SER 141 Ca -0.03 0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 2roq s SER 141 Cb 0.00 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.62 2roq s SER 141 CO -0.05 -0.71 1.09 -2.16 0.98 0.00 0.00 173.24 172.39 2roq s PRO 142 N -3.26 2.28 -0.34 4.02 0.04 -1.26 -4.95 135.00 131.53 2roq s PRO 142 Ca 0.04 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 2roq s PRO 142 Cb -0.01 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.75 2roq s PRO 142 CO -0.10 -1.63 0.16 1.03 0.04 0.00 0.00 177.00 176.50 2roq s ARG 143 N -4.87 0.66 0.29 4.56 3.00 -1.26 -4.99 118.95 116.35 2roq s ARG 143 Ca 0.61 -1.17 0.08 0.00 0.00 0.00 0.00 55.73 55.25 2roq s ARG 143 Cb -0.17 -1.71 0.44 0.00 0.00 0.00 0.00 34.95 33.51 2roq s ARG 143 CO 0.55 -1.07 1.68 -1.00 0.00 0.00 0.00 175.30 175.46 2roq h PRO 144 N 7.68 0.16 0.00 3.54 0.13 -1.97 -3.42 132.00 138.13 2roq h PRO 144 Ca -0.09 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 2roq h PRO 144 Cb 0.99 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 2roq h PRO 144 CO 0.42 0.60 0.10 0.27 -0.23 0.00 0.00 178.00 179.17 2roq n ASN 145 N -3.97 -0.41 -4.44 1.44 6.94 -1.26 -4.97 115.26 108.58 2roq n ASN 145 Ca -0.02 -1.21 -0.50 0.00 -0.02 0.00 0.00 54.58 52.83 2roq n ASN 145 Cb 0.51 0.39 -0.07 0.00 -2.36 0.00 0.00 39.78 38.25 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 -0.21 0.41 0.19 4.83 0.00 -1.26 -4.81 105.19 104.33 2roq n GLY 146 Ca -0.12 0.93 -0.03 0.00 0.00 0.00 0.00 46.02 46.80 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 12.67 0.22 0.00 1.61 0.13 -2.01 -2.95 132.00 141.67 2roq h PRO 147 Ca -0.25 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2roq h PRO 147 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2roq h PRO 147 CO 1.05 0.65 -0.70 -1.33 -0.23 0.00 0.00 178.00 177.43 2roq n MET 148 N -3.98 0.00 0.02 0.86 2.81 -1.26 -3.97 117.12 111.60 2roq n MET 148 Ca -0.02 -0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.95 2roq n MET 148 Cb 0.52 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.85 2roq n MET 148 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2roq n GLN 149 N -1.50 0.03 0.40 0.03 3.00 -1.11 0.10 117.38 118.32 2roq n GLN 149 Ca 0.05 0.28 -0.16 0.00 -0.01 0.00 0.00 57.00 57.16 2roq n GLN 149 Cb 0.33 -1.55 -0.08 0.00 0.00 0.00 0.00 30.24 28.95 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2roq h THR 150 N 0.00 0.00 0.00 5.09 1.35 -1.69 -3.36 112.91 114.30 2roq h THR 150 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2roq h THR 150 Cb 0.26 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 2roq h THR 150 CO 0.00 0.00 -0.63 0.00 -0.25 0.00 0.00 175.52 174.64 2roq n ALA 151 N -2.68 1.52 1.38 6.62 0.00 -1.22 -4.65 120.51 121.48 2roq n ALA 151 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.36 2roq n ALA 151 Cb 0.41 0.11 0.18 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.30 2.49 -0.27 0.00 0.00 0.66 -4.01 120.51 118.07 2roq n ALA 152 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.01 2roq n ALA 152 Cb 0.22 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.70 2roq n ALA 152 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2roq h ASN 153 N 1.26 1.01 -0.79 0.00 7.08 -0.49 -2.06 115.58 121.58 2roq h ASN 153 Ca 0.00 -0.16 0.08 0.00 -3.08 0.00 0.00 56.30 53.14 2roq h ASN 153 Cb 0.28 -0.26 -0.05 0.00 -2.08 0.00 0.00 38.32 36.21 2roq h ASN 153 CO 0.00 0.89 0.51 -0.07 -2.08 0.00 0.00 177.43 176.68 2roq h LEU 154 N 1.06 0.70 -0.04 6.14 3.38 -1.87 0.27 115.31 124.96 2roq h LEU 154 Ca 0.25 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2roq h LEU 154 Cb 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2roq h LEU 154 CO -0.02 0.44 -0.12 -0.78 0.09 0.00 0.00 178.44 178.05 2roq h ASP 155 N 0.79 0.17 0.47 -0.43 1.82 -1.73 -2.14 116.42 115.38 2roq h ASP 155 Ca 0.35 -0.61 -0.02 0.00 -0.39 0.00 0.00 57.03 56.36 2roq h ASP 155 Cb 0.33 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.29 2roq h ASP 155 CO -0.13 0.75 -0.22 -0.33 -1.61 0.00 0.00 179.24 177.70 2roq h GLU 156 N -0.39 -0.60 -0.77 0.28 5.08 -0.90 -2.08 114.58 115.19 2roq h GLU 156 Ca -0.00 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 2roq h GLU 156 Cb 0.73 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 2roq h GLU 156 CO 0.02 -0.35 0.51 -0.39 -1.00 0.00 0.00 179.01 177.80 2roq h VAL 157 N -0.74 0.91 0.44 3.13 -1.51 -0.59 -2.01 116.25 115.88 2roq h VAL 157 Ca -0.06 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 2roq h VAL 157 Cb 0.53 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 2roq h VAL 157 CO 0.11 0.12 -0.21 0.00 -1.23 0.00 0.00 177.57 176.35 2roq h GLU 159 N -0.71 0.36 0.45 0.00 4.39 -0.89 -1.42 114.58 116.76 2roq h GLU 159 Ca -0.06 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2roq h GLU 159 Cb 0.51 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2roq h GLU 159 CO 0.10 0.24 -0.50 0.00 -1.16 0.00 0.00 179.01 177.69 2roq h ALA 160 N 1.41 -1.13 0.05 3.43 0.00 -1.29 0.30 119.26 122.03 2roq h ALA 160 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2roq h ALA 160 Cb 0.36 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2roq h ALA 160 CO -0.31 -1.17 -0.21 1.25 0.00 0.00 0.00 179.25 178.81 2roq h HIS 161 N -0.96 -0.61 -0.64 0.00 -0.00 -1.08 -2.04 115.15 109.82 2roq h HIS 161 Ca -0.06 0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.46 2roq h HIS 161 Cb 0.84 0.26 -0.12 0.00 -0.00 0.00 0.00 27.41 28.39 2roq h HIS 161 CO -0.27 -0.24 -0.20 1.25 -0.00 0.00 0.00 177.93 178.47 2roq h LEU 162 N -0.30 -0.71 -0.88 0.26 5.85 -1.26 0.13 115.31 118.39 2roq h LEU 162 Ca -0.00 0.20 0.24 0.00 0.84 0.00 0.00 57.88 59.16 2roq h LEU 162 Cb 0.30 0.44 -0.14 0.00 0.37 0.00 0.00 40.66 41.63 2roq h LEU 162 CO -0.11 -0.24 0.25 0.00 -0.34 0.00 0.00 178.44 178.00 2roq h ALA 163 N 1.52 1.30 -0.43 1.25 0.00 -0.01 0.38 119.26 123.27 2roq h ALA 163 Ca 0.30 0.22 -0.14 0.00 0.00 0.00 0.00 54.91 55.29 2roq h ALA 163 Cb 0.50 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2roq h ALA 163 CO -0.67 -0.47 -0.27 1.15 0.00 0.00 0.00 179.25 178.99 2roq h THR 164 N 0.21 1.27 0.63 0.00 2.02 -0.06 -1.49 112.91 115.50 2roq h THR 164 Ca 0.56 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 2roq h THR 164 Cb 1.13 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2roq h THR 164 CO -0.65 0.49 -0.30 -0.07 0.37 0.00 0.00 175.52 175.35 2roq h LEU 165 N 0.79 -0.72 -1.90 2.58 4.07 0.43 -2.07 115.31 118.49 2roq h LEU 165 Ca 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2roq h LEU 165 Cb 0.84 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.76 2roq h LEU 165 CO 0.07 -0.36 0.00 -0.07 -1.08 0.00 0.00 178.44 177.01 2roq h LEU 166 N -1.11 0.00 0.10 1.67 -0.00 -0.65 -0.28 115.31 115.03 2roq h LEU 166 Ca -0.09 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.53 2roq h LEU 166 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2roq h LEU 166 CO 0.14 0.00 -1.21 -0.08 -0.00 0.00 0.00 178.44 177.29 2roq h GLU 167 N 0.00 0.27 0.00 1.13 4.57 -1.01 -3.32 114.58 116.22 2roq h GLU 167 Ca 0.00 -0.45 -0.22 0.00 -1.18 0.00 0.00 59.36 57.52 2roq h GLU 167 Cb 0.09 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 2roq h GLU 167 CO 0.00 1.21 -1.29 0.37 -1.18 0.00 0.00 179.01 178.11 2roq h GLN 168 N 0.08 0.00 -1.54 1.92 4.15 -0.54 -3.48 115.11 115.70 2roq h GLN 168 Ca -0.13 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.38 2roq h GLN 168 Cb 1.94 0.00 -0.24 0.00 0.21 0.00 0.00 27.48 29.38 2roq h GLN 168 CO 0.20 0.58 0.54 -0.65 -1.93 0.00 0.00 178.83 177.57 2roq s GLN 169 N -2.75 0.53 0.01 1.69 -0.21 -0.23 -5.07 119.66 113.64 2roq s GLN 169 Ca -0.02 0.27 -0.23 0.00 0.02 0.00 0.00 55.36 55.41 2roq s GLN 169 Cb 0.09 0.25 -0.17 0.00 1.00 0.00 0.00 33.01 34.18 2roq s GLN 169 CO 0.81 -0.14 1.31 -1.00 -2.12 0.00 0.00 175.29 174.15 2roq h PRO 170 N 3.05 0.18 -3.30 2.91 0.13 -1.81 -3.27 132.00 129.89 2roq h PRO 170 Ca -0.21 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 2roq h PRO 170 Cb 1.17 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 2roq h PRO 170 CO 0.24 0.61 0.04 -3.38 -0.23 0.00 0.00 178.00 175.29 2roq s HIS 171 N -4.29 -0.11 0.00 1.56 -3.43 -1.26 -4.76 115.29 102.99 2roq s HIS 171 Ca -0.15 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 53.87 2roq s HIS 171 Cb 0.03 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 2roq s HIS 171 CO 0.71 -0.94 0.00 0.41 -2.00 0.00 0.00 174.74 172.93 2roq n GLY 172 N -0.35 1.68 3.61 -1.38 0.00 -1.26 -4.97 105.19 102.52 2roq n GLY 172 Ca -0.09 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.56 3.55 -0.03 1.61 0.04 -1.25 -4.35 135.00 133.01 2roq s PRO 173 Ca 0.00 1.44 0.05 0.00 0.04 0.00 0.00 61.00 62.53 2roq s PRO 173 Cb 0.00 -4.11 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 2roq s PRO 173 CO 0.00 -1.59 -0.17 0.71 0.04 0.00 0.00 177.00 176.00 2roq s TYR 174 N 5.99 1.57 -0.37 0.56 2.02 -1.26 -4.81 117.35 121.06 2roq s TYR 174 Ca 0.74 -0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.93 2roq s TYR 174 Cb -0.22 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 2roq s TYR 174 CO 0.32 -0.10 0.24 0.71 -1.57 0.00 0.00 175.55 175.16 2roq s TYR 175 N -0.15 3.23 0.25 2.71 1.51 -1.26 -3.06 117.35 120.57 2roq s TYR 175 Ca 0.01 -0.52 0.07 0.00 -1.01 0.00 0.00 57.07 55.62 2roq s TYR 175 Cb -0.09 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 2roq s TYR 175 CO 0.01 -0.50 0.20 -0.51 -1.11 0.00 0.00 175.55 173.63 2roq s LEU 176 N 1.66 3.82 0.12 -1.29 2.01 -1.06 -2.65 118.68 121.29 2roq s LEU 176 Ca 0.05 -0.24 0.05 0.00 0.01 0.00 0.00 54.13 54.00 2roq s LEU 176 Cb -0.18 -2.36 -0.04 0.00 0.01 0.00 0.00 46.19 43.62 2roq s LEU 176 CO 0.09 -0.03 -0.13 -0.22 1.01 0.00 0.00 176.35 177.07 2roq s LEU 177 N -3.82 2.42 -0.01 1.79 2.96 -1.19 -1.05 118.68 119.78 2roq s LEU 177 Ca 0.33 -0.84 -0.12 0.00 -0.22 0.00 0.00 54.13 53.28 2roq s LEU 177 Cb -0.08 -0.47 0.02 0.00 0.50 0.00 0.00 46.19 46.16 2roq s LEU 177 CO 0.25 -0.20 0.25 -0.83 -1.32 0.00 0.00 176.35 174.50 2roq s GLY 178 N -2.56 -0.08 -0.17 7.98 0.00 0.86 -3.39 107.32 109.96 2roq s GLY 178 Ca 0.09 0.17 -0.15 0.00 0.00 0.00 0.00 44.72 44.83 2roq s GLY 178 CO 0.02 -0.01 0.44 -0.47 0.00 0.00 0.00 173.10 173.07 2roq s TYR 179 N -1.34 -0.49 0.00 1.90 5.04 -1.13 -2.69 117.35 118.64 2roq s TYR 179 Ca -0.14 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 2roq s TYR 179 Cb -0.06 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.43 2roq s TYR 179 CO 0.03 -0.24 0.00 0.43 -1.34 0.00 0.00 175.55 174.43 2roq n SER 180 N 2.97 0.00 -0.29 4.32 7.64 -1.19 -1.90 113.62 125.16 2roq n SER 180 Ca -0.14 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.85 2roq n SER 180 Cb 0.57 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.81 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 1.51 -0.26 -3.43 7.94 -1.26 -4.35 117.00 117.15 2roq n LEU 181 Ca 0.00 -0.56 0.28 0.00 -1.11 0.00 0.00 56.01 54.62 2roq n LEU 181 Cb 0.00 -0.04 0.66 0.00 0.53 0.00 0.00 43.42 44.57 2roq n LEU 181 CO 0.00 0.30 1.27 1.23 -1.11 0.00 0.00 177.39 179.08 2roq h GLY 182 N 4.91 0.37 0.30 -3.96 0.00 -1.59 -2.02 103.07 101.08 2roq h GLY 182 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2roq h GLY 182 CO 0.00 -0.03 -0.39 -1.33 0.00 0.00 0.00 176.54 174.79 2roq h GLY 183 N 0.13 -1.14 0.80 4.60 0.00 -1.86 0.44 103.07 106.04 2roq h GLY 183 Ca 0.51 0.55 -0.01 0.00 0.00 0.00 0.00 47.33 48.37 2roq h GLY 183 CO -0.09 -0.34 -0.07 -0.91 0.00 0.00 0.00 176.54 175.13 2roq h THR 184 N -0.71 0.96 0.10 4.70 1.35 -1.75 -2.14 112.91 115.43 2roq h THR 184 Ca -0.04 -0.43 0.02 0.00 -0.55 0.00 0.00 66.41 65.41 2roq h THR 184 Cb 0.63 1.23 -0.05 0.00 -1.73 0.00 0.00 68.15 68.23 2roq h THR 184 CO -0.09 0.10 -0.49 -0.07 -0.25 0.00 0.00 175.52 174.72 2roq h LEU 185 N -0.39 -1.47 -0.96 3.87 3.38 -1.37 -1.34 115.31 117.03 2roq h LEU 185 Ca -0.02 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.30 2roq h LEU 185 Cb 0.31 0.55 -0.11 0.00 0.09 0.00 0.00 40.66 41.50 2roq h LEU 185 CO 0.03 -0.53 0.55 0.00 0.09 0.00 0.00 178.44 178.58 2roq h ALA 186 N -0.37 1.56 0.43 1.53 0.00 -0.15 -1.27 119.26 120.99 2roq h ALA 186 Ca 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2roq h ALA 186 Cb 0.73 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2roq h ALA 186 CO -0.29 -0.10 -0.48 1.96 0.00 0.00 0.00 179.25 180.35 2roq h GLN 187 N 0.69 -0.90 0.78 0.00 7.50 -0.56 0.33 115.11 122.95 2roq h GLN 187 Ca 0.55 0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.73 2roq h GLN 187 Cb 0.87 0.20 -0.00 0.00 0.05 0.00 0.00 27.48 28.61 2roq h GLN 187 CO -0.40 -0.60 -0.47 0.78 -1.50 0.00 0.00 178.83 176.64 2roq h GLY 188 N -0.93 -1.31 0.19 3.46 0.00 -0.70 -2.06 103.07 101.72 2roq h GLY 188 Ca -0.05 0.53 0.22 0.00 0.00 0.00 0.00 47.33 48.04 2roq h GLY 188 CO -0.09 -0.45 0.62 1.19 0.00 0.00 0.00 176.54 177.82 2roq h ILE 189 N -1.17 0.63 0.40 2.60 2.10 -1.26 -1.32 117.51 119.49 2roq h ILE 189 Ca -0.11 -0.12 -0.02 0.00 1.08 0.00 0.00 64.86 65.69 2roq h ILE 189 Cb 0.93 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 2roq h ILE 189 CO 0.11 0.07 -0.19 0.00 -1.08 0.00 0.00 178.15 177.06 2roq h ALA 190 N 1.60 -0.54 -0.78 0.18 0.00 0.06 -2.08 119.26 117.71 2roq h ALA 190 Ca 0.49 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.35 2roq h ALA 190 Cb 1.31 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 2roq h ALA 190 CO -0.18 -0.76 0.51 0.00 0.00 0.00 0.00 179.25 178.82 2roq h ALA 191 N -0.06 1.75 -0.26 0.00 0.00 -0.57 -0.40 119.26 119.72 2roq h ALA 191 Ca -0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2roq h ALA 191 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2roq h ALA 191 CO 0.09 0.09 -0.12 -0.09 0.00 0.00 0.00 179.25 179.22 2roq h ARG 192 N 0.73 0.44 0.35 0.00 9.65 -1.14 -2.13 114.38 122.29 2roq h ARG 192 Ca 0.35 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 59.09 2roq h ARG 192 Cb 0.41 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2roq h ARG 192 CO -0.13 0.57 -0.17 -0.07 2.80 0.00 0.00 179.97 182.97 2roq h LEU 193 N 0.41 -0.40 -1.99 3.80 3.38 -0.40 0.37 115.31 120.49 2roq h LEU 193 Ca 0.08 -0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.12 2roq h LEU 193 Cb 0.47 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2roq h LEU 193 CO 0.03 0.06 0.48 -0.09 0.09 0.00 0.00 178.44 179.01 2roq h ARG 194 N -1.05 0.00 0.00 1.13 2.43 -1.37 0.29 114.38 115.81 2roq h ARG 194 Ca -0.05 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 2roq h ARG 194 Cb 0.47 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2roq h ARG 194 CO 0.08 0.00 -1.45 0.00 -1.51 0.00 0.00 179.97 177.09 2roq n ALA 195 N -2.52 2.27 0.22 2.80 0.00 -0.80 -4.01 120.51 118.47 2roq n ALA 195 Ca 0.11 -0.49 0.09 0.00 0.00 0.00 0.00 53.44 53.15 2roq n ALA 195 Cb 0.71 -0.91 0.51 0.00 0.00 0.00 0.00 19.45 19.75 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 2.47 0.35 -3.46 114.38 113.74 2roq h ARG 196 Ca -0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2roq h ARG 196 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 2roq h ARG 196 CO 0.02 0.24 0.00 0.41 0.56 0.00 0.00 179.97 181.20 2roq n GLY 197 N -0.15 1.83 3.64 0.04 0.00 -0.90 -5.06 105.19 104.58 2roq n GLY 197 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.01 1.99 -0.08 1.61 4.04 -1.06 -4.86 118.70 120.33 2roq s GLU 198 Ca 0.00 -2.19 0.02 0.00 0.04 0.00 0.00 54.97 52.84 2roq s GLU 198 Cb 0.00 -1.40 0.01 0.00 0.02 0.00 0.00 34.13 32.77 2roq s GLU 198 CO 0.00 -0.22 -0.14 1.14 -1.84 0.00 0.00 175.26 174.20 2roq s GLN 199 N -3.79 1.98 -0.13 -4.83 0.00 -1.26 -4.06 119.66 107.57 2roq s GLN 199 Ca 0.24 -0.50 -0.22 0.00 -0.00 0.00 0.00 55.36 54.88 2roq s GLN 199 Cb 0.06 -1.64 -0.03 0.00 0.00 0.00 0.00 33.01 31.40 2roq s GLN 199 CO 0.12 0.01 0.68 0.14 0.00 0.00 0.00 175.29 176.24 2roq s VAL 200 N 0.75 5.03 -0.03 3.63 -7.23 -1.26 -3.91 120.40 117.37 2roq s VAL 200 Ca -0.12 1.34 -0.20 0.00 -1.81 0.00 0.00 61.98 61.19 2roq s VAL 200 Cb -0.16 -4.00 -0.13 0.00 0.56 0.00 0.00 36.38 32.65 2roq s VAL 200 CO 0.03 0.18 0.87 0.00 -0.31 0.00 0.00 175.10 175.86 2roq h ALA 201 N 7.07 -0.40 -0.87 1.32 0.00 -1.79 -3.45 119.26 121.14 2roq h ALA 201 Ca -0.36 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.56 2roq h ALA 201 Cb 1.17 0.16 -0.27 0.00 0.00 0.00 0.00 17.79 18.85 2roq h ALA 201 CO 0.77 -0.45 0.41 0.12 0.00 0.00 0.00 179.25 180.11 2roq s PHE 202 N -3.68 -0.41 -0.30 0.00 5.36 -1.21 -4.68 117.98 113.06 2roq s PHE 202 Ca -0.11 0.74 0.00 0.00 -0.96 0.00 0.00 56.93 56.60 2roq s PHE 202 Cb 0.01 0.25 0.07 0.00 -0.34 0.00 0.00 43.02 43.00 2roq s PHE 202 CO 0.40 -0.20 -0.01 -0.51 -1.46 0.00 0.00 175.22 173.44 2roq s LEU 203 N 1.94 4.00 -0.02 6.12 1.02 -1.22 -2.57 118.68 127.96 2roq s LEU 203 Ca -0.04 -1.51 -0.28 0.00 0.02 0.00 0.00 54.13 52.32 2roq s LEU 203 Cb -0.04 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 2roq s LEU 203 CO -0.16 -0.28 0.90 -0.83 0.02 0.00 0.00 176.35 176.01 2roq s GLY 204 N 1.21 2.83 -0.10 -3.19 0.00 -0.21 -3.51 107.32 104.35 2roq s GLY 204 Ca -0.03 0.43 -0.03 0.00 0.00 0.00 0.00 44.72 45.09 2roq s GLY 204 CO -0.04 1.55 0.06 1.08 0.00 0.00 0.00 173.10 175.76 2roq s LEU 205 N 0.95 0.30 0.12 0.66 1.43 -0.72 -0.10 118.68 121.32 2roq s LEU 205 Ca 0.48 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2roq s LEU 205 Cb -0.20 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.76 2roq s LEU 205 CO 0.25 -0.28 -0.18 -1.48 0.23 0.00 0.00 176.35 174.89 2roq s LEU 206 N 2.13 2.71 0.00 1.79 -0.00 -1.10 -3.48 118.68 120.73 2roq s LEU 206 Ca 0.04 -0.57 0.00 0.00 -0.00 0.00 0.00 54.13 53.59 2roq s LEU 206 Cb -0.14 -1.54 0.00 0.00 -0.00 0.00 0.00 46.19 44.51 2roq s LEU 206 CO -0.06 0.17 0.00 -0.90 -0.00 0.00 0.00 176.35 175.57 2roq n ASP 207 N 0.72 0.00 0.00 1.48 5.68 -1.21 -3.17 116.55 120.05 2roq n ASP 207 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 2roq n ASP 207 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 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 0.00 0.00 -2.67 2.12 5.66 -1.22 -4.13 114.28 114.03 2roq n THR 208 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 2roq n THR 208 Cb 0.00 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 68.83 2roq n THR 208 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 2roq n TRP 209 N 0.00 -0.85 -1.18 1.09 -0.00 -1.26 -4.88 117.44 110.36 2roq n TRP 209 Ca 0.00 -0.75 -0.29 0.00 -0.00 0.00 0.00 57.50 56.46 2roq n TRP 209 Cb 0.00 1.12 0.16 0.00 -0.00 0.00 0.00 31.31 32.60 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2roq s PRO 210 N 0.58 0.77 -0.79 5.87 0.04 -1.26 -4.82 135.00 135.38 2roq s PRO 210 Ca 0.25 0.65 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 2roq s PRO 210 Cb 0.16 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 2roq s PRO 210 CO -0.10 -2.53 1.92 -1.25 0.04 0.00 0.00 177.00 175.07 2roq s PRO 211 N -4.95 2.58 0.01 0.56 0.04 -1.26 -4.11 135.00 127.87 2roq s PRO 211 Ca 0.65 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2roq s PRO 211 Cb -0.18 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.54 2roq s PRO 211 CO 0.57 -3.15 0.00 -1.91 0.04 0.00 0.00 177.00 172.56 2roq n GLU 212 N 8.98 0.00 -1.40 4.56 4.07 -1.26 -4.12 120.64 131.47 2roq n GLU 212 Ca 0.33 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.42 2roq n GLU 212 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 2roq n GLU 212 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2roq n THR 213 N -2.00 0.00 -0.15 6.31 -1.04 -1.26 -5.06 114.28 111.08 2roq n THR 213 Ca 0.00 -0.07 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 2roq n THR 213 Cb 0.00 0.08 0.15 0.00 -1.82 0.00 0.00 70.33 68.74 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 -0.05 -3.06 -1.11 -2.82 6.02 -1.26 -4.76 117.38 110.34 2roq n GLN 214 Ca -0.01 -0.72 -0.06 0.00 -0.01 0.00 0.00 57.00 56.21 2roq n GLN 214 Cb 0.05 -0.99 0.03 0.00 1.02 0.00 0.00 30.24 30.35 2roq n GLN 214 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2roq n ASN 215 N -3.96 0.34 -0.00 1.08 0.23 -1.26 -4.98 115.26 106.71 2roq n ASN 215 Ca 0.07 -1.29 0.14 0.00 -0.53 0.00 0.00 54.58 52.97 2roq n ASN 215 Cb 0.30 -0.17 0.66 0.00 -2.08 0.00 0.00 39.78 38.49 2roq n ASN 215 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 2roq n TRP 216 N -1.77 0.00 0.27 -2.53 4.27 -1.26 -3.36 117.44 113.06 2roq n TRP 216 Ca 0.04 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.77 2roq n TRP 216 Cb 0.15 -0.42 0.57 0.00 -1.36 0.00 0.00 31.31 30.26 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 0.01 0.00 -0.38 -2.67 1.08 -1.93 -2.68 115.11 108.54 2roq h GLN 217 Ca 0.00 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2roq h GLN 217 Cb 0.43 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2roq h GLN 217 CO 0.00 0.00 0.41 1.49 -0.95 0.00 0.00 178.83 179.78 2roq h GLU 218 N 0.00 0.00 -1.52 1.46 4.81 -1.89 -3.31 114.58 114.14 2roq h GLU 218 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2roq h GLU 218 Cb 0.17 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 29.30 2roq h GLU 218 CO 0.00 0.00 -0.61 0.21 -0.73 0.00 0.00 179.01 177.88 2roq s LYS 219 N -4.61 0.83 0.29 1.92 2.20 -1.01 -5.00 119.74 114.36 2roq s LYS 219 Ca -0.04 -0.92 0.04 0.00 -0.36 0.00 0.00 55.97 54.68 2roq s LYS 219 Cb 0.15 -0.43 0.72 0.00 -1.51 0.00 0.00 37.83 36.76 2roq s LYS 219 CO 0.54 -1.25 1.72 1.05 -0.36 0.00 0.00 175.35 177.05 2roq h GLU 220 N 6.35 0.48 -0.42 4.03 -0.00 -1.73 0.34 114.58 123.61 2roq h GLU 220 Ca 0.08 -0.03 0.09 0.00 -0.00 0.00 0.00 59.36 59.50 2roq h GLU 220 Cb 1.08 -0.11 -0.08 0.00 -0.00 0.00 0.00 28.75 29.64 2roq h GLU 220 CO 0.15 0.32 -0.12 0.00 -0.00 0.00 0.00 179.01 179.35 2roq h ALA 221 N 1.68 0.26 -0.70 1.06 0.00 -1.94 0.30 119.26 119.91 2roq h ALA 221 Ca 0.56 0.16 -0.44 0.00 0.00 0.00 0.00 54.91 55.19 2roq h ALA 221 Cb 1.00 0.35 -0.25 0.00 0.00 0.00 0.00 17.79 18.89 2roq h ALA 221 CO -0.48 -0.46 0.15 -1.71 0.00 0.00 0.00 179.25 176.74 2roq n ASN 222 N -5.33 4.43 0.00 0.00 5.15 -0.20 -4.51 115.26 114.80 2roq n ASN 222 Ca 0.03 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.25 2roq n ASN 222 Cb 0.24 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2roq n GLY 223 N -1.00 0.00 3.55 8.20 0.00 0.10 -4.92 105.19 111.13 2roq n GLY 223 Ca 0.48 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 2roq n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2roq s LEU 224 N -2.17 3.26 0.39 0.99 1.43 0.98 -4.95 118.68 118.61 2roq s LEU 224 Ca 0.00 0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 53.39 2roq s LEU 224 Cb 0.00 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.59 2roq s LEU 224 CO 0.00 -2.87 0.87 -1.81 0.23 0.00 0.00 176.35 172.77 2roq s ASP 225 N 10.22 6.87 0.00 2.29 1.01 -1.26 -4.94 116.67 130.85 2roq s ASP 225 Ca 0.84 1.53 0.15 0.00 0.71 0.00 0.00 52.55 55.78 2roq s ASP 225 Cb -0.14 -2.48 0.77 0.00 1.01 0.00 0.00 42.92 42.09 2roq s ASP 225 CO 0.18 -0.30 1.40 -0.81 0.21 0.00 0.00 175.17 175.85 2roq n PRO 226 N -0.54 0.24 -0.11 8.23 -0.04 -1.26 -2.96 135.00 138.56 2roq n PRO 226 Ca 0.06 0.13 -0.17 0.00 -0.04 0.00 0.00 63.50 63.47 2roq n PRO 226 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2roq n PRO 226 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 227 N -1.25 0.54 -0.17 0.54 1.02 -1.26 -3.42 120.64 116.64 2roq n GLU 227 Ca 0.08 0.33 -0.01 0.00 -0.02 0.00 0.00 57.16 57.53 2roq n GLU 227 Cb 0.11 -1.54 0.07 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.00 0.61 -0.17 2.62 3.04 -1.96 0.40 116.25 119.79 2roq h VAL 228 Ca -0.29 -0.05 -0.13 0.00 -1.01 0.00 0.00 66.70 65.21 2roq h VAL 228 Cb 1.18 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2roq h VAL 228 CO -0.18 0.03 -0.46 0.17 -1.01 0.00 0.00 177.57 176.12 2roq h LEU 229 N 0.15 0.47 -1.12 3.16 8.10 -1.77 -2.10 115.31 122.21 2roq h LEU 229 Ca 0.27 -0.22 -0.08 0.00 0.11 0.00 0.00 57.88 57.96 2roq h LEU 229 Cb 0.41 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 2roq h LEU 229 CO -0.42 0.87 -0.38 0.00 -4.11 0.00 0.00 178.44 174.40 2roq h ALA 230 N 1.15 1.13 0.03 0.17 0.00 -1.17 -2.11 119.26 118.46 2roq h ALA 230 Ca 0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2roq h ALA 230 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2roq h ALA 230 CO 0.08 0.48 -0.01 0.93 0.00 0.00 0.00 179.25 180.73 2roq h GLU 231 N 0.00 -0.04 -0.74 0.00 5.08 -0.04 -1.98 114.58 116.86 2roq h GLU 231 Ca -0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2roq h GLU 231 Cb 0.80 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2roq h GLU 231 CO 0.05 0.50 0.49 -0.84 -1.00 0.00 0.00 179.01 178.21 2roq h ILE 232 N -0.97 0.98 0.00 3.13 3.07 -1.43 0.05 117.51 122.34 2roq h ILE 232 Ca -0.00 -0.24 -0.18 0.00 1.55 0.00 0.00 64.86 65.98 2roq h ILE 232 Cb 0.56 0.21 -0.03 0.00 -0.27 0.00 0.00 36.82 37.29 2roq h ILE 232 CO 0.01 0.13 -0.84 -1.13 -1.05 0.00 0.00 178.15 175.26 2roq h ASN 233 N 0.71 0.00 0.18 2.16 -1.24 -1.49 -2.13 115.58 113.77 2roq h ASN 233 Ca 0.33 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 57.16 2roq h ASN 233 Cb 0.36 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 2roq h ASN 233 CO -0.12 0.84 -0.67 0.03 -1.29 0.00 0.00 177.43 176.23 2roq h ARG 234 N 0.00 0.46 0.07 6.67 2.47 -0.35 -0.71 114.38 122.99 2roq h ARG 234 Ca -0.01 -0.34 -0.24 0.00 -1.26 0.00 0.00 59.98 58.13 2roq h ARG 234 Cb 1.53 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.90 2roq h ARG 234 CO 0.11 0.97 -1.13 1.49 0.56 0.00 0.00 179.97 181.97 2roq h GLU 235 N 0.32 0.15 -0.03 0.04 4.57 -1.08 -2.13 114.58 116.44 2roq h GLU 235 Ca -0.02 -0.26 -0.25 0.00 -1.18 0.00 0.00 59.36 57.66 2roq h GLU 235 Cb 1.23 0.10 0.01 0.00 -0.16 0.00 0.00 28.75 29.93 2roq h GLU 235 CO 0.12 1.12 -0.97 0.00 -1.18 0.00 0.00 179.01 178.10 2roq h ARG 236 N 0.04 0.64 0.00 1.92 -0.00 -1.38 -0.88 114.38 114.73 2roq h ARG 236 Ca -0.08 -0.65 -0.07 0.00 -0.50 0.00 0.00 59.98 58.68 2roq h ARG 236 Cb 1.87 0.18 -0.01 0.00 0.00 0.00 0.00 29.97 32.01 2roq h ARG 236 CO 0.17 1.25 -0.32 1.49 0.00 0.00 0.00 179.97 182.56 2roq h GLU 237 N 0.38 0.00 0.00 0.04 4.57 -1.21 -0.40 114.58 117.95 2roq h GLU 237 Ca -0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2roq h GLU 237 Cb 1.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 2roq h GLU 237 CO 0.19 0.32 -0.91 0.00 -1.18 0.00 0.00 179.01 177.43 2roq n ALA 238 N -2.19 2.95 -0.12 2.92 0.00 -0.80 -3.12 120.51 120.14 2roq n ALA 238 Ca 0.02 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 2roq n ALA 238 Cb 0.62 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.23 0.21 -0.16 0.00 7.35 -0.34 -3.01 117.46 119.27 2roq n PHE 239 Ca 0.02 0.09 -0.09 0.00 -0.76 0.00 0.00 57.45 56.70 2roq n PHE 239 Cb 0.48 -0.93 -0.00 0.00 0.35 0.00 0.00 39.48 39.37 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 -1.00 0.71 0.01 -2.13 7.12 -1.27 -3.27 115.31 115.48 2roq h LEU 240 Ca -0.52 -0.25 -0.00 0.00 0.13 0.00 0.00 57.88 57.25 2roq h LEU 240 Cb 1.43 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 2roq h LEU 240 CO -0.31 0.77 -0.00 0.00 -0.13 0.00 0.00 178.44 178.77 2roq h ALA 241 N 0.96 -0.01 -2.70 1.25 0.00 -1.70 -3.43 119.26 113.63 2roq h ALA 241 Ca 0.14 -0.41 -0.29 0.00 0.00 0.00 0.00 54.91 54.36 2roq h ALA 241 Cb 0.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2roq h ALA 241 CO 0.01 -0.07 -0.32 0.00 0.00 0.00 0.00 179.25 178.86 2roq n ALA 242 N -2.56 -0.53 -2.54 0.00 0.00 -1.16 -0.94 120.51 112.77 2roq n ALA 242 Ca -0.09 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 2roq n ALA 242 Cb 0.40 -1.58 -0.00 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 -2.48 -2.42 -0.03 0.00 6.02 -1.26 -4.86 117.38 112.35 2roq n GLN 243 Ca -0.16 0.57 -0.01 0.00 -0.01 0.00 0.00 57.00 57.39 2roq n GLN 243 Cb 0.56 -5.18 -0.00 0.00 1.02 0.00 0.00 30.24 26.64 2roq n GLN 243 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2roq h GLN 244 N -0.12 0.00 0.00 -1.09 -0.00 -1.41 -3.50 115.11 108.99 2roq h GLN 244 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 2roq h GLN 244 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.70 2roq h GLN 244 CO 0.35 0.00 0.00 0.41 0.00 0.00 0.00 178.83 179.59 2roq n GLY 245 N 1.82 0.78 0.01 2.39 0.00 -1.26 -5.07 105.19 103.86 2roq n GLY 245 Ca -0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 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 4.69 -3.92 1.61 7.64 -1.26 -5.00 113.62 117.38 2roq n SER 246 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2roq n SER 246 Cb 0.00 0.57 -0.17 0.00 -1.01 0.00 0.00 64.21 63.60 2roq n SER 246 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2roq s THR 247 N -2.04 1.13 0.00 0.44 2.01 -1.26 -5.07 115.64 110.86 2roq s THR 247 Ca -0.01 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.59 2roq s THR 247 Cb 0.00 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.35 2roq s THR 247 CO 0.05 0.34 0.68 -0.24 -0.69 0.00 0.00 174.62 174.76 2roq n SER 248 N 4.90 0.00 0.00 3.53 2.88 -1.26 -4.58 113.62 119.10 2roq n SER 248 Ca -0.13 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 2roq n SER 248 Cb 0.50 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2roq n SER 248 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2roq n THR 249 N -1.39 0.00 0.11 2.46 -1.04 -1.26 -4.84 114.28 108.33 2roq n THR 249 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2roq n THR 249 Cb 0.00 0.95 -0.02 0.00 -1.82 0.00 0.00 70.33 69.44 2roq n THR 249 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2roq h GLU 250 N 0.00 -0.30 -0.56 -2.82 4.57 -1.99 -2.13 114.58 111.34 2roq h GLU 250 Ca 0.00 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2roq h GLU 250 Cb 0.98 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 2roq h GLU 250 CO 0.00 -0.20 0.34 1.25 -1.18 0.00 0.00 179.01 179.22 2roq h LEU 251 N -0.53 0.68 -1.06 1.64 6.46 -1.92 -2.01 115.31 118.58 2roq h LEU 251 Ca -0.03 -0.06 0.10 0.00 -0.12 0.00 0.00 57.88 57.76 2roq h LEU 251 Cb 0.24 -0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 2roq h LEU 251 CO 0.05 0.55 0.63 -0.26 -0.62 0.00 0.00 178.44 178.78 2roq h PHE 252 N 0.76 1.12 -0.08 1.25 0.04 -1.86 0.15 116.94 118.32 2roq h PHE 252 Ca 0.20 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.88 2roq h PHE 252 Cb -0.01 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 2roq h PHE 252 CO -0.02 0.50 -0.52 1.15 -0.60 0.00 0.00 178.31 178.81 2roq h THR 253 N 1.02 1.36 -0.08 -1.55 2.02 -0.88 -1.66 112.91 113.14 2roq h THR 253 Ca 0.46 -1.79 -0.20 0.00 0.77 0.00 0.00 66.41 65.66 2roq h THR 253 Cb 0.39 1.88 0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2roq h THR 253 CO -0.22 0.53 -0.71 0.71 0.37 0.00 0.00 175.52 176.20 2roq h THR 254 N 0.16 1.33 0.05 3.16 1.35 -0.41 -2.13 112.91 116.43 2roq h THR 254 Ca 0.00 -2.00 -0.00 0.00 -0.55 0.00 0.00 66.41 63.86 2roq h THR 254 Cb 0.98 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2roq h THR 254 CO 0.08 0.61 -0.02 0.40 -0.25 0.00 0.00 175.52 176.34 2roq h ILE 255 N 0.25 1.20 -1.00 6.82 1.08 -0.75 0.27 117.51 125.38 2roq h ILE 255 Ca -0.07 -0.82 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2roq h ILE 255 Cb 1.37 1.74 -0.05 0.00 -3.07 0.00 0.00 36.82 36.81 2roq h ILE 255 CO 0.14 0.21 0.66 1.05 -0.69 0.00 0.00 178.15 179.52 2roq h GLU 256 N -0.43 1.32 0.00 2.37 -0.00 -1.41 -1.83 114.58 114.60 2roq h GLU 256 Ca -0.01 -0.08 -0.10 0.00 -0.00 0.00 0.00 59.36 59.17 2roq h GLU 256 Cb 0.39 -0.30 -0.01 0.00 -0.00 0.00 0.00 28.75 28.83 2roq h GLU 256 CO 0.01 0.88 -0.46 0.78 -0.00 0.00 0.00 179.01 180.22 2roq h GLY 257 N 1.36 0.00 0.51 1.06 0.00 -1.34 -2.14 103.07 102.52 2roq h GLY 257 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 2roq h GLY 257 CO -0.08 0.00 -0.01 -0.57 0.00 0.00 0.00 176.54 175.88 2roq h ASN 258 N 0.00 -0.03 0.60 0.19 -0.73 0.22 -2.11 115.58 113.72 2roq h ASN 258 Ca -0.00 -0.47 -0.15 0.00 1.87 0.00 0.00 56.30 57.54 2roq h ASN 258 Cb 1.27 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.85 2roq h ASN 258 CO 0.06 0.46 -0.70 0.10 -0.37 0.00 0.00 177.43 176.98 2roq h TYR 259 N -0.53 0.11 0.06 0.67 -0.00 -1.45 -1.95 116.97 113.88 2roq h TYR 259 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 58.73 58.67 2roq h TYR 259 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.21 2roq h TYR 259 CO 0.09 0.76 -0.03 0.00 -0.00 0.00 0.00 178.16 178.98 2roq h ALA 260 N 1.23 -0.08 -0.21 0.10 0.00 -1.41 0.29 119.26 119.18 2roq h ALA 260 Ca -0.01 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2roq h ALA 260 Cb 1.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2roq h ALA 260 CO 0.10 -0.44 -0.45 -0.44 0.00 0.00 0.00 179.25 178.01 2roq h ASP 261 N -0.29 0.56 -0.36 0.00 3.32 -1.43 -1.06 116.42 117.17 2roq h ASP 261 Ca -0.01 -0.26 -0.14 0.00 0.02 0.00 0.00 57.03 56.64 2roq h ASP 261 Cb 0.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2roq h ASP 261 CO 0.01 0.93 -0.33 0.00 -1.72 0.00 0.00 179.24 178.13 2roq h ALA 262 N 1.09 0.52 0.00 3.45 0.00 -1.27 0.31 119.26 123.36 2roq h ALA 262 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2roq h ALA 262 Cb 0.96 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2roq h ALA 262 CO 0.08 0.58 0.00 1.55 0.00 0.00 0.00 179.25 181.46 2roq n VAL 263 N -4.15 0.20 0.27 0.00 3.14 0.10 -1.90 118.33 116.00 2roq n VAL 263 Ca -0.03 -0.09 0.08 0.00 -2.96 0.00 0.00 64.34 61.35 2roq n VAL 263 Cb 0.51 -0.54 -0.12 0.00 -1.06 0.00 0.00 33.84 32.63 2roq n VAL 263 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2roq n ARG 264 N -1.74 0.87 -0.01 1.45 0.63 -0.41 -4.37 116.66 113.08 2roq n ARG 264 Ca 0.06 -0.10 0.10 0.00 -0.92 0.00 0.00 57.85 57.00 2roq n ARG 264 Cb 0.37 -1.36 -0.14 0.00 0.45 0.00 0.00 32.46 31.77 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2roq n LEU 265 N -1.85 0.47 0.14 6.15 -0.00 0.11 -4.22 117.00 117.79 2roq n LEU 265 Ca -0.01 -0.24 0.10 0.00 -0.00 0.00 0.00 56.01 55.87 2roq n LEU 265 Cb 0.38 0.00 0.52 0.00 -0.00 0.00 0.00 43.42 44.32 2roq n LEU 265 CO 0.35 0.12 0.81 0.00 -0.00 0.00 0.00 177.39 178.67 2roq n LEU 266 N -1.88 0.54 0.07 1.47 -0.00 -0.80 -1.42 117.00 114.98 2roq n LEU 266 Ca -0.00 0.72 -0.13 0.00 -0.00 0.00 0.00 56.01 56.60 2roq n LEU 266 Cb 0.44 -0.75 -0.13 0.00 -0.00 0.00 0.00 43.42 42.98 2roq n LEU 266 CO 0.44 -0.83 -0.08 0.74 -0.00 0.00 0.00 177.39 177.66 2roq h THR 267 N 0.00 1.45 0.00 1.47 2.02 -1.73 -3.31 112.91 112.81 2roq h THR 267 Ca 0.00 -3.10 -0.04 0.00 0.77 0.00 0.00 66.41 64.04 2roq h THR 267 Cb 0.09 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 2roq h THR 267 CO 0.00 0.88 -0.96 0.74 0.37 0.00 0.00 175.52 176.55 2roq h THR 268 N 0.04 0.15 -2.63 3.16 2.02 -1.50 -3.46 112.91 110.69 2roq h THR 268 Ca -0.13 -1.28 -0.45 0.00 0.77 0.00 0.00 66.41 65.32 2roq h THR 268 Cb 1.92 1.72 0.23 0.00 -1.74 0.00 0.00 68.15 70.28 2roq h THR 268 CO 0.16 0.09 -0.69 0.00 0.37 0.00 0.00 175.52 175.45 2roq n ALA 269 N -2.22 -3.75 -2.38 6.16 0.00 -0.59 -5.00 120.51 112.72 2roq n ALA 269 Ca -0.02 -1.27 -0.24 0.00 0.00 0.00 0.00 53.44 51.92 2roq n ALA 269 Cb 0.62 -1.69 0.01 0.00 0.00 0.00 0.00 19.45 18.38 2roq n ALA 269 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2roq s HIS 270 N -2.29 3.33 -0.34 0.00 3.76 -1.26 -5.04 115.29 113.44 2roq s HIS 270 Ca 0.61 0.35 0.02 0.00 -0.15 0.00 0.00 55.06 55.89 2roq s HIS 270 Cb -0.17 -2.24 0.15 0.00 1.11 0.00 0.00 32.58 31.43 2roq s HIS 270 CO 0.66 -0.26 0.35 -1.54 -0.85 0.00 0.00 174.74 173.10 2roq s SER 271 N -4.17 1.28 -0.25 1.40 1.04 -1.26 -4.73 113.70 107.00 2roq s SER 271 Ca 0.47 -1.30 0.02 0.00 0.48 0.00 0.00 55.95 55.61 2roq s SER 271 Cb -0.10 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.65 2roq s SER 271 CO 0.39 -0.30 -0.06 -0.69 0.98 0.00 0.00 173.24 173.56 2roq s VAL 272 N 1.74 1.74 0.68 5.02 1.01 -1.26 -5.02 120.40 124.31 2roq s VAL 272 Ca 0.14 -1.43 -0.14 0.00 0.00 0.00 0.00 61.98 60.55 2roq s VAL 272 Cb -0.15 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.25 2roq s VAL 272 CO -0.13 -0.14 1.11 -2.16 0.00 0.00 0.00 175.10 173.78 2roq s PRO 273 N 1.28 2.68 0.05 2.72 0.04 -1.26 -4.22 135.00 136.29 2roq s PRO 273 Ca -0.05 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.41 2roq s PRO 273 Cb -0.19 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2roq s PRO 273 CO -0.07 -1.34 -0.18 0.12 0.04 0.00 0.00 177.00 175.58 2roq s PHE 274 N -2.46 2.56 -0.66 0.56 5.36 -1.26 -4.95 117.98 117.12 2roq s PHE 274 Ca 0.66 -0.26 -0.04 0.00 -0.96 0.00 0.00 56.93 56.33 2roq s PHE 274 Cb -0.20 -1.44 0.11 0.00 -0.34 0.00 0.00 43.02 41.15 2roq s PHE 274 CO 0.45 0.28 2.61 -0.25 -1.46 0.00 0.00 175.22 176.84 2roq n ASP 275 N 1.42 6.88 0.00 6.13 9.92 -1.26 -4.34 116.55 135.29 2roq n ASP 275 Ca -0.16 -3.27 0.00 0.00 -0.53 0.00 0.00 54.79 50.83 2roq n ASP 275 Cb 0.52 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2roq n GLY 276 N 0.86 1.79 2.75 0.44 0.00 -1.26 -4.40 105.19 105.38 2roq n GLY 276 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 3.89 0.76 0.09 1.61 1.02 -1.26 -3.10 119.74 122.74 2roq s LYS 277 Ca 0.00 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 2roq s LYS 277 Cb 0.00 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 2roq s LYS 277 CO 0.00 -0.85 -0.00 0.00 -0.92 0.00 0.00 175.35 173.58 2roq s ALA 278 N 1.69 0.72 -0.03 5.17 0.00 -1.22 -3.40 121.76 124.69 2roq s ALA 278 Ca 0.05 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.71 2roq s ALA 278 Cb -0.17 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 2roq s ALA 278 CO -0.19 -0.40 -0.09 0.99 0.00 0.00 0.00 175.76 176.08 2roq s THR 279 N -3.92 3.51 -0.16 0.00 2.01 -1.23 -3.32 115.64 112.53 2roq s THR 279 Ca 0.14 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 2roq s THR 279 Cb 0.07 -2.46 0.05 0.00 0.01 0.00 0.00 72.50 70.17 2roq s THR 279 CO -0.05 0.49 0.01 -0.22 -0.69 0.00 0.00 174.62 174.17 2roq s LEU 280 N -1.09 1.09 -0.04 4.42 2.96 -1.23 -1.76 118.68 123.02 2roq s LEU 280 Ca 0.14 -0.59 -0.17 0.00 -0.22 0.00 0.00 54.13 53.29 2roq s LEU 280 Cb -0.11 -0.61 -0.05 0.00 0.50 0.00 0.00 46.19 45.92 2roq s LEU 280 CO 0.04 -0.26 0.46 0.12 -1.32 0.00 0.00 176.35 175.40 2roq s PHE 281 N 1.85 3.64 0.38 5.38 2.19 -1.23 -2.66 117.98 127.53 2roq s PHE 281 Ca 0.01 0.99 -0.07 0.00 0.33 0.00 0.00 56.93 58.19 2roq s PHE 281 Cb -0.15 -2.45 -0.05 0.00 -1.31 0.00 0.00 43.02 39.06 2roq s PHE 281 CO -0.07 0.41 0.68 0.54 1.83 0.00 0.00 175.22 178.61 2roq s VAL 282 N -0.28 4.92 -0.88 3.12 0.11 -0.71 -3.35 120.40 123.33 2roq s VAL 282 Ca 0.25 0.25 -0.01 0.00 -2.93 0.00 0.00 61.98 59.55 2roq s VAL 282 Cb -0.16 -3.77 0.24 0.00 -1.53 0.00 0.00 36.38 31.15 2roq s VAL 282 CO 0.13 -0.53 0.87 0.00 -3.33 0.00 0.00 175.10 172.24 2roq n ALA 283 N -1.43 4.03 0.05 1.54 0.00 -1.26 -3.73 120.51 119.71 2roq n ALA 283 Ca 0.00 -4.66 0.18 0.00 0.00 0.00 0.00 53.44 48.97 2roq n ALA 283 Cb 0.54 -1.65 0.70 0.00 0.00 0.00 0.00 19.45 19.04 2roq n ALA 283 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2roq h GLU 284 N 5.61 0.00 -0.05 0.00 5.08 -1.69 0.13 114.58 123.65 2roq h GLU 284 Ca 0.17 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2roq h GLU 284 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2roq h GLU 284 CO 0.92 0.00 0.09 0.00 -1.00 0.00 0.00 179.01 179.01 2roq h ARG 285 N 0.00 0.00 0.00 2.33 2.47 -1.77 -1.49 114.38 115.93 2roq h ARG 285 Ca 0.21 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.90 2roq h ARG 285 Cb 0.85 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.11 2roq h ARG 285 CO -0.00 0.00 -0.45 2.41 0.56 0.00 0.00 179.97 182.49 2roq n THR 286 N -3.54 1.51 -1.58 2.04 -1.04 0.41 -4.94 114.28 107.15 2roq n THR 286 Ca -0.02 -2.25 -0.51 0.00 -2.04 0.00 0.00 64.05 59.23 2roq n THR 286 Cb 0.17 0.05 -0.05 0.00 -1.82 0.00 0.00 70.33 68.68 2roq n THR 286 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roq n LEU 287 N -0.82 1.44 0.23 -4.42 -0.00 -0.56 -4.80 117.00 108.06 2roq n LEU 287 Ca 0.14 1.13 0.16 0.00 -0.00 0.00 0.00 56.01 57.44 2roq n LEU 287 Cb 0.75 -1.18 0.78 0.00 -0.00 0.00 0.00 43.42 43.78 2roq n LEU 287 CO -0.02 -1.24 0.96 -0.61 -0.00 0.00 0.00 177.39 176.48 2roq h GLN 288 N 3.89 0.00 -1.39 1.47 4.15 -1.91 -3.45 115.11 117.86 2roq h GLN 288 Ca -0.46 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 58.62 2roq h GLN 288 Cb 1.35 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.94 2roq h GLN 288 CO 0.73 0.00 -0.36 -1.91 -1.93 0.00 0.00 178.83 175.36 2roq n GLU 289 N -2.60 -1.25 0.00 1.69 0.00 -1.26 -4.80 120.64 112.42 2roq n GLU 289 Ca -0.01 1.00 0.00 0.00 0.00 0.00 0.00 57.16 58.15 2roq n GLU 289 Cb 0.11 -5.30 0.00 0.00 0.00 0.00 0.00 31.44 26.24 2roq n GLU 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2roq n GLY 290 N -0.93 -2.10 3.75 8.31 0.00 -1.26 -5.09 105.19 107.87 2roq n GLY 290 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2roq n GLY 290 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2roq s MET 291 N -0.05 4.21 -0.48 1.61 -1.94 -1.26 -4.97 119.30 116.42 2roq s MET 291 Ca 0.00 2.42 0.06 0.00 -1.71 0.00 0.00 55.69 56.47 2roq s MET 291 Cb 0.00 -3.06 0.23 0.00 2.01 0.00 0.00 34.83 34.01 2roq s MET 291 CO 0.00 -0.48 0.81 0.45 -0.01 0.00 0.00 175.02 175.78 2roq n SER 292 N 1.88 -2.64 -3.53 3.03 2.88 -1.26 -5.11 113.62 108.86 2roq n SER 292 Ca 0.06 -3.15 -0.29 0.00 -1.33 0.00 0.00 58.87 54.16 2roq n SER 292 Cb 0.39 1.51 0.25 0.00 -0.75 0.00 0.00 64.21 65.61 2roq n SER 292 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2roq n PRO 293 N 1.91 -3.12 -2.75 -1.46 -0.04 -1.26 -5.03 135.00 123.25 2roq n PRO 293 Ca 0.12 -1.72 -0.05 0.00 -0.04 0.00 0.00 63.50 61.82 2roq n PRO 293 Cb 0.60 -1.61 0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2roq n PRO 293 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2roq n GLU 294 N -4.79 0.57 -3.05 0.54 2.13 -1.26 -4.98 120.64 109.79 2roq n GLU 294 Ca 0.15 -1.87 -0.13 0.00 0.66 0.00 0.00 57.16 55.97 2roq n GLU 294 Cb 0.58 -1.37 0.06 0.00 0.27 0.00 0.00 31.44 30.99 2roq n GLU 294 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2roq n ARG 295 N 2.55 -2.85 -0.13 5.31 5.12 -1.26 -4.98 116.66 120.42 2roq n ARG 295 Ca 0.15 0.74 -0.26 0.00 -1.93 0.00 0.00 57.85 56.55 2roq n ARG 295 Cb 0.59 -5.25 -0.11 0.00 -1.16 0.00 0.00 32.46 26.52 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 -3.15 1.21 -2.09 7.54 0.00 -1.26 -4.98 120.51 117.77 2roq n ALA 296 Ca -0.11 -1.03 -0.19 0.00 0.00 0.00 0.00 53.44 52.10 2roq n ALA 296 Cb 0.61 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 2roq n ALA 296 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2roq n TRP 297 N -4.00 -0.70 -2.85 0.00 7.02 -1.26 -3.15 117.44 112.49 2roq n TRP 297 Ca -0.50 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 55.95 2roq n TRP 297 Cb 0.90 -3.61 0.00 0.00 -2.42 0.00 0.00 31.31 26.19 2roq n TRP 297 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2roq n SER 298 N -1.69 -7.35 0.00 -0.99 7.64 -1.26 -4.88 113.62 105.08 2roq n SER 298 Ca -0.22 0.14 0.07 0.00 1.01 0.00 0.00 58.87 59.87 2roq n SER 298 Cb 0.66 -4.97 0.32 0.00 -1.01 0.00 0.00 64.21 59.21 2roq n SER 298 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2roq n PRO 299 N -1.20 0.05 0.00 1.43 -0.04 -1.19 -3.92 135.00 130.13 2roq n PRO 299 Ca 0.04 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2roq n PRO 299 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.45 0.00 -3.66 0.54 8.01 -1.26 -4.66 117.44 114.97 2roq n TRP 300 Ca 0.04 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.88 2roq n TRP 300 Cb 0.15 -0.31 -0.05 0.00 -2.01 0.00 0.00 31.31 29.09 2roq n TRP 300 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2roq s ILE 301 N -2.24 5.19 0.53 -0.99 1.01 -1.25 -4.73 121.20 118.72 2roq s ILE 301 Ca 0.00 0.35 0.30 0.00 0.00 0.00 0.00 60.65 61.30 2roq s ILE 301 Cb 0.00 -3.61 0.47 0.00 0.01 0.00 0.00 42.46 39.33 2roq s ILE 301 CO 0.00 0.35 1.90 0.00 0.00 0.00 0.00 174.94 177.19 2roq h ALA 302 N 3.94 2.79 -2.10 9.38 0.00 -1.77 -3.40 119.26 128.10 2roq h ALA 302 Ca -0.50 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.40 2roq h ALA 302 Cb 1.20 0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 2roq h ALA 302 CO 0.66 -1.03 -0.07 -2.00 0.00 0.00 0.00 179.25 176.80 2roq s GLU 303 N -4.99 0.62 0.26 0.00 -6.30 -1.18 -5.05 118.70 102.06 2roq s GLU 303 Ca -0.05 1.22 -0.21 0.00 -2.50 0.00 0.00 54.97 53.43 2roq s GLU 303 Cb 0.21 0.30 0.02 0.00 0.00 0.00 0.00 34.13 34.67 2roq s GLU 303 CO 0.77 -0.17 0.68 -0.48 0.02 0.00 0.00 175.26 176.08 2roq s LEU 304 N 1.95 -0.24 -0.41 2.70 0.05 -1.26 -3.45 118.68 118.01 2roq s LEU 304 Ca -0.09 -0.55 0.03 0.00 0.05 0.00 0.00 54.13 53.57 2roq s LEU 304 Cb -0.07 2.62 0.12 0.00 -2.05 0.00 0.00 46.19 46.81 2roq s LEU 304 CO -0.19 -1.28 0.16 -1.81 -0.55 0.00 0.00 176.35 172.69 2roq s ASP 305 N -2.90 4.27 -0.17 1.48 1.01 -1.21 -5.03 116.67 114.12 2roq s ASP 305 Ca 0.11 -2.43 -0.27 0.00 0.71 0.00 0.00 52.55 50.67 2roq s ASP 305 Cb -0.05 -1.38 -0.01 0.00 1.01 0.00 0.00 42.92 42.49 2roq s ASP 305 CO 0.04 -0.32 0.90 0.27 0.21 0.00 0.00 175.17 176.28 2roq s ILE 306 N 0.54 4.83 0.27 0.77 -5.25 -1.26 -3.54 121.20 117.56 2roq s ILE 306 Ca 0.14 1.78 0.07 0.00 -0.99 0.00 0.00 60.65 61.65 2roq s ILE 306 Cb -0.22 -4.20 -0.03 0.00 2.95 0.00 0.00 42.46 40.96 2roq s ILE 306 CO -0.07 -0.01 0.21 -0.31 -1.79 0.00 0.00 174.94 172.97 2roq s TYR 307 N 2.28 3.03 -0.21 1.37 1.51 -1.09 -5.01 117.35 119.24 2roq s TYR 307 Ca 0.41 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 2roq s TYR 307 Cb -0.17 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.25 2roq s TYR 307 CO 0.13 0.45 -0.07 1.03 -1.11 0.00 0.00 175.55 175.97 2roq s ARG 308 N -3.87 1.73 -0.14 -0.62 0.52 -1.26 -1.73 118.95 113.58 2roq s ARG 308 Ca 0.35 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.63 2roq s ARG 308 Cb -0.07 -2.44 0.06 0.00 0.52 0.00 0.00 34.95 33.02 2roq s ARG 308 CO 0.25 -0.51 0.32 -1.14 0.02 0.00 0.00 175.30 174.24 2roq s GLN 309 N 1.43 0.26 -0.76 3.54 0.74 -1.24 -5.01 119.66 118.62 2roq s GLN 309 Ca -0.03 0.73 -0.26 0.00 0.05 0.00 0.00 55.36 55.86 2roq s GLN 309 Cb -0.17 -0.00 -0.09 0.00 1.10 0.00 0.00 33.01 33.84 2roq s GLN 309 CO -0.07 -0.21 2.22 0.16 -0.55 0.00 0.00 175.29 176.84 2roq s ASP 310 N 1.82 4.48 0.02 6.67 -4.77 -1.26 -2.74 116.67 120.88 2roq s ASP 310 Ca -0.05 0.03 -0.17 0.00 -3.30 0.00 0.00 52.55 49.06 2roq s ASP 310 Cb -0.11 -2.54 0.03 0.00 -1.09 0.00 0.00 42.92 39.21 2roq s ASP 310 CO -0.10 -3.24 0.38 0.00 0.70 0.00 0.00 175.17 172.91 2roq s ALA 312 N -2.08 2.16 0.63 0.00 0.00 -1.26 -4.05 121.76 117.16 2roq s ALA 312 Ca -0.08 -1.09 0.30 0.00 0.00 0.00 0.00 51.96 51.08 2roq s ALA 312 Cb -0.02 -0.59 1.60 0.00 0.00 0.00 0.00 23.12 24.11 2roq s ALA 312 CO 0.00 0.49 1.95 1.12 0.00 0.00 0.00 175.76 179.33 2roq h HIS 313 N 5.69 0.00 0.00 0.00 2.07 -1.97 0.50 115.15 121.43 2roq h HIS 313 Ca -0.39 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.03 2roq h HIS 313 Cb 1.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.11 2roq h HIS 313 CO 0.40 0.00 -0.47 -0.39 -3.07 0.00 0.00 177.93 174.40 2roq h VAL 314 N 0.00 1.15 0.00 6.12 -1.51 -1.94 -3.24 116.25 116.83 2roq h VAL 314 Ca 0.09 -1.74 -0.05 0.00 -1.23 0.00 0.00 66.70 63.77 2roq h VAL 314 Cb 0.80 1.99 -0.11 0.00 -2.13 0.00 0.00 31.29 31.84 2roq h VAL 314 CO -0.00 0.46 -0.55 -0.90 -1.23 0.00 0.00 177.57 175.36 2roq n ASP 315 N -3.70 1.39 0.01 4.19 5.75 0.13 -4.63 116.55 119.69 2roq n ASP 315 Ca -0.01 -2.93 0.11 0.00 -0.01 0.00 0.00 54.79 51.95 2roq n ASP 315 Cb 0.54 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2roq n ILE 316 N -0.57 0.07 0.19 2.12 3.06 0.11 -4.08 119.36 120.26 2roq n ILE 316 Ca 0.12 -0.21 0.05 0.00 -2.50 0.00 0.00 62.75 60.21 2roq n ILE 316 Cb 0.81 0.42 0.21 0.00 0.54 0.00 0.00 39.64 41.62 2roq n ILE 316 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2roq n ILE 317 N -1.86 1.22 -1.99 9.51 0.13 -1.26 -4.69 119.36 120.42 2roq n ILE 317 Ca 0.01 -0.70 -0.30 0.00 -1.10 0.00 0.00 62.75 60.66 2roq n ILE 317 Cb 0.43 -0.17 0.03 0.00 -0.84 0.00 0.00 39.64 39.09 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 -0.61 5.73 0.00 9.51 1.04 -1.26 -4.94 113.70 123.17 2roq s SER 318 Ca 0.29 1.15 0.15 0.00 0.48 0.00 0.00 55.95 58.02 2roq s SER 318 Cb 0.20 -2.07 0.77 0.00 0.10 0.00 0.00 66.02 65.02 2roq s SER 318 CO 0.12 -1.13 1.40 -0.81 0.98 0.00 0.00 173.24 173.80 2roq n PRO 319 N -2.84 0.24 0.01 4.02 -0.04 -1.26 -3.02 135.00 132.11 2roq n PRO 319 Ca 0.06 0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 2roq n PRO 319 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2roq n PRO 319 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2roq h GLY 320 N 2.45 0.27 1.57 0.55 0.00 -1.94 -3.22 103.07 102.75 2roq h GLY 320 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 2roq h GLY 320 CO 0.00 0.60 -0.44 -0.84 0.00 0.00 0.00 176.54 175.86 2roq h THR 321 N -0.41 1.31 0.05 4.70 2.02 -1.81 -2.13 112.91 116.64 2roq h THR 321 Ca -0.23 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.32 2roq h THR 321 Cb 1.65 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2roq h THR 321 CO 0.07 0.50 -0.02 -0.26 0.37 0.00 0.00 175.52 176.18 2roq h PHE 322 N 0.38 -0.06 -0.08 3.16 0.04 -1.70 -2.05 116.94 116.63 2roq h PHE 322 Ca 0.03 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 2roq h PHE 322 Cb 0.92 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 2roq h PHE 322 CO 0.03 0.05 -0.29 0.93 -0.60 0.00 0.00 178.31 178.43 2roq h GLU 323 N -0.16 0.14 -0.78 1.51 5.08 -1.56 -2.82 114.58 116.00 2roq h GLU 323 Ca -0.01 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2roq h GLU 323 Cb 0.14 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2roq h GLU 323 CO 0.01 0.42 0.30 0.87 -1.00 0.00 0.00 179.01 179.61 2roq h LYS 324 N 0.13 1.17 -2.03 2.33 1.57 -1.06 -3.00 116.57 115.68 2roq h LYS 324 Ca 0.02 -0.22 -0.73 0.00 -1.87 0.00 0.00 60.65 57.85 2roq h LYS 324 Cb 0.58 -0.19 -0.25 0.00 0.08 0.00 0.00 32.23 32.45 2roq h LYS 324 CO 0.04 0.96 0.98 -0.89 -0.57 0.00 0.00 179.45 179.97 2roq n ILE 325 N -4.29 3.77 0.00 1.86 5.41 -0.80 -4.67 119.36 120.64 2roq n ILE 325 Ca 0.07 -4.23 0.00 0.00 1.00 0.00 0.00 62.75 59.59 2roq n ILE 325 Cb 0.19 -1.33 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 2roq n ILE 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2roq n GLY 326 N -0.26 -0.43 0.17 7.39 0.00 -1.13 -4.07 105.19 106.85 2roq n GLY 326 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2roq n GLY 326 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2roq h PRO 327 N 0.00 0.02 0.00 1.61 0.13 -1.84 -2.65 132.00 129.28 2roq h PRO 327 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2roq h PRO 327 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2roq h PRO 327 CO 0.00 0.51 0.00 0.44 -0.23 0.00 0.00 178.00 178.72 2roq n ILE 328 N -3.96 0.67 0.12 -3.56 -5.35 -1.26 -2.54 119.36 103.47 2roq n ILE 328 Ca -0.02 0.14 0.03 0.00 -0.27 0.00 0.00 62.75 62.64 2roq n ILE 328 Cb 0.51 -0.85 0.01 0.00 -1.74 0.00 0.00 39.64 37.57 2roq n ILE 328 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 2roq h ILE 329 N 0.00 0.68 0.00 7.28 2.10 -1.61 -2.98 117.51 122.98 2roq h ILE 329 Ca 0.00 -2.02 -0.00 0.00 1.08 0.00 0.00 64.86 63.92 2roq h ILE 329 Cb 0.37 2.27 0.00 0.00 -1.09 0.00 0.00 36.82 38.36 2roq h ILE 329 CO 0.00 0.39 -0.00 -0.09 -1.08 0.00 0.00 178.15 177.37 2roq h ARG 330 N 0.00 -0.00 -0.07 2.19 2.43 -1.60 -2.13 114.38 115.20 2roq h ARG 330 Ca -0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2roq h ARG 330 Cb 1.38 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2roq h ARG 330 CO 0.05 0.90 -0.11 0.00 -1.51 0.00 0.00 179.97 179.30 2roq h ALA 331 N -0.07 1.70 0.04 2.80 0.00 -1.69 0.30 119.26 122.35 2roq h ALA 331 Ca -0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2roq h ALA 331 Cb 0.90 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.66 2roq h ALA 331 CO 0.00 0.22 -0.57 1.15 0.00 0.00 0.00 179.25 180.06 2roq h THR 332 N 0.10 1.50 0.00 0.00 2.02 -1.62 -2.12 112.91 112.78 2roq h THR 332 Ca 0.02 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.99 2roq h THR 332 Cb 0.26 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 2roq h THR 332 CO 0.02 0.63 0.00 -0.07 0.37 0.00 0.00 175.52 176.46 2roq h LEU 333 N -0.31 0.00 0.00 2.58 3.38 -1.16 -2.11 115.31 117.70 2roq h LEU 333 Ca -0.08 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.66 2roq h LEU 333 Cb 1.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2roq h LEU 333 CO 0.11 0.00 -1.35 -1.13 0.09 0.00 0.00 178.44 176.16 2roq h ASN 334 N 0.00 0.00 0.87 -0.43 -0.73 -0.44 -2.10 115.58 112.75 2roq h ASN 334 Ca 0.00 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 57.95 2roq h ASN 334 Cb 0.70 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.26 2roq h ASN 334 CO 0.00 0.84 -1.20 0.08 -0.37 0.00 0.00 177.43 176.78 2roq h ARG 335 N 0.00 0.00 0.00 6.67 0.11 -1.26 -3.33 114.38 116.57 2roq h ARG 335 Ca -0.17 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.81 2roq h ARG 335 Cb 1.79 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.85 2roq h ARG 335 CO 0.08 0.72 -1.33 1.47 0.10 0.00 0.00 179.97 181.01 2roq n LEU 336 N -3.20 0.77 0.06 0.08 -0.00 -0.80 -4.32 117.00 109.59 2roq n LEU 336 Ca -0.06 0.32 -0.14 0.00 -0.00 0.00 0.00 56.01 56.13 2roq n LEU 336 Cb 0.94 0.03 -0.07 0.00 -0.00 0.00 0.00 43.42 44.32 2roq n LEU 336 CO 0.45 0.02 0.57 -0.33 -0.00 0.00 0.00 177.39 178.10 2roq h GLU 337 N 0.00 -0.58 -2.42 1.47 5.08 -1.48 -3.45 114.58 113.21 2roq h GLU 337 Ca -0.10 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2roq h GLU 337 Cb 1.35 0.13 -0.21 0.00 0.50 0.00 0.00 28.75 30.52 2roq h GLU 337 CO 0.03 -0.39 -0.04 -1.58 -1.00 0.00 0.00 179.01 176.03 2roq s HIS 338 N -5.86 -0.55 0.27 4.33 5.04 -1.26 -5.07 115.29 112.20 2roq s HIS 338 Ca -0.16 1.20 0.00 0.00 -1.54 0.00 0.00 55.06 54.56 2roq s HIS 338 Cb 0.08 0.23 0.00 0.00 0.04 0.00 0.00 32.58 32.93 2roq s HIS 338 CO 0.63 -0.38 0.00 0.72 -2.34 0.00 0.00 174.74 173.37 2roq n HIS 339 N 2.10 -3.35 -1.39 3.88 8.25 -1.26 -4.82 115.22 118.63 2roq n HIS 339 Ca -0.16 1.47 -0.09 0.00 -0.26 0.00 0.00 57.72 58.68 2roq n HIS 339 Cb 0.56 -2.68 0.06 0.00 1.12 0.00 0.00 29.99 29.05 2roq n HIS 339 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2roq n HIS 340 N -3.81 -3.92 -1.31 4.41 8.25 -1.26 -4.61 115.22 112.97 2roq n HIS 340 Ca 0.01 -0.37 -0.35 0.00 -0.26 0.00 0.00 57.72 56.74 2roq n HIS 340 Cb 0.54 -0.30 0.10 0.00 1.12 0.00 0.00 29.99 31.45 2roq n HIS 340 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2roq n HIS 341 N -2.48 1.03 -0.01 4.41 1.44 -1.26 -4.83 115.22 113.51 2roq n HIS 341 Ca 0.05 0.40 -0.05 0.00 -2.01 0.00 0.00 57.72 56.11 2roq n HIS 341 Cb 0.18 -2.11 -0.02 0.00 0.12 0.00 0.00 29.99 28.16 2roq n HIS 341 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2roq n HIS 342 N -2.73 0.00 0.38 -1.40 -0.00 -1.26 -5.10 115.22 105.10 2roq n HIS 342 Ca 0.13 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.89 2roq n HIS 342 Cb 0.50 -0.22 0.18 0.00 -0.00 0.00 0.00 29.99 30.44 2roq n HIS 342 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92