#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 2.95 1.05 4.03 2.01 -1.26 -5.01 118.68 122.46 2roq s LEU 2 Ca 0.00 2.13 -0.14 0.00 0.01 0.00 0.00 54.13 56.13 2roq s LEU 2 Cb 0.00 -4.56 0.22 0.00 0.01 0.00 0.00 46.19 41.86 2roq s LEU 2 CO 0.00 -2.76 1.10 -2.16 1.01 0.00 0.00 176.35 173.54 2roq s PRO 3 N -4.61 -0.03 0.20 1.29 0.04 -1.26 -5.08 135.00 125.55 2roq s PRO 3 Ca 0.66 0.37 0.11 0.00 0.04 0.00 0.00 61.00 62.18 2roq s PRO 3 Cb -0.22 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2roq s PRO 3 CO 0.56 -3.01 -0.20 -1.21 0.04 0.00 0.00 177.00 173.18 2roq s GLU 4 N -5.05 1.67 -0.42 4.56 0.41 -1.26 -5.10 118.70 113.51 2roq s GLU 4 Ca 0.67 -1.48 -0.26 0.00 -0.41 0.00 0.00 54.97 53.49 2roq s GLU 4 Cb -0.17 -1.92 0.02 0.00 -1.78 0.00 0.00 34.13 30.28 2roq s GLU 4 CO 0.57 0.40 0.98 -0.51 -0.49 0.00 0.00 175.26 176.21 2roq s LEU 5 N -2.78 3.92 -0.33 1.80 1.43 -1.26 -4.89 118.68 116.57 2roq s LEU 5 Ca 0.22 0.42 0.09 0.00 -1.03 0.00 0.00 54.13 53.83 2roq s LEU 5 Cb -0.08 -3.31 0.71 0.00 0.03 0.00 0.00 46.19 43.54 2roq s LEU 5 CO 0.12 -1.01 1.78 2.29 0.23 0.00 0.00 176.35 179.76 2roq n LYS 6 N 7.13 3.31 -1.19 1.70 2.85 -1.26 -4.44 118.16 126.27 2roq n LYS 6 Ca 0.08 -3.08 -0.22 0.00 -1.05 0.00 0.00 58.31 54.04 2roq n LYS 6 Cb 0.48 -2.16 0.18 0.00 -0.65 0.00 0.00 35.03 32.88 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2roq n ALA 7 N -0.41 5.49 -3.91 0.58 0.00 -1.26 -4.96 120.51 116.04 2roq n ALA 7 Ca 0.42 -2.93 0.11 0.00 0.00 0.00 0.00 53.44 51.04 2roq n ALA 7 Cb 1.38 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2roq n ALA 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2roq n GLN 8 N -1.15 0.51 0.01 0.00 6.02 -1.26 -5.08 117.38 116.43 2roq n GLN 8 Ca 0.57 -1.27 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 2roq n GLN 8 Cb 1.61 1.78 0.00 0.00 1.02 0.00 0.00 30.24 34.65 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2roq n ALA 9 N -0.85 0.00 0.42 -1.58 0.00 -1.26 -4.95 120.51 112.30 2roq n ALA 9 Ca -0.13 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.42 2roq n ALA 9 Cb 0.57 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.46 2roq n ALA 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roq n PRO 10 N -2.82 0.14 -3.00 0.00 -0.04 -1.26 -4.48 135.00 123.53 2roq n PRO 10 Ca 0.00 0.37 0.03 0.00 -0.04 0.00 0.00 63.50 63.86 2roq n PRO 10 Cb 0.00 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 2roq n PRO 10 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2roq s GLY 11 N -3.38 -1.30 0.30 0.55 0.00 -1.26 -3.28 107.32 98.95 2roq s GLY 11 Ca 0.05 1.28 0.07 0.00 0.00 0.00 0.00 44.72 46.11 2roq s GLY 11 CO 0.35 4.06 0.34 1.09 0.00 0.00 0.00 173.10 178.94 2roq s ARG 12 N 2.30 3.02 0.46 2.90 1.70 -1.26 -4.82 118.95 123.25 2roq s ARG 12 Ca 0.18 -1.06 -0.05 0.00 -0.47 0.00 0.00 55.73 54.33 2roq s ARG 12 Cb -0.01 -2.67 -0.04 0.00 -0.57 0.00 0.00 34.95 31.66 2roq s ARG 12 CO -0.17 0.21 0.75 0.00 -1.08 0.00 0.00 175.30 175.02 2roq s ALA 13 N -2.17 3.44 -1.06 7.88 0.00 -1.26 -4.23 121.76 124.35 2roq s ALA 13 Ca 0.39 -0.54 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 2roq s ALA 13 Cb -0.08 -2.53 -0.07 0.00 0.00 0.00 0.00 23.12 20.44 2roq s ALA 13 CO 0.28 -0.29 1.94 -1.25 0.00 0.00 0.00 175.76 176.44 2roq s PRO 14 N -4.63 2.52 -0.01 0.00 0.04 -1.26 -4.05 135.00 127.62 2roq s PRO 14 Ca 0.47 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2roq s PRO 14 Cb -0.10 -5.17 0.01 0.00 0.04 0.00 0.00 34.50 29.28 2roq s PRO 14 CO 0.43 -3.72 0.25 1.17 0.04 0.00 0.00 177.00 175.17 2roq n LYS 15 N 8.53 0.04 -0.13 4.56 0.00 -1.26 -4.97 118.16 124.93 2roq n LYS 15 Ca 0.43 -0.13 -0.26 0.00 0.00 0.00 0.00 58.31 58.35 2roq n LYS 15 Cb 0.47 0.39 -0.10 0.00 0.00 0.00 0.00 35.03 35.78 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2roq n ALA 16 N -0.05 1.32 0.00 3.14 0.00 -1.26 -5.04 120.51 118.63 2roq n ALA 16 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.35 2roq n ALA 16 Cb 0.37 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 1.86 0.10 0.00 0.00 -1.26 -4.88 105.19 102.55 2roq n GLY 17 Ca -0.51 -0.33 -0.00 0.00 0.00 0.00 0.00 46.02 45.18 2roq n GLY 17 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2roq h SER 18 N 0.00 0.00 1.00 1.61 0.02 -1.98 -3.34 113.55 110.86 2roq h SER 18 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 2roq h SER 18 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2roq h SER 18 CO 0.00 0.61 -1.07 1.05 -1.14 0.00 0.00 176.83 176.28 2roq h GLU 19 N 0.00 0.00 -0.76 3.45 -0.00 -1.93 -3.35 114.58 112.00 2roq h GLU 19 Ca -0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.20 2roq h GLU 19 Cb 1.57 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.29 2roq h GLU 19 CO 0.06 0.33 0.34 1.15 -0.00 0.00 0.00 179.01 180.89 2roq h THR 20 N 0.00 1.25 0.00 -1.06 2.02 -1.89 -1.16 112.91 112.07 2roq h THR 20 Ca -0.10 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 2roq h THR 20 Cb 1.46 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2roq h THR 20 CO 0.05 0.30 -0.24 0.16 0.37 0.00 0.00 175.52 176.16 2roq h ILE 21 N 1.08 0.95 0.10 3.11 3.07 -1.69 -2.23 117.51 121.90 2roq h ILE 21 Ca 0.26 -0.91 -0.01 0.00 1.55 0.00 0.00 64.86 65.75 2roq h ILE 21 Cb 0.15 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 2roq h ILE 21 CO -0.03 0.24 -0.05 0.40 -1.05 0.00 0.00 178.15 177.66 2roq h ILE 22 N 0.00 0.53 -0.97 0.16 2.04 -1.53 -2.26 117.51 115.49 2roq h ILE 22 Ca -0.00 -1.21 0.17 0.00 1.00 0.00 0.00 64.86 64.82 2roq h ILE 22 Cb 0.50 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 37.46 2roq h ILE 22 CO 0.03 0.16 0.61 0.00 0.00 0.00 0.00 178.15 178.96 2roq h ALA 23 N -0.67 1.78 -0.04 1.87 0.00 -1.24 0.35 119.26 121.31 2roq h ALA 23 Ca -0.01 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2roq h ALA 23 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2roq h ALA 23 CO 0.02 -0.10 -0.71 0.00 0.00 0.00 0.00 179.25 178.47 2roq h ALA 24 N 1.61 0.73 0.00 0.00 0.00 -1.50 -2.28 119.26 117.82 2roq h ALA 24 Ca 0.52 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2roq h ALA 24 Cb 0.86 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2roq h ALA 24 CO -0.29 0.80 -0.43 0.00 0.00 0.00 0.00 179.25 179.34 2roq h ALA 25 N 1.12 0.78 0.04 0.00 0.00 -0.21 -2.17 119.26 118.81 2roq h ALA 25 Ca -0.02 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2roq h ALA 25 Cb 1.26 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2roq h ALA 25 CO 0.11 0.53 -0.26 0.74 0.00 0.00 0.00 179.25 180.37 2roq h PHE 26 N 0.00 0.18 0.00 0.00 0.04 -0.35 -2.15 116.94 114.66 2roq h PHE 26 Ca -0.00 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.60 2roq h PHE 26 Cb 1.21 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.34 2roq h PHE 26 CO 0.00 1.07 -0.16 0.66 -0.60 0.00 0.00 178.31 179.27 2roq h SER 27 N -0.75 0.00 0.69 2.17 4.64 -1.50 0.26 113.55 119.07 2roq h SER 27 Ca -0.04 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.02 2roq h SER 27 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 2roq h SER 27 CO 0.05 0.16 -1.36 0.28 -0.87 0.00 0.00 176.83 175.09 2roq h SER 28 N 0.00 0.11 0.82 4.97 0.02 -1.47 0.21 113.55 118.21 2roq h SER 28 Ca -0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2roq h SER 28 Cb 0.71 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2roq h SER 28 CO 0.02 1.13 -1.18 0.18 -1.14 0.00 0.00 176.83 175.84 2roq n LEU 29 N -3.29 0.70 -0.29 5.07 4.77 -0.81 -4.06 117.00 119.09 2roq n LEU 29 Ca -0.10 0.27 0.04 0.00 -0.03 0.00 0.00 56.01 56.19 2roq n LEU 29 Cb 1.00 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 42.07 2roq n LEU 29 CO 0.47 -0.16 0.35 0.18 -1.33 0.00 0.00 177.39 176.91 2roq n LEU 30 N -2.60 1.56 -2.59 2.23 4.77 0.90 -4.90 117.00 116.36 2roq n LEU 30 Ca -0.01 -0.96 -0.12 0.00 -0.03 0.00 0.00 56.01 54.88 2roq n LEU 30 Cb 0.55 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2roq n LEU 30 CO 0.41 0.31 -0.12 0.61 -1.33 0.00 0.00 177.39 177.28 2roq n GLY 31 N 0.50 -0.50 0.00 -0.72 0.00 0.70 -4.92 105.19 100.25 2roq n GLY 31 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.06 3.77 -4.55 0.00 8.00 -1.26 -4.49 116.55 116.96 2roq n ASP 33 Ca 0.00 -3.66 -0.36 0.00 0.71 0.00 0.00 54.79 51.49 2roq n ASP 33 Cb 0.00 -0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.26 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2roq s VAL 34 N -3.40 3.08 -0.16 2.53 1.01 -1.26 -4.70 120.40 117.48 2roq s VAL 34 Ca 0.55 0.04 0.24 0.00 0.00 0.00 0.00 61.98 62.80 2roq s VAL 34 Cb 0.47 -3.20 0.47 0.00 0.00 0.00 0.00 36.38 34.12 2roq s VAL 34 CO 0.08 -0.20 1.14 0.00 0.00 0.00 0.00 175.10 176.12 2roq n GLN 35 N 9.04 1.07 -1.15 2.72 10.64 -1.26 -3.99 117.38 134.45 2roq n GLN 35 Ca 0.34 -2.88 0.00 0.00 -1.83 0.00 0.00 57.00 52.63 2roq n GLN 35 Cb 0.54 -0.95 0.00 0.00 -0.86 0.00 0.00 30.24 28.97 2roq n GLN 35 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2roq n ASP 36 N -0.21 0.44 0.00 2.61 2.03 -1.26 -4.41 116.55 115.75 2roq n ASP 36 Ca 0.06 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.43 2roq n ASP 36 Cb 0.93 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.33 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ALA 37 N -3.00 1.71 -2.20 -1.67 0.00 -1.24 -4.62 120.51 109.48 2roq n ALA 37 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 2roq n ALA 37 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2roq n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2roq n ASP 38 N -0.05 2.20 -4.80 0.00 5.75 -1.21 -1.24 116.55 117.20 2roq n ASP 38 Ca 0.00 -2.95 -0.37 0.00 -0.01 0.00 0.00 54.79 51.46 2roq n ASP 38 Cb 0.11 -0.41 -0.06 0.00 -1.03 0.00 0.00 41.12 39.73 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2roq s ALA 39 N -2.54 3.36 -0.24 2.12 0.00 -1.26 -4.84 121.76 118.36 2roq s ALA 39 Ca 0.37 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 2roq s ALA 39 Cb 0.37 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2roq s ALA 39 CO -0.07 0.29 0.09 -0.51 0.00 0.00 0.00 175.76 175.55 2roq s ASP 40 N -1.61 5.33 0.24 0.00 1.11 -1.26 -2.97 116.67 117.52 2roq s ASP 40 Ca 0.44 -0.13 -0.07 0.00 0.18 0.00 0.00 52.55 52.97 2roq s ASP 40 Cb -0.18 -1.96 0.42 0.00 1.07 0.00 0.00 42.92 42.28 2roq s ASP 40 CO 0.22 -0.00 1.64 0.15 1.18 0.00 0.00 175.17 178.35 2roq h PHE 41 N 8.00 -0.06 0.04 4.23 3.04 -1.86 0.20 116.94 130.53 2roq h PHE 41 Ca -0.37 0.06 0.01 0.00 3.98 0.00 0.00 57.97 61.64 2roq h PHE 41 Cb 1.18 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.80 2roq h PHE 41 CO 0.67 -0.24 -0.31 0.74 -2.02 0.00 0.00 178.31 177.15 2roq h PHE 42 N 0.10 -0.89 0.00 0.41 0.04 -1.83 0.48 116.94 115.25 2roq h PHE 42 Ca 0.41 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.20 2roq h PHE 42 Cb 0.71 0.38 0.00 0.00 2.20 0.00 0.00 35.95 39.24 2roq h PHE 42 CO -0.42 -0.34 0.00 0.00 -0.60 0.00 0.00 178.31 176.95 2roq h ALA 43 N -0.94 1.00 0.00 2.45 0.00 -1.66 0.08 119.26 120.19 2roq h ALA 43 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2roq h ALA 43 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2roq h ALA 43 CO -0.18 0.00 -0.51 -0.07 0.00 0.00 0.00 179.25 178.49 2roq h LEU 44 N 0.00 0.00 0.00 0.00 3.38 0.16 -3.45 115.31 115.39 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 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2roq h LEU 44 CO 0.00 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2roq n GLY 45 N 1.18 1.84 3.54 0.83 0.00 0.63 -4.94 105.19 108.26 2roq n GLY 45 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.36 -0.80 0.00 -0.02 0.00 0.13 -4.81 105.19 99.34 2roq n GLY 46 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.59 0.00 -1.15 1.61 -0.00 -1.26 -3.19 115.22 110.64 2roq n HIS 47 Ca 0.11 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.10 2roq n HIS 47 Cb 0.38 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.21 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq n ALA 48 N 0.00 5.85 0.00 1.57 0.00 -1.26 -2.72 120.51 123.95 2roq n ALA 48 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.26 2roq n ALA 48 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2roq n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 49 N 1.04 0.00 -0.07 0.00 4.77 -1.26 -4.34 117.00 117.14 2roq n LEU 49 Ca 0.38 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.22 2roq n LEU 49 Cb 0.62 0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.71 2roq n LEU 49 CO 0.28 -0.47 -1.03 0.00 -1.33 0.00 0.00 177.39 174.84 2roq n LEU 50 N -2.44 1.55 0.30 2.23 -0.00 -1.25 -3.90 117.00 113.49 2roq n LEU 50 Ca 0.00 0.08 0.16 0.00 -0.00 0.00 0.00 56.01 56.25 2roq n LEU 50 Cb 0.00 -0.28 0.94 0.00 -0.00 0.00 0.00 43.42 44.08 2roq n LEU 50 CO 0.00 0.68 1.12 0.00 -0.00 0.00 0.00 177.39 179.19 2roq h ALA 51 N 0.53 1.44 0.09 1.47 0.00 -1.86 0.59 119.26 121.51 2roq h ALA 51 Ca -0.49 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2roq h ALA 51 Cb 2.06 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.85 2roq h ALA 51 CO 0.01 0.01 -0.80 1.98 0.00 0.00 0.00 179.25 180.46 2roq h MET 52 N 0.00 0.19 -0.07 0.00 1.85 -1.76 -2.16 114.93 112.98 2roq h MET 52 Ca -0.00 -0.32 -0.08 0.00 -0.61 0.00 0.00 59.70 58.69 2roq h MET 52 Cb 0.03 0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 2roq h MET 52 CO 0.00 1.15 -0.32 0.87 -0.40 0.00 0.00 176.91 178.22 2roq h LYS 53 N -0.56 0.12 0.02 0.39 1.57 -1.57 -2.27 116.57 114.28 2roq h LYS 53 Ca -0.16 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2roq h LYS 53 Cb 1.49 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2roq h LYS 53 CO 0.06 0.43 -0.01 1.25 -0.57 0.00 0.00 179.45 180.61 2roq h LEU 54 N 0.11 -0.02 -0.90 2.94 6.46 -1.01 -2.10 115.31 120.79 2roq h LEU 54 Ca 0.01 -0.68 0.16 0.00 -0.12 0.00 0.00 57.88 57.26 2roq h LEU 54 Cb 0.62 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.46 2roq h LEU 54 CO 0.05 0.78 0.49 0.00 -0.62 0.00 0.00 178.44 179.14 2roq h ALA 55 N -0.21 1.41 0.00 1.25 0.00 -1.39 0.31 119.26 120.63 2roq h ALA 55 Ca -0.00 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 2roq h ALA 55 Cb 0.70 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2roq h ALA 55 CO 0.00 -0.08 -0.75 0.00 0.00 0.00 0.00 179.25 178.43 2roq h ALA 56 N 1.59 0.70 -0.15 0.00 0.00 -1.51 -2.17 119.26 117.70 2roq h ALA 56 Ca 0.50 -0.69 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 2roq h ALA 56 Cb 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2roq h ALA 56 CO -0.37 0.94 -0.70 0.37 0.00 0.00 0.00 179.25 179.49 2roq h GLN 57 N 0.00 0.65 -0.03 0.00 4.15 -0.13 -2.20 115.11 117.55 2roq h GLN 57 Ca -0.01 -0.50 -0.09 0.00 0.77 0.00 0.00 58.65 58.83 2roq h GLN 57 Cb 1.38 0.09 0.01 0.00 0.21 0.00 0.00 27.48 29.17 2roq h GLN 57 CO 0.10 1.12 -0.32 -0.07 -1.93 0.00 0.00 178.83 177.73 2roq h LEU 58 N 0.46 0.34 -1.50 -2.39 3.38 -0.53 -0.75 115.31 114.32 2roq h LEU 58 Ca -0.03 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 2roq h LEU 58 Cb 1.30 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2roq h LEU 58 CO 0.14 1.00 0.20 0.77 0.09 0.00 0.00 178.44 180.63 2roq h SER 59 N -0.30 0.48 1.32 -0.43 4.64 -1.46 0.30 113.55 118.09 2roq h SER 59 Ca -0.03 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 2roq h SER 59 Cb 1.02 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2roq h SER 59 CO 0.06 0.40 -0.71 0.08 -0.87 0.00 0.00 176.83 175.80 2roq h ARG 60 N 0.54 0.00 0.00 4.77 0.11 -1.42 -0.33 114.38 118.05 2roq h ARG 60 Ca 0.14 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.18 2roq h ARG 60 Cb 0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 2roq h ARG 60 CO -0.02 0.31 -0.72 1.96 0.10 0.00 0.00 179.97 181.60 2roq h GLN 61 N 0.00 0.00 -0.02 0.08 1.08 -0.19 -3.29 115.11 112.77 2roq h GLN 61 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2roq h GLN 61 Cb 1.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 2roq h GLN 61 CO 0.04 0.10 -0.28 1.33 -0.95 0.00 0.00 178.83 179.07 2roq n VAL 62 N -2.89 0.00 -1.71 -0.54 0.24 0.96 -4.96 118.33 109.43 2roq n VAL 62 Ca -0.00 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 61.79 2roq n VAL 62 Cb 0.61 1.29 -0.05 0.00 -1.47 0.00 0.00 33.84 34.22 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 0.31 -0.30 -4.65 2.33 0.00 -0.91 -4.97 120.51 112.32 2roq n ALA 63 Ca 0.09 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 2roq n ALA 63 Cb 0.44 -1.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 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 0.77 -3.87 0.00 3.00 -0.18 -5.02 116.66 108.84 2roq n ARG 64 Ca -0.16 -3.48 -0.33 0.00 -0.00 0.00 0.00 57.85 53.88 2roq n ARG 64 Cb 0.54 1.15 -0.13 0.00 0.00 0.00 0.00 32.46 34.02 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 -3.69 2.04 0.42 -0.14 -1.52 -1.26 -4.28 119.66 111.23 2roq s GLN 65 Ca 0.05 -2.29 -0.23 0.00 -1.95 0.00 0.00 55.36 50.94 2roq s GLN 65 Cb 0.00 -3.46 -0.09 0.00 -0.22 0.00 0.00 33.01 29.24 2roq s GLN 65 CO 0.03 -1.08 1.04 0.54 -0.25 0.00 0.00 175.29 175.57 2roq s VAL 66 N 0.30 3.79 0.28 1.09 0.11 -1.26 -5.04 120.40 119.67 2roq s VAL 66 Ca 0.14 1.28 -0.17 0.00 -2.93 0.00 0.00 61.98 60.31 2roq s VAL 66 Cb -0.22 -3.62 -0.09 0.00 -1.53 0.00 0.00 36.38 30.92 2roq s VAL 66 CO -0.03 -0.08 0.73 0.42 -3.33 0.00 0.00 175.10 172.80 2roq s THR 67 N -1.78 4.65 -0.00 5.04 -4.23 -1.26 -5.01 115.64 113.05 2roq s THR 67 Ca 0.61 1.06 -0.24 0.00 -1.18 0.00 0.00 61.69 61.93 2roq s THR 67 Cb -0.20 -3.70 -0.19 0.00 1.34 0.00 0.00 72.50 69.76 2roq s THR 67 CO 0.24 -0.04 1.29 1.55 -0.54 0.00 0.00 174.62 177.12 2roq h PRO 68 N 2.69 0.11 -0.35 3.99 0.13 -1.99 -3.09 132.00 133.49 2roq h PRO 68 Ca -0.48 -0.06 0.10 0.00 -0.87 0.00 0.00 66.00 64.70 2roq h PRO 68 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2roq h PRO 68 CO 0.65 0.57 0.51 0.78 -0.23 0.00 0.00 178.00 180.28 2roq h GLY 69 N -0.35 0.00 0.00 1.56 0.00 -2.02 -3.41 103.07 98.85 2roq h GLY 69 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2roq h GLY 69 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 2roq n GLN 70 N -3.40 2.30 0.00 4.80 6.02 -1.17 -4.36 117.38 121.57 2roq n GLN 70 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2roq n GLN 70 Cb 0.66 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.92 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2roq n VAL 71 N -0.01 0.00 -0.18 5.09 0.31 -1.26 -4.08 118.33 118.19 2roq n VAL 71 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2roq n VAL 71 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 2roq n VAL 71 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2roq h MET 72 N 0.00 1.02 -0.13 5.55 2.86 -1.82 -3.23 114.93 119.17 2roq h MET 72 Ca 0.00 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2roq h MET 72 Cb 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.60 2roq h MET 72 CO 0.00 1.07 0.00 1.33 1.06 0.00 0.00 176.91 180.37 2roq n VAL 73 N -4.16 0.91 0.07 -2.22 0.24 -1.26 -4.34 118.33 107.58 2roq n VAL 73 Ca 0.01 -0.96 -0.14 0.00 -2.04 0.00 0.00 64.34 61.22 2roq n VAL 73 Cb 0.41 0.55 -0.08 0.00 -1.47 0.00 0.00 33.84 33.25 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 0.82 -0.91 0.00 2.33 0.00 -1.80 -3.42 119.26 116.28 2roq h ALA 74 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2roq h ALA 74 Cb 0.56 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2roq h ALA 74 CO 0.00 -1.04 0.00 0.43 0.00 0.00 0.00 179.25 178.64 2roq n SER 75 N -5.02 0.00 -1.65 0.00 7.64 -1.26 -4.60 113.62 108.73 2roq n SER 75 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2roq n SER 75 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 0.29 0.44 5.66 -1.26 -4.80 114.28 114.61 2roq n THR 76 Ca 0.00 -0.06 -0.13 0.00 -3.05 0.00 0.00 64.05 60.80 2roq n THR 76 Cb 0.00 0.15 -0.07 0.00 -1.55 0.00 0.00 70.33 68.87 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 1.24 0.00 -0.76 1.08 2.07 -1.62 0.28 116.25 118.54 2roq h VAL 77 Ca -0.06 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.62 2roq h VAL 77 Cb 0.29 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.95 2roq h VAL 77 CO 0.08 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.91 2roq h ALA 78 N -1.41 1.03 -0.58 1.67 0.00 -1.49 0.10 119.26 118.59 2roq h ALA 78 Ca -0.07 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2roq h ALA 78 Cb 0.65 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2roq h ALA 78 CO 0.07 -0.30 0.13 0.87 0.00 0.00 0.00 179.25 180.02 2roq h LYS 79 N 0.34 0.90 -0.91 0.00 1.79 -1.78 -2.07 116.57 114.83 2roq h LYS 79 Ca 0.43 -0.20 0.04 0.00 -2.18 0.00 0.00 60.65 58.74 2roq h LYS 79 Cb 0.72 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 31.18 2roq h LYS 79 CO -0.48 0.81 0.59 -0.07 -1.08 0.00 0.00 179.45 179.22 2roq h LEU 80 N 0.86 0.97 -0.48 2.94 -0.00 0.21 0.44 115.31 120.25 2roq h LEU 80 Ca 0.19 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 2roq h LEU 80 Cb 0.33 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2roq h LEU 80 CO 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 178.44 179.10 2roq h ALA 81 N 1.38 1.00 0.00 1.53 0.00 -1.08 -2.19 119.26 119.90 2roq h ALA 81 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2roq h ALA 81 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2roq h ALA 81 CO -0.13 0.00 -0.60 1.15 0.00 0.00 0.00 179.25 179.67 2roq h THR 82 N 0.00 0.00 0.00 0.00 2.02 -0.45 -2.20 112.91 112.28 2roq h THR 82 Ca 0.00 -0.54 -0.34 0.00 0.77 0.00 0.00 66.41 66.30 2roq h THR 82 Cb 0.83 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 2roq h THR 82 CO 0.00 0.00 -2.27 2.30 0.37 0.00 0.00 175.52 175.92 2roq n ILE 83 N -2.19 1.37 -0.02 3.11 -5.35 -0.00 -0.07 119.36 116.21 2roq n ILE 83 Ca 0.03 -0.84 -0.11 0.00 -0.27 0.00 0.00 62.75 61.57 2roq n ILE 83 Cb 0.45 -0.53 -0.14 0.00 -1.74 0.00 0.00 39.64 37.68 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 -2.78 1.63 -0.11 7.28 -5.35 -0.84 -2.61 119.36 116.59 2roq n ILE 84 Ca -0.29 -0.77 -0.25 0.00 -0.27 0.00 0.00 62.75 61.16 2roq n ILE 84 Cb 1.12 -1.14 -0.11 0.00 -1.74 0.00 0.00 39.64 37.77 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 -3.11 1.92 -0.05 7.28 2.03 -0.83 -4.66 116.55 119.13 2roq n ASP 85 Ca -0.20 0.36 -0.21 0.00 0.52 0.00 0.00 54.79 55.25 2roq n ASP 85 Cb 1.06 -0.88 -0.13 0.00 -0.72 0.00 0.00 41.12 40.45 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq h ALA 86 N -0.64 0.27 -3.93 -1.67 0.00 -1.59 -3.48 119.26 108.22 2roq h ALA 86 Ca -0.50 -1.20 -0.25 0.00 0.00 0.00 0.00 54.91 52.95 2roq h ALA 86 Cb 1.49 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 2roq h ALA 86 CO -0.28 0.86 -0.33 -1.91 0.00 0.00 0.00 179.25 177.59 2roq n GLU 87 N -4.07 -2.33 0.00 0.00 2.13 0.89 -4.84 120.64 112.42 2roq n GLU 87 Ca -0.29 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2roq n GLU 87 Cb 0.82 -5.20 0.00 0.00 0.27 0.00 0.00 31.44 27.33 2roq n GLU 87 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2roq n GLU 88 N -2.87 0.00 -0.73 5.31 -0.58 -1.25 -5.02 120.64 115.50 2roq n GLU 88 Ca -0.14 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.27 2roq n GLU 88 Cb 0.61 -0.41 0.15 0.00 -0.57 0.00 0.00 31.44 31.21 2roq n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2roq n ASP 89 N -2.36 -2.33 -0.01 1.62 8.00 -1.26 -5.00 116.55 115.21 2roq n ASP 89 Ca 0.00 0.07 -0.01 0.00 0.71 0.00 0.00 54.79 55.56 2roq n ASP 89 Cb 0.00 -1.05 -0.00 0.00 -0.02 0.00 0.00 41.12 40.05 2roq n ASP 89 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2roq n SER 90 N -1.37 0.20 -3.66 -2.24 7.64 -1.26 -4.95 113.62 107.98 2roq n SER 90 Ca 0.03 0.17 -0.05 0.00 1.01 0.00 0.00 58.87 60.03 2roq n SER 90 Cb 0.59 -0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 63.24 2roq n SER 90 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2roq s THR 91 N -1.17 0.00 -0.11 0.44 -4.23 -1.26 -5.05 115.64 104.26 2roq s THR 91 Ca -0.02 -0.40 -0.13 0.00 -1.18 0.00 0.00 61.69 59.96 2roq s THR 91 Cb 0.00 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 2roq s THR 91 CO 0.03 0.00 -0.25 0.54 -0.54 0.00 0.00 174.62 174.40 2roq n ARG 92 N -0.39 0.38 -3.24 3.99 5.12 -1.26 -5.01 116.66 116.25 2roq n ARG 92 Ca -0.07 0.15 -0.04 0.00 -1.93 0.00 0.00 57.85 55.97 2roq n ARG 92 Cb 0.61 -1.16 -0.03 0.00 -1.16 0.00 0.00 32.46 30.72 2roq n ARG 92 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2roq s ARG 93 N -2.59 0.55 0.23 5.56 0.52 -1.26 -5.15 118.95 116.80 2roq s ARG 93 Ca -0.21 0.12 -0.12 0.00 -0.52 0.00 0.00 55.73 55.00 2roq s ARG 93 Cb 0.03 -0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.41 2roq s ARG 93 CO 0.31 -1.08 0.42 0.00 0.02 0.00 0.00 175.30 174.97 2roq s MET 94 N 2.42 1.45 -0.35 3.54 0.23 -1.26 -4.82 119.30 120.51 2roq s MET 94 Ca 0.11 -1.25 0.03 0.00 -1.03 0.00 0.00 55.69 53.55 2roq s MET 94 Cb -0.10 0.44 0.10 0.00 -1.53 0.00 0.00 34.83 33.74 2roq s MET 94 CO -0.22 -0.59 0.09 0.20 -2.03 0.00 0.00 175.02 172.47 2roq s GLY 95 N -3.01 1.74 -0.07 3.16 0.00 -1.26 -4.92 107.32 102.96 2roq s GLY 95 Ca 0.22 -2.37 0.13 0.00 0.00 0.00 0.00 44.72 42.69 2roq s GLY 95 CO 0.07 1.15 1.35 0.33 0.00 0.00 0.00 173.10 176.00 2roq n PHE 96 N 4.28 0.97 -3.37 1.90 7.35 -1.26 -4.32 117.46 123.01 2roq n PHE 96 Ca 0.03 -0.39 0.00 0.00 -0.76 0.00 0.00 57.45 56.32 2roq n PHE 96 Cb 0.41 -0.16 0.00 0.00 0.35 0.00 0.00 39.48 40.08 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 0.72 2.67 -0.23 -4.13 1.02 -1.26 -4.98 120.64 114.45 2roq n GLU 97 Ca 0.17 0.00 0.31 0.00 -0.02 0.00 0.00 57.16 57.62 2roq n GLU 97 Cb 0.61 0.00 0.73 0.00 -0.02 0.00 0.00 31.44 32.76 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 0.45 0.46 -3.30 2.62 2.02 -1.91 -3.38 112.91 109.87 2roq h THR 98 Ca 0.00 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.55 2roq h THR 98 Cb 0.00 0.48 -0.19 0.00 -1.74 0.00 0.00 68.15 66.70 2roq h THR 98 CO 0.00 0.00 -0.63 -0.63 0.37 0.00 0.00 175.52 174.63 2roq s ILE 99 N -4.92 4.23 -0.30 3.11 -1.09 -1.26 -1.50 121.20 119.47 2roq s ILE 99 Ca -0.05 -0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.11 2roq s ILE 99 Cb 0.22 -2.87 0.10 0.00 -1.58 0.00 0.00 42.46 38.33 2roq s ILE 99 CO 0.76 0.49 0.11 -0.22 -1.23 0.00 0.00 174.94 174.85 2roq s LEU 100 N 0.28 1.59 0.04 2.97 1.98 -1.22 -4.25 118.68 120.06 2roq s LEU 100 Ca -0.01 -1.49 -0.30 0.00 -2.89 0.00 0.00 54.13 49.44 2roq s LEU 100 Cb -0.13 -0.67 -0.06 0.00 0.66 0.00 0.00 46.19 45.98 2roq s LEU 100 CO 0.02 -0.42 1.42 -2.16 -1.89 0.00 0.00 176.35 173.32 2roq s PRO 101 N 1.80 4.29 0.10 0.98 0.04 -1.26 -3.87 135.00 137.08 2roq s PRO 101 Ca 0.09 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.25 2roq s PRO 101 Cb -0.17 -3.50 -0.19 0.00 0.04 0.00 0.00 34.50 30.69 2roq s PRO 101 CO -0.29 -0.55 1.18 -0.07 0.04 0.00 0.00 177.00 177.30 2roq h LEU 102 N 7.98 0.00 -6.00 -3.56 3.38 -1.78 -3.44 115.31 111.89 2roq h LEU 102 Ca -0.39 0.00 0.29 0.00 0.09 0.00 0.00 57.88 57.86 2roq h LEU 102 Cb 1.19 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.74 2roq h LEU 102 CO 0.89 0.95 0.23 -0.60 0.09 0.00 0.00 178.44 180.00 2roq s ARG 103 N -2.72 0.04 -0.12 1.13 6.06 -0.80 -4.71 118.95 117.84 2roq s ARG 103 Ca 0.00 0.06 -0.01 0.00 -2.50 0.00 0.00 55.73 53.29 2roq s ARG 103 Cb 0.09 0.03 0.03 0.00 0.06 0.00 0.00 34.95 35.17 2roq s ARG 103 CO 0.81 -0.05 -0.06 -2.00 -2.50 0.00 0.00 175.30 171.50 2roq s GLU 104 N 2.99 1.36 0.00 5.12 -6.30 -1.26 0.07 118.70 120.68 2roq s GLU 104 Ca 0.02 -0.28 0.00 0.00 -2.50 0.00 0.00 54.97 52.21 2roq s GLU 104 Cb -0.06 -1.63 0.00 0.00 0.00 0.00 0.00 34.13 32.44 2roq s GLU 104 CO -0.11 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.25 2roq n GLY 105 N 4.96 0.11 0.00 -1.50 0.00 -1.26 -5.05 105.19 102.44 2roq n GLY 105 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.05 115.26 114.69 2roq n ASN 106 Ca 0.00 0.50 0.00 0.00 1.68 0.00 0.00 54.58 56.76 2roq n ASN 106 Cb 0.00 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 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 0.16 -1.78 3.58 7.41 0.00 -1.26 -4.98 105.19 108.31 2roq n GLY 107 Ca 0.00 0.66 -0.41 0.00 0.00 0.00 0.00 46.02 46.27 2roq n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 108 N 0.00 3.06 -0.39 1.61 0.04 -1.26 -4.73 135.00 133.33 2roq s PRO 108 Ca 0.00 1.00 -0.23 0.00 0.04 0.00 0.00 61.00 61.81 2roq s PRO 108 Cb 0.00 -4.26 0.01 0.00 0.04 0.00 0.00 34.50 30.30 2roq s PRO 108 CO 0.00 -2.20 0.76 -0.08 0.04 0.00 0.00 177.00 175.52 2roq s THR 109 N 7.62 4.73 -0.20 1.26 -1.32 -1.25 -1.87 115.64 124.62 2roq s THR 109 Ca 0.71 0.71 -0.29 0.00 -1.21 0.00 0.00 61.69 61.61 2roq s THR 109 Cb -0.17 -4.22 -0.02 0.00 -1.51 0.00 0.00 72.50 66.58 2roq s THR 109 CO 0.28 -0.50 1.37 -0.22 -2.21 0.00 0.00 174.62 173.34 2roq s LEU 110 N 3.09 4.07 -0.76 9.08 0.20 0.11 -4.82 118.68 129.65 2roq s LEU 110 Ca 0.30 1.61 -0.26 0.00 0.69 0.00 0.00 54.13 56.47 2roq s LEU 110 Cb -0.13 -3.54 0.04 0.00 -0.43 0.00 0.00 46.19 42.13 2roq s LEU 110 CO 0.18 -0.95 1.25 -0.36 -0.29 0.00 0.00 176.35 176.19 2roq s PHE 111 N 4.07 2.38 -0.69 5.38 0.08 -1.12 -0.88 117.98 127.19 2roq s PHE 111 Ca 0.60 -0.23 -0.22 0.00 0.12 0.00 0.00 56.93 57.20 2roq s PHE 111 Cb -0.22 -4.58 0.08 0.00 -0.57 0.00 0.00 43.02 37.73 2roq s PHE 111 CO 0.21 -1.99 0.96 0.00 -0.10 0.00 0.00 175.22 174.30 2roq s PHE 113 N 3.71 2.77 -0.30 0.00 5.36 -1.16 -2.65 117.98 125.72 2roq s PHE 113 Ca 0.23 -0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 2roq s PHE 113 Cb -0.16 -2.04 -0.02 0.00 -0.34 0.00 0.00 43.02 40.46 2roq s PHE 113 CO 0.07 -0.01 0.26 0.72 -1.46 0.00 0.00 175.22 174.79 2roq n HIS 114 N -1.48 -0.67 -2.26 10.12 8.25 -1.26 -4.19 115.22 123.72 2roq n HIS 114 Ca 0.02 0.24 -0.38 0.00 -0.26 0.00 0.00 57.72 57.34 2roq n HIS 114 Cb 0.61 -2.93 -0.01 0.00 1.12 0.00 0.00 29.99 28.78 2roq n HIS 114 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2roq s PRO 115 N -3.59 3.90 0.25 -0.41 0.04 -1.26 -3.83 135.00 130.09 2roq s PRO 115 Ca 0.10 1.83 0.06 0.00 0.04 0.00 0.00 61.00 63.03 2roq s PRO 115 Cb -0.01 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 2roq s PRO 115 CO 0.20 -0.45 -0.07 0.00 0.04 0.00 0.00 177.00 176.73 2roq s ALA 116 N -1.47 2.12 -0.78 8.56 0.00 -1.26 -4.72 121.76 124.20 2roq s ALA 116 Ca 0.60 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2roq s ALA 116 Cb -0.30 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2roq s ALA 116 CO 0.37 -0.08 0.00 -1.13 0.00 0.00 0.00 175.76 174.92 2roq n SER 117 N -0.49 -5.07 0.00 0.00 3.41 -1.26 -3.65 113.62 106.56 2roq n SER 117 Ca -0.06 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2roq n SER 117 Cb 0.63 -3.22 0.00 0.00 -0.26 0.00 0.00 64.21 61.36 2roq n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2roq n GLY 118 N -0.51 1.97 3.74 5.00 0.00 -1.26 -4.78 105.19 109.35 2roq n GLY 118 Ca -0.07 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 2roq n GLY 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2roq s PHE 119 N 0.00 2.44 -0.32 1.61 -0.71 -1.24 -4.56 117.98 115.20 2roq s PHE 119 Ca 0.00 -0.66 0.09 0.00 -1.04 0.00 0.00 56.93 55.33 2roq s PHE 119 Cb 0.00 -1.90 0.46 0.00 -1.21 0.00 0.00 43.02 40.37 2roq s PHE 119 CO 0.00 0.17 1.15 0.00 -1.34 0.00 0.00 175.22 175.20 2roq n ALA 120 N -1.25 4.61 0.81 1.99 0.00 -1.26 -4.41 120.51 120.99 2roq n ALA 120 Ca -0.03 -3.71 0.13 0.00 0.00 0.00 0.00 53.44 49.82 2roq n ALA 120 Cb 0.65 -0.47 0.42 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.62 0.40 -0.99 0.00 8.01 -1.26 -3.35 117.44 119.63 2roq n TRP 121 Ca 0.36 0.12 -0.00 0.00 -1.31 0.00 0.00 57.50 56.66 2roq n TRP 121 Cb 0.88 -0.64 0.35 0.00 -2.01 0.00 0.00 31.31 29.89 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 -1.85 4.23 -0.32 -0.99 0.00 -1.19 -3.48 117.38 113.78 2roq n GLN 122 Ca 0.06 -3.13 0.05 0.00 -0.00 0.00 0.00 57.00 53.98 2roq n GLN 122 Cb 0.39 -2.24 0.19 0.00 0.00 0.00 0.00 30.24 28.58 2roq n GLN 122 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2roq n PHE 123 N 0.16 0.78 0.27 3.69 -0.00 -1.21 -4.17 117.46 116.98 2roq n PHE 123 Ca 0.35 -0.32 0.12 0.00 -0.00 0.00 0.00 57.45 57.61 2roq n PHE 123 Cb 1.31 -0.14 0.76 0.00 -0.00 0.00 0.00 39.48 41.41 2roq n PHE 123 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2roq h SER 124 N 2.22 0.00 -0.89 -2.13 4.64 -1.76 -1.91 113.55 113.72 2roq h SER 124 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2roq h SER 124 Cb 0.86 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.90 2roq h SER 124 CO 0.12 0.07 0.58 1.62 -0.87 0.00 0.00 176.83 178.34 2roq h VAL 125 N 0.00 1.16 0.20 0.95 3.04 -1.91 0.25 116.25 119.94 2roq h VAL 125 Ca -0.00 -0.39 -0.34 0.00 -1.01 0.00 0.00 66.70 64.96 2roq h VAL 125 Cb 0.17 -0.07 0.02 0.00 -2.01 0.00 0.00 31.29 29.40 2roq h VAL 125 CO 0.01 0.21 -1.62 0.25 -1.01 0.00 0.00 177.57 175.40 2roq h LEU 126 N 1.13 0.67 -1.71 3.16 5.85 -1.75 -2.20 115.31 120.46 2roq h LEU 126 Ca 0.35 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2roq h LEU 126 Cb -0.02 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.79 2roq h LEU 126 CO -0.11 1.71 0.00 -1.28 -0.34 0.00 0.00 178.44 178.42 2roq h SER 127 N 0.12 0.00 0.12 1.25 0.87 -1.17 0.27 113.55 115.01 2roq h SER 127 Ca -0.30 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 59.90 2roq h SER 127 Cb 2.11 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 64.02 2roq h SER 127 CO 0.21 0.00 -2.22 -1.14 -0.53 0.00 0.00 176.83 173.16 2roq n ARG 128 N -2.96 0.68 0.10 2.24 0.63 0.85 -3.95 116.66 114.25 2roq n ARG 128 Ca -0.00 0.14 -0.23 0.00 -0.92 0.00 0.00 57.85 56.84 2roq n ARG 128 Cb 0.23 -1.60 -0.15 0.00 0.45 0.00 0.00 32.46 31.39 2roq n ARG 128 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 2roq h TYR 129 N 0.01 0.83 0.00 -0.14 5.03 -1.16 -3.40 116.97 118.15 2roq h TYR 129 Ca -0.48 -0.58 0.00 0.00 2.58 0.00 0.00 58.73 60.24 2roq h TYR 129 Cb 2.08 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 40.31 2roq h TYR 129 CO 0.02 1.45 0.00 1.28 -1.32 0.00 0.00 178.16 179.59 2roq n LEU 130 N -3.89 0.00 0.00 2.82 7.99 0.95 -4.93 117.00 119.93 2roq n LEU 130 Ca -0.15 0.63 0.00 0.00 -0.01 0.00 0.00 56.01 56.48 2roq n LEU 130 Cb 0.97 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 44.15 2roq n LEU 130 CO 0.56 -0.13 0.00 0.47 -1.51 0.00 0.00 177.39 176.78 2roq n ASP 131 N -1.03 0.00 0.00 -1.43 8.00 -1.26 -5.01 116.55 115.82 2roq n ASP 131 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 2roq n ASP 131 Cb 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.46 2roq n ASP 131 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2roq n PRO 132 N 0.00 0.16 -0.00 -0.24 -0.04 -1.25 -2.34 135.00 131.29 2roq n PRO 132 Ca 0.00 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 2roq n PRO 132 Cb 0.00 -1.50 0.80 0.00 -0.04 0.00 0.00 33.50 32.76 2roq n PRO 132 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2roq n GLN 133 N -1.34 1.14 -1.90 0.54 7.27 -1.26 -4.85 117.38 116.99 2roq n GLN 133 Ca 0.06 -0.20 0.00 0.00 0.07 0.00 0.00 57.00 56.93 2roq n GLN 133 Cb 0.13 -1.46 0.00 0.00 2.41 0.00 0.00 30.24 31.32 2roq n GLN 133 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2roq n TRP 134 N -0.73 0.00 -4.23 3.69 5.03 -0.99 -4.65 117.44 115.57 2roq n TRP 134 Ca 0.21 0.00 -0.28 0.00 3.03 0.00 0.00 57.50 60.47 2roq n TRP 134 Cb 0.15 0.00 -0.09 0.00 -1.03 0.00 0.00 31.31 30.34 2roq n TRP 134 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 2roq s SER 135 N -0.90 4.56 -0.15 -0.99 0.01 -0.78 -4.60 113.70 110.85 2roq s SER 135 Ca 0.00 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 2roq s SER 135 Cb 0.00 -0.91 0.06 0.00 0.21 0.00 0.00 66.02 65.38 2roq s SER 135 CO 0.00 0.12 0.36 -0.63 0.41 0.00 0.00 173.24 173.51 2roq s ILE 136 N -1.56 -0.04 -0.08 1.44 1.01 0.11 0.05 121.20 122.14 2roq s ILE 136 Ca 0.25 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 2roq s ILE 136 Cb -0.10 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.86 2roq s ILE 136 CO 0.16 0.05 0.19 0.27 0.00 0.00 0.00 174.94 175.61 2roq s ILE 137 N 1.39 -0.03 0.02 2.92 -4.36 -0.06 -1.90 121.20 119.18 2roq s ILE 137 Ca -0.09 0.10 0.07 0.00 -0.26 0.00 0.00 60.65 60.46 2roq s ILE 137 Cb -0.09 -0.30 -0.02 0.00 1.25 0.00 0.00 42.46 43.30 2roq s ILE 137 CO -0.12 0.04 -0.20 -0.83 0.24 0.00 0.00 174.94 174.08 2roq s GLY 138 N 0.77 1.03 -0.83 6.27 0.00 -1.25 -0.58 107.32 112.74 2roq s GLY 138 Ca -0.06 -0.96 -0.25 0.00 0.00 0.00 0.00 44.72 43.45 2roq s GLY 138 CO -0.04 -0.86 1.52 -0.42 0.00 0.00 0.00 173.10 173.29 2roq s ILE 139 N -0.67 3.68 0.13 0.90 -1.09 -1.08 -3.42 121.20 119.65 2roq s ILE 139 Ca 0.07 -0.09 -0.14 0.00 -2.23 0.00 0.00 60.65 58.27 2roq s ILE 139 Cb -0.08 -4.68 0.02 0.00 -1.58 0.00 0.00 42.46 36.14 2roq s ILE 139 CO 0.01 -1.61 0.35 0.00 -1.23 0.00 0.00 174.94 172.47 2roq s GLN 140 N 5.89 1.08 0.05 2.79 1.03 -0.56 -4.64 119.66 125.30 2roq s GLN 140 Ca 0.48 -0.85 -0.27 0.00 0.04 0.00 0.00 55.36 54.76 2roq s GLN 140 Cb -0.06 0.44 0.09 0.00 0.03 0.00 0.00 33.01 33.50 2roq s GLN 140 CO 0.06 -0.41 0.81 -1.54 -2.54 0.00 0.00 175.29 171.68 2roq s SER 141 N -2.85 -0.40 0.28 12.60 1.04 -1.26 -3.80 113.70 119.31 2roq s SER 141 Ca 0.06 -0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.16 2roq s SER 141 Cb 0.02 0.45 -0.10 0.00 0.10 0.00 0.00 66.02 66.50 2roq s SER 141 CO -0.09 -0.74 1.25 -2.16 0.98 0.00 0.00 173.24 172.48 2roq s PRO 142 N -3.31 4.44 -0.35 4.02 0.04 -1.26 -4.66 135.00 133.92 2roq s PRO 142 Ca 0.05 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2roq s PRO 142 Cb -0.01 -3.14 0.11 0.00 0.04 0.00 0.00 34.50 31.51 2roq s PRO 142 CO -0.09 -0.10 0.15 1.03 0.04 0.00 0.00 177.00 178.03 2roq s ARG 143 N -1.23 0.88 0.04 4.56 1.81 -1.26 -4.99 118.95 118.76 2roq s ARG 143 Ca 0.50 -1.39 -0.20 0.00 -1.72 0.00 0.00 55.73 52.92 2roq s ARG 143 Cb -0.37 -2.05 -0.14 0.00 -0.45 0.00 0.00 34.95 31.94 2roq s ARG 143 CO 0.46 -1.06 1.35 -1.00 -0.68 0.00 0.00 175.30 174.37 2roq h PRO 144 N 7.58 0.38 0.00 3.54 0.13 -1.95 -3.39 132.00 138.29 2roq h PRO 144 Ca -0.08 -0.20 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2roq h PRO 144 Cb 0.98 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2roq h PRO 144 CO 0.46 0.76 -1.13 -1.71 -0.23 0.00 0.00 178.00 176.15 2roq n ASN 145 N -4.53 4.48 -2.68 1.44 4.05 -1.26 -4.52 115.26 112.24 2roq n ASN 145 Ca -0.06 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 54.95 2roq n ASN 145 Cb 0.37 0.75 0.00 0.00 1.23 0.00 0.00 39.78 42.13 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2roq n GLY 146 N 2.69 -1.08 0.06 8.20 0.00 -1.26 -4.97 105.19 108.83 2roq n GLY 146 Ca -0.02 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 2roq n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2roq h PRO 147 N 0.69 -0.00 -0.00 1.61 0.13 -1.98 -3.29 132.00 129.16 2roq h PRO 147 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2roq h PRO 147 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2roq h PRO 147 CO 0.21 0.49 -0.62 -1.33 -0.23 0.00 0.00 178.00 176.52 2roq n MET 148 N -4.86 0.41 0.02 0.86 2.81 -1.26 -4.03 117.12 111.07 2roq n MET 148 Ca -0.08 -0.30 0.08 0.00 -1.81 0.00 0.00 57.70 55.58 2roq n MET 148 Cb 0.25 -1.49 0.34 0.00 -0.71 0.00 0.00 33.22 31.61 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 -1.04 0.03 0.35 0.03 1.13 -1.24 -0.13 117.38 116.52 2roq n GLN 149 Ca 0.07 0.27 -0.14 0.00 -1.94 0.00 0.00 57.00 55.25 2roq n GLN 149 Cb 0.36 -1.55 -0.07 0.00 0.11 0.00 0.00 30.24 29.09 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2roq h THR 150 N 0.00 0.00 0.00 5.09 1.35 -1.70 -3.38 112.91 114.27 2roq h THR 150 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2roq h THR 150 Cb 0.27 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 2roq h THR 150 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2roq n ALA 151 N -2.50 0.47 -0.05 6.62 0.00 -1.23 -4.77 120.51 119.05 2roq n ALA 151 Ca -0.11 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.30 2roq n ALA 151 Cb 0.37 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.07 2roq n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 152 N -0.01 2.37 0.01 0.00 0.00 0.82 -4.58 120.51 119.13 2roq n ALA 152 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 52.18 2roq n ALA 152 Cb 0.24 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 2roq n ALA 152 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2roq h ASN 153 N 4.04 -1.16 0.52 0.00 -0.73 -1.57 0.34 115.58 117.02 2roq h ASN 153 Ca 0.00 0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.28 2roq h ASN 153 Cb 0.94 0.48 -0.01 0.00 0.27 0.00 0.00 38.32 40.00 2roq h ASN 153 CO 0.00 -0.40 -0.20 -0.07 -0.37 0.00 0.00 177.43 176.38 2roq h LEU 154 N -0.47 0.00 0.45 0.34 3.38 -1.90 -2.10 115.31 115.01 2roq h LEU 154 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2roq h LEU 154 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2roq h LEU 154 CO -0.36 0.20 -0.21 -0.78 0.09 0.00 0.00 178.44 177.38 2roq h ASP 155 N 0.00 -0.51 0.72 -0.43 1.82 -1.31 -2.14 116.42 114.58 2roq h ASP 155 Ca -0.00 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.57 2roq h ASP 155 Cb 0.52 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 2roq h ASP 155 CO 0.03 -0.08 -0.42 -0.08 -1.61 0.00 0.00 179.24 177.07 2roq h GLU 156 N -1.11 -1.03 -1.01 0.28 4.81 -0.40 -2.02 114.58 114.10 2roq h GLU 156 Ca -0.06 0.07 0.24 0.00 -0.13 0.00 0.00 59.36 59.48 2roq h GLU 156 Cb 0.52 0.23 -0.09 0.00 0.63 0.00 0.00 28.75 30.04 2roq h GLU 156 CO 0.10 -0.69 0.65 -0.39 -0.73 0.00 0.00 179.01 177.95 2roq h VAL 157 N -1.07 0.58 0.64 0.32 -1.51 -1.52 -0.61 116.25 113.08 2roq h VAL 157 Ca -0.09 -0.16 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 2roq h VAL 157 Cb 0.85 0.08 0.01 0.00 -2.13 0.00 0.00 31.29 30.10 2roq h VAL 157 CO 0.11 0.08 -0.31 0.00 -1.23 0.00 0.00 177.57 176.22 2roq h GLU 159 N -0.98 -0.49 0.14 0.00 4.39 -0.58 -1.29 114.58 115.76 2roq h GLU 159 Ca -0.09 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.66 2roq h GLU 159 Cb 0.69 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 2roq h GLU 159 CO 0.14 -0.33 -0.28 0.00 -1.16 0.00 0.00 179.01 177.38 2roq h ALA 160 N 0.17 -0.49 -0.03 3.43 0.00 -1.18 0.75 119.26 121.91 2roq h ALA 160 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2roq h ALA 160 Cb 0.52 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2roq h ALA 160 CO -0.12 -0.83 -0.13 1.25 0.00 0.00 0.00 179.25 179.42 2roq h HIS 161 N -0.51 -0.38 -0.82 0.00 -0.00 -0.54 -1.74 115.15 111.16 2roq h HIS 161 Ca 0.03 0.01 0.19 0.00 -0.00 0.00 0.00 60.37 60.60 2roq h HIS 161 Cb 0.53 0.17 -0.11 0.00 -0.00 0.00 0.00 27.41 27.99 2roq h HIS 161 CO -0.25 -0.13 0.30 -0.07 -0.00 0.00 0.00 177.93 177.78 2roq h LEU 162 N -0.13 0.21 -0.45 0.26 -0.00 -1.20 -0.76 115.31 113.23 2roq h LEU 162 Ca 0.01 0.14 0.07 0.00 -0.00 0.00 0.00 57.88 58.10 2roq h LEU 162 Cb 0.16 0.15 -0.09 0.00 -0.00 0.00 0.00 40.66 40.88 2roq h LEU 162 CO -0.10 0.01 -0.47 0.00 -0.00 0.00 0.00 178.44 177.87 2roq h ALA 163 N 1.65 -0.51 -0.28 1.53 0.00 0.00 0.29 119.26 121.94 2roq h ALA 163 Ca 0.48 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 2roq h ALA 163 Cb 0.86 0.98 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2roq h ALA 163 CO -0.50 -0.91 -0.15 1.15 0.00 0.00 0.00 179.25 178.83 2roq h THR 164 N -0.32 1.24 0.82 0.00 2.02 -0.59 -1.21 112.91 114.86 2roq h THR 164 Ca 0.13 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 2roq h THR 164 Cb 0.58 1.19 0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2roq h THR 164 CO -0.61 0.35 -0.39 -0.07 0.37 0.00 0.00 175.52 175.16 2roq h LEU 165 N 0.45 -0.93 -0.22 2.58 4.07 0.42 -2.00 115.31 119.67 2roq h LEU 165 Ca 0.08 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2roq h LEU 165 Cb 0.53 0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.51 2roq h LEU 165 CO 0.03 -0.66 0.00 0.18 -1.08 0.00 0.00 178.44 176.92 2roq n LEU 166 N -5.03 0.17 0.11 1.67 7.99 0.82 -1.89 117.00 120.83 2roq n LEU 166 Ca -0.14 0.55 -0.00 0.00 -0.01 0.00 0.00 56.01 56.41 2roq n LEU 166 Cb 0.43 -0.53 -0.03 0.00 -0.11 0.00 0.00 43.42 43.19 2roq n LEU 166 CO 0.33 -0.39 0.31 -0.33 -1.51 0.00 0.00 177.39 175.80 2roq h GLU 167 N 0.00 0.00 0.04 3.23 4.39 -0.76 -3.32 114.58 118.16 2roq h GLU 167 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 2roq h GLU 167 Cb 0.22 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2roq h GLU 167 CO 0.00 0.62 -1.92 1.04 -1.16 0.00 0.00 179.01 177.59 2roq n GLN 168 N -3.23 0.68 -3.52 2.33 1.13 -0.79 -5.01 117.38 108.97 2roq n GLN 168 Ca 0.00 0.24 -0.13 0.00 -1.94 0.00 0.00 57.00 55.18 2roq n GLN 168 Cb 0.80 -1.72 -0.04 0.00 0.11 0.00 0.00 30.24 29.39 2roq n GLN 168 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2roq s GLN 169 N -2.57 0.91 -0.02 -1.09 -0.21 -0.97 -5.07 119.66 110.65 2roq s GLN 169 Ca -0.12 -0.01 -0.26 0.00 0.02 0.00 0.00 55.36 54.99 2roq s GLN 169 Cb 0.07 0.43 -0.20 0.00 1.00 0.00 0.00 33.01 34.31 2roq s GLN 169 CO 0.80 -0.33 1.27 -1.00 -2.12 0.00 0.00 175.29 173.90 2roq h PRO 170 N 2.51 0.01 -3.26 2.91 0.13 -1.85 -3.33 132.00 129.13 2roq h PRO 170 Ca -0.25 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.83 2roq h PRO 170 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2roq h PRO 170 CO 0.35 0.50 0.15 -3.38 -0.23 0.00 0.00 178.00 175.38 2roq s HIS 171 N -4.26 0.24 -2.77 1.56 -3.43 -1.26 -4.88 115.29 100.50 2roq s HIS 171 Ca -0.16 -0.77 0.00 0.00 -0.80 0.00 0.00 55.06 53.33 2roq s HIS 171 Cb 0.02 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.76 2roq s HIS 171 CO 0.68 -1.37 0.00 0.41 -2.00 0.00 0.00 174.74 172.45 2roq n GLY 172 N -0.51 0.93 3.61 -1.38 0.00 -1.26 -4.91 105.19 101.67 2roq n GLY 172 Ca -0.05 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.01 3.49 -0.14 1.61 0.04 -1.26 -3.49 135.00 134.23 2roq s PRO 173 Ca 0.00 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 2roq s PRO 173 Cb 0.00 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.39 2roq s PRO 173 CO 0.00 -1.67 -0.07 0.71 0.04 0.00 0.00 177.00 176.02 2roq s TYR 174 N 6.20 2.96 -0.30 0.56 2.02 -1.26 -4.62 117.35 122.90 2roq s TYR 174 Ca 0.74 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.92 2roq s TYR 174 Cb -0.21 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 2roq s TYR 174 CO 0.33 -0.08 0.27 0.71 -1.57 0.00 0.00 175.55 175.21 2roq s TYR 175 N 0.31 3.22 0.29 2.71 2.02 -1.26 -3.43 117.35 121.23 2roq s TYR 175 Ca -0.06 0.06 0.06 0.00 -0.37 0.00 0.00 57.07 56.76 2roq s TYR 175 Cb -0.15 -2.49 -0.06 0.00 -0.40 0.00 0.00 41.96 38.86 2roq s TYR 175 CO 0.04 -0.27 -0.02 -0.51 -1.57 0.00 0.00 175.55 173.21 2roq s LEU 176 N 1.85 2.41 0.02 -1.29 1.43 -1.23 -2.81 118.68 119.06 2roq s LEU 176 Ca 0.09 -1.25 0.01 0.00 -1.03 0.00 0.00 54.13 51.95 2roq s LEU 176 Cb -0.16 -0.56 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 2roq s LEU 176 CO 0.11 -0.42 -0.04 -0.22 0.23 0.00 0.00 176.35 176.01 2roq s LEU 177 N -3.46 2.15 0.18 1.79 0.20 -1.21 -0.07 118.68 118.25 2roq s LEU 177 Ca 0.31 -0.32 0.08 0.00 0.69 0.00 0.00 54.13 54.89 2roq s LEU 177 Cb 0.05 -0.05 -0.04 0.00 -0.43 0.00 0.00 46.19 45.72 2roq s LEU 177 CO 0.13 -0.14 -0.17 -0.83 -0.29 0.00 0.00 176.35 175.05 2roq s GLY 178 N -0.90 1.38 -0.19 7.98 0.00 0.12 -2.98 107.32 112.74 2roq s GLY 178 Ca -0.08 -1.53 -0.16 0.00 0.00 0.00 0.00 44.72 42.95 2roq s GLY 178 CO -0.00 -1.60 0.49 -0.47 0.00 0.00 0.00 173.10 171.52 2roq s TYR 179 N -2.36 -0.56 0.00 1.90 5.04 -1.25 -2.92 117.35 117.21 2roq s TYR 179 Ca 0.17 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.14 2roq s TYR 179 Cb -0.04 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.48 2roq s TYR 179 CO 0.06 -0.28 0.00 0.43 -1.34 0.00 0.00 175.55 174.43 2roq n SER 180 N 3.00 0.00 -0.10 4.32 7.64 -1.25 -1.56 113.62 125.68 2roq n SER 180 Ca -0.15 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.86 2roq n SER 180 Cb 0.57 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 64.12 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 0.65 -0.30 -3.43 7.94 -1.26 -4.14 117.00 116.46 2roq n LEU 181 Ca 0.00 -0.06 0.35 0.00 -1.11 0.00 0.00 56.01 55.19 2roq n LEU 181 Cb 0.00 -0.21 0.72 0.00 0.53 0.00 0.00 43.42 44.45 2roq n LEU 181 CO 0.00 0.14 1.32 1.23 -1.11 0.00 0.00 177.39 178.96 2roq h GLY 182 N 4.97 0.00 0.00 -3.96 0.00 -1.51 -1.84 103.07 100.73 2roq h GLY 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2roq h GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2roq n GLY 183 N -1.74 -2.96 0.31 4.60 0.00 -1.26 0.46 105.19 104.60 2roq n GLY 183 Ca 0.25 0.20 -0.03 0.00 0.00 0.00 0.00 46.02 46.43 2roq n GLY 183 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2roq h THR 184 N 0.00 1.17 0.48 2.61 1.35 -1.83 -2.15 112.91 114.53 2roq h THR 184 Ca 0.00 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 2roq h THR 184 Cb 0.00 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.43 2roq h THR 184 CO 0.00 0.19 -0.43 0.25 -0.25 0.00 0.00 175.52 175.28 2roq h LEU 185 N 1.05 -1.15 -0.80 3.87 7.12 -1.36 -2.02 115.31 122.03 2roq h LEU 185 Ca 0.31 0.09 0.14 0.00 0.13 0.00 0.00 57.88 58.55 2roq h LEU 185 Cb -0.06 0.38 -0.09 0.00 -0.53 0.00 0.00 40.66 40.35 2roq h LEU 185 CO -0.09 -0.60 0.37 0.00 -0.13 0.00 0.00 178.44 178.00 2roq h ALA 186 N -0.62 1.16 0.14 1.25 0.00 0.15 -1.62 119.26 119.74 2roq h ALA 186 Ca -0.05 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2roq h ALA 186 Cb 0.79 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2roq h ALA 186 CO -0.04 -0.14 -0.39 1.96 0.00 0.00 0.00 179.25 180.64 2roq h GLN 187 N 0.54 -0.61 0.59 0.00 4.20 -0.96 0.35 115.11 119.21 2roq h GLN 187 Ca 0.43 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.16 2roq h GLN 187 Cb 0.63 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2roq h GLN 187 CO -0.38 -0.41 -0.40 0.78 -0.67 0.00 0.00 178.83 177.76 2roq h GLY 188 N -0.63 -1.15 0.22 3.46 0.00 -0.75 -2.06 103.07 102.16 2roq h GLY 188 Ca 0.02 0.48 0.22 0.00 0.00 0.00 0.00 47.33 48.06 2roq h GLY 188 CO -0.21 -0.38 0.62 1.19 0.00 0.00 0.00 176.54 177.75 2roq h ILE 189 N -0.94 0.64 -0.50 2.60 2.10 -1.27 0.34 117.51 120.47 2roq h ILE 189 Ca -0.08 -0.12 -0.01 0.00 1.08 0.00 0.00 64.86 65.73 2roq h ILE 189 Cb 0.77 0.25 -0.02 0.00 -1.09 0.00 0.00 36.82 36.72 2roq h ILE 189 CO 0.06 0.06 0.27 0.00 -1.08 0.00 0.00 178.15 177.46 2roq h ALA 190 N 1.60 0.64 0.00 0.18 0.00 0.14 -1.99 119.26 119.83 2roq h ALA 190 Ca 0.49 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 2roq h ALA 190 Cb 1.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2roq h ALA 190 CO -0.17 0.17 -0.29 0.00 0.00 0.00 0.00 179.25 178.95 2roq h ALA 191 N 1.11 1.20 -0.06 0.00 0.00 -0.26 -2.10 119.26 119.15 2roq h ALA 191 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2roq h ALA 191 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2roq h ALA 191 CO -0.03 0.37 -0.06 -0.09 0.00 0.00 0.00 179.25 179.44 2roq h ARG 192 N 0.00 0.14 0.51 0.00 1.12 -0.77 -2.13 114.38 113.24 2roq h ARG 192 Ca -0.00 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 58.77 2roq h ARG 192 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.62 2roq h ARG 192 CO 0.04 0.59 -0.24 -0.07 -3.11 0.00 0.00 179.97 177.18 2roq h LEU 193 N -0.30 -0.58 -1.73 3.80 3.38 -1.31 0.35 115.31 118.93 2roq h LEU 193 Ca 0.01 -0.07 0.23 0.00 0.09 0.00 0.00 57.88 58.14 2roq h LEU 193 Cb 0.57 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2roq h LEU 193 CO 0.01 -0.22 0.61 -0.09 0.09 0.00 0.00 178.44 178.85 2roq h ARG 194 N -0.99 0.21 0.00 1.13 9.65 -1.46 0.36 114.38 123.28 2roq h ARG 194 Ca -0.07 -0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 58.62 2roq h ARG 194 Cb 0.61 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 2roq h ARG 194 CO 0.11 0.14 -1.11 0.00 2.80 0.00 0.00 179.97 181.91 2roq h ALA 195 N 1.59 0.62 0.00 2.80 0.00 -1.24 -3.28 119.26 119.75 2roq h ALA 195 Ca 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2roq h ALA 195 Cb 1.42 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2roq h ALA 195 CO -0.11 0.98 -0.00 0.54 0.00 0.00 0.00 179.25 180.67 2roq n ARG 196 N -3.09 0.20 -0.09 0.00 1.74 0.12 -4.90 116.66 110.64 2roq n ARG 196 Ca -0.06 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2roq n ARG 196 Cb 0.86 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 2roq n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2roq n GLY 197 N 1.35 1.32 3.59 -0.13 0.00 0.20 -5.05 105.19 106.48 2roq n GLY 197 Ca 0.06 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.55 3.69 0.74 1.61 0.41 -0.16 -4.85 118.70 119.59 2roq s GLU 198 Ca 0.00 -0.42 -0.11 0.00 -0.41 0.00 0.00 54.97 54.03 2roq s GLU 198 Cb 0.00 -3.03 0.04 0.00 -1.78 0.00 0.00 34.13 29.36 2roq s GLU 198 CO 0.00 0.34 1.09 -0.65 -0.49 0.00 0.00 175.26 175.54 2roq s GLN 199 N 0.14 2.45 -0.32 1.61 1.11 -1.23 -3.71 119.66 119.72 2roq s GLN 199 Ca 0.02 1.16 -0.02 0.00 0.01 0.00 0.00 55.36 56.53 2roq s GLN 199 Cb -0.13 -1.92 0.11 0.00 -1.01 0.00 0.00 33.01 30.06 2roq s GLN 199 CO 0.02 -1.49 0.14 0.14 0.01 0.00 0.00 175.29 174.10 2roq s VAL 200 N -2.85 0.40 0.11 1.09 -7.23 -1.26 -4.02 120.40 106.65 2roq s VAL 200 Ca 0.61 -1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.23 2roq s VAL 200 Cb -0.17 -1.32 -0.09 0.00 0.56 0.00 0.00 36.38 35.36 2roq s VAL 200 CO 0.54 -0.76 1.60 0.00 -0.31 0.00 0.00 175.10 176.17 2roq h ALA 201 N 7.98 -0.68 -0.31 1.32 0.00 -1.80 -3.45 119.26 122.31 2roq h ALA 201 Ca -0.13 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 201 Cb 1.00 0.64 -0.21 0.00 0.00 0.00 0.00 17.79 19.23 2roq h ALA 201 CO 0.43 -0.95 0.13 0.12 0.00 0.00 0.00 179.25 178.98 2roq s PHE 202 N -5.95 -0.51 0.15 0.00 2.19 -1.24 -4.80 117.98 107.84 2roq s PHE 202 Ca -0.16 0.52 -0.26 0.00 0.33 0.00 0.00 56.93 57.36 2roq s PHE 202 Cb 0.08 0.17 -0.08 0.00 -1.31 0.00 0.00 43.02 41.88 2roq s PHE 202 CO 0.64 -0.28 0.81 -0.51 1.83 0.00 0.00 175.22 177.71 2roq s LEU 203 N 2.96 4.57 -0.12 6.12 1.02 -1.21 -3.53 118.68 128.49 2roq s LEU 203 Ca 0.00 1.67 -0.13 0.00 0.02 0.00 0.00 54.13 55.69 2roq s LEU 203 Cb -0.10 -3.35 -0.05 0.00 0.02 0.00 0.00 46.19 42.72 2roq s LEU 203 CO -0.12 0.15 0.30 -0.83 0.02 0.00 0.00 176.35 175.88 2roq s GLY 204 N -0.90 2.26 -0.05 -3.19 0.00 0.89 -2.58 107.32 103.76 2roq s GLY 204 Ca 0.38 -0.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.65 2roq s GLY 204 CO 0.27 0.26 0.09 1.08 0.00 0.00 0.00 173.10 174.80 2roq s LEU 205 N -0.08 0.11 -0.00 0.66 1.02 -0.79 0.14 118.68 119.74 2roq s LEU 205 Ca 0.18 0.16 0.05 0.00 0.02 0.00 0.00 54.13 54.55 2roq s LEU 205 Cb -0.14 0.00 -0.03 0.00 0.02 0.00 0.00 46.19 46.05 2roq s LEU 205 CO 0.06 -0.24 -0.15 -0.22 0.02 0.00 0.00 176.35 175.82 2roq s LEU 206 N 2.16 2.74 0.00 1.79 2.96 -1.15 -2.24 118.68 124.94 2roq s LEU 206 Ca 0.04 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 2roq s LEU 206 Cb -0.12 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 44.99 2roq s LEU 206 CO -0.04 0.29 0.00 0.47 -1.32 0.00 0.00 176.35 175.76 2roq n ASP 207 N 1.85 -2.31 -0.63 3.68 8.00 -0.58 -3.76 116.55 122.81 2roq n ASP 207 Ca -0.16 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.29 2roq n ASP 207 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2roq n ASP 207 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2roq n THR 208 N -0.14 -0.28 -1.33 -3.53 -1.04 -1.26 -4.53 114.28 102.16 2roq n THR 208 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 2roq n THR 208 Cb 0.00 -1.19 -0.08 0.00 -1.82 0.00 0.00 70.33 67.23 2roq n THR 208 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2roq n TRP 209 N -3.89 -3.57 -1.18 -1.42 5.03 -1.26 -4.89 117.44 106.26 2roq n TRP 209 Ca -0.05 1.95 -0.29 0.00 3.03 0.00 0.00 57.50 62.15 2roq n TRP 209 Cb 0.54 -3.24 0.17 0.00 -1.03 0.00 0.00 31.31 27.74 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -0.03 0.00 0.00 177.69 176.41 2roq s PRO 210 N -4.01 0.57 -1.06 -0.99 0.04 -1.26 -4.81 135.00 123.48 2roq s PRO 210 Ca 0.00 0.57 -0.23 0.00 0.04 0.00 0.00 61.00 61.38 2roq s PRO 210 Cb 0.00 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.68 2roq s PRO 210 CO 0.00 -2.65 1.93 -0.35 0.04 0.00 0.00 177.00 175.97 2roq n PRO 211 N -4.12 1.54 0.01 0.56 -0.04 -1.26 -3.67 135.00 128.02 2roq n PRO 211 Ca 0.05 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 2roq n PRO 211 Cb 0.57 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 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 7.94 0.00 -3.60 0.54 2.13 -1.26 -4.99 120.64 121.40 2roq n GLU 212 Ca 0.46 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.89 2roq n GLU 212 Cb 0.45 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.05 2roq n GLU 212 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2roq s THR 213 N -1.21 5.07 0.28 6.31 -4.23 -1.24 -5.04 115.64 115.58 2roq s THR 213 Ca 0.00 -0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 2roq s THR 213 Cb 0.00 -3.51 0.04 0.00 1.34 0.00 0.00 72.50 70.37 2roq s THR 213 CO 0.00 0.13 0.58 1.67 -0.54 0.00 0.00 174.62 176.46 2roq n GLN 214 N 5.05 0.82 -3.16 3.99 0.00 -1.26 -4.53 117.38 118.29 2roq n GLN 214 Ca -0.14 -1.60 -0.14 0.00 -0.00 0.00 0.00 57.00 55.12 2roq n GLN 214 Cb 0.51 2.01 0.07 0.00 0.00 0.00 0.00 30.24 32.82 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 -1.38 -2.41 -0.01 1.69 4.13 -1.26 -4.94 115.26 111.08 2roq n ASN 215 Ca -0.06 -0.52 0.06 0.00 1.68 0.00 0.00 54.58 55.74 2roq n ASN 215 Cb 0.43 -4.33 -0.14 0.00 -1.54 0.00 0.00 39.78 34.20 2roq n ASN 215 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 2roq n TRP 216 N -3.52 0.22 0.03 3.10 2.14 -1.26 -4.23 117.44 113.92 2roq n TRP 216 Ca -0.22 0.07 0.21 0.00 2.07 0.00 0.00 57.50 59.63 2roq n TRP 216 Cb 0.64 -0.72 0.73 0.00 -0.81 0.00 0.00 31.31 31.15 2roq n TRP 216 CO 0.00 0.00 0.00 1.96 2.07 0.00 0.00 177.69 181.72 2roq h GLN 217 N 0.00 0.00 -0.75 -2.67 1.08 -1.94 0.01 115.11 110.85 2roq h GLN 217 Ca -0.12 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.29 2roq h GLN 217 Cb 1.30 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.70 2roq h GLN 217 CO 0.01 0.00 0.62 1.49 -0.95 0.00 0.00 178.83 180.00 2roq h GLU 218 N 0.00 0.00 -0.75 1.46 4.81 -1.78 0.93 114.58 119.24 2roq h GLU 218 Ca 0.24 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.94 2roq h GLU 218 Cb 1.11 0.00 -0.43 0.00 0.63 0.00 0.00 28.75 30.07 2roq h GLU 218 CO -0.00 0.00 -0.84 1.17 -0.73 0.00 0.00 179.01 178.61 2roq n LYS 219 N -3.99 3.49 -0.22 1.92 4.81 -0.01 -4.82 118.16 119.35 2roq n LYS 219 Ca 0.15 -4.13 0.23 0.00 -0.87 0.00 0.00 58.31 53.68 2roq n LYS 219 Cb 0.89 -2.23 0.59 0.00 0.02 0.00 0.00 35.03 34.30 2roq n LYS 219 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2roq h GLU 220 N 2.22 0.25 -0.24 1.64 -0.00 -0.88 0.24 114.58 117.81 2roq h GLU 220 Ca 0.33 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.36 59.63 2roq h GLU 220 Cb 1.51 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 30.19 2roq h GLU 220 CO 0.72 0.16 -0.04 0.00 -0.00 0.00 0.00 179.01 179.86 2roq h ALA 221 N 1.59 0.33 -0.93 1.06 0.00 -1.84 0.25 119.26 119.73 2roq h ALA 221 Ca 0.46 -0.25 -0.63 0.00 0.00 0.00 0.00 54.91 54.49 2roq h ALA 221 Cb 1.39 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 18.74 2roq h ALA 221 CO -0.12 0.10 0.13 -1.71 0.00 0.00 0.00 179.25 177.64 2roq n ASN 222 N -4.59 6.43 0.00 0.00 5.15 -0.05 -4.56 115.26 117.64 2roq n ASN 222 Ca -0.04 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.17 2roq n ASN 222 Cb 0.28 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2roq n GLY 223 N -0.79 0.17 3.44 8.20 0.00 0.63 -4.98 105.19 111.86 2roq n GLY 223 Ca 0.54 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.98 3.66 0.46 0.99 1.43 0.89 -4.97 118.68 119.15 2roq s LEU 224 Ca 0.00 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 2roq s LEU 224 Cb 0.00 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 2roq s LEU 224 CO 0.00 -0.09 0.93 -1.81 0.23 0.00 0.00 176.35 175.61 2roq s ASP 225 N 1.61 6.72 0.00 2.29 1.11 -1.26 -4.51 116.67 122.63 2roq s ASP 225 Ca 0.06 1.53 0.15 0.00 0.18 0.00 0.00 52.55 54.47 2roq s ASP 225 Cb -0.16 -2.49 0.87 0.00 1.07 0.00 0.00 42.92 42.22 2roq s ASP 225 CO 0.04 -0.46 1.36 -0.81 1.18 0.00 0.00 175.17 176.48 2roq n PRO 226 N -1.15 0.41 -0.07 8.23 -0.04 -1.26 -2.93 135.00 138.19 2roq n PRO 226 Ca 0.06 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 2roq n PRO 226 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2roq n PRO 226 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2roq h GLU 227 N 0.00 0.08 -0.86 0.54 5.08 -1.97 -3.08 114.58 114.36 2roq h GLU 227 Ca 0.00 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2roq h GLU 227 Cb 0.04 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2roq h GLU 227 CO 0.00 1.06 0.44 -0.24 -1.00 0.00 0.00 179.01 179.27 2roq h VAL 228 N -0.72 1.26 -0.28 3.13 3.04 -1.94 0.15 116.25 120.89 2roq h VAL 228 Ca -0.34 -0.69 -0.17 0.00 -1.01 0.00 0.00 66.70 64.48 2roq h VAL 228 Cb 1.48 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2roq h VAL 228 CO -0.12 0.30 -0.51 -0.07 -1.01 0.00 0.00 177.57 176.16 2roq h LEU 229 N 1.22 0.88 -0.80 3.16 3.38 -1.73 -2.09 115.31 119.32 2roq h LEU 229 Ca 0.30 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2roq h LEU 229 Cb 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2roq h LEU 229 CO -0.04 1.23 -0.04 0.00 0.09 0.00 0.00 178.44 179.68 2roq h ALA 230 N 0.79 0.99 0.03 1.53 0.00 -1.39 -2.13 119.26 119.09 2roq h ALA 230 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2roq h ALA 230 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2roq h ALA 230 CO 0.11 0.05 -0.25 0.93 0.00 0.00 0.00 179.25 180.09 2roq h GLU 231 N 0.00 0.07 -0.14 0.00 5.08 -0.53 -2.13 114.58 116.93 2roq h GLU 231 Ca -0.00 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 2roq h GLU 231 Cb 0.76 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2roq h GLU 231 CO 0.01 1.06 -0.36 -0.84 -1.00 0.00 0.00 179.01 177.87 2roq h ILE 232 N -0.85 1.29 0.02 3.13 3.07 -1.42 0.26 117.51 123.01 2roq h ILE 232 Ca -0.05 -1.42 -0.22 0.00 1.55 0.00 0.00 64.86 64.73 2roq h ILE 232 Cb 1.16 1.58 -0.01 0.00 -0.27 0.00 0.00 36.82 39.29 2roq h ILE 232 CO 0.03 0.43 -0.96 0.78 -1.05 0.00 0.00 178.15 177.38 2roq h ASN 233 N 0.25 0.34 0.16 2.16 2.35 -1.50 -2.14 115.58 117.20 2roq h ASN 233 Ca 0.03 -0.29 -0.21 0.00 -0.55 0.00 0.00 56.30 55.27 2roq h ASN 233 Cb 0.76 -0.11 0.03 0.00 0.05 0.00 0.00 38.32 39.05 2roq h ASN 233 CO 0.06 1.12 -0.94 -0.09 -1.65 0.00 0.00 177.43 175.93 2roq h ARG 234 N 0.13 0.35 -0.54 0.81 2.43 -1.20 -2.11 114.38 114.24 2roq h ARG 234 Ca -0.07 -0.59 -0.06 0.00 -0.81 0.00 0.00 59.98 58.45 2roq h ARG 234 Cb 1.61 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 31.36 2roq h ARG 234 CO 0.15 1.28 0.09 1.49 -1.51 0.00 0.00 179.97 181.47 2roq h GLU 235 N -0.26 0.89 0.39 0.20 4.81 -0.58 -1.27 114.58 118.76 2roq h GLU 235 Ca -0.16 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 2roq h GLU 235 Cb 1.74 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.02 2roq h GLU 235 CO 0.18 0.87 -0.19 -0.09 -0.73 0.00 0.00 179.01 179.05 2roq h ARG 236 N 0.78 -0.50 -0.69 1.92 9.65 -1.50 0.90 114.38 124.93 2roq h ARG 236 Ca 0.16 0.03 0.20 0.00 -1.10 0.00 0.00 59.98 59.28 2roq h ARG 236 Cb 0.40 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 2roq h ARG 236 CO 0.01 -0.22 0.51 1.05 2.80 0.00 0.00 179.97 184.12 2roq h GLU 237 N -1.03 0.00 0.00 0.20 4.11 -1.43 0.66 114.58 117.08 2roq h GLU 237 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2roq h GLU 237 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2roq h GLU 237 CO 0.09 0.00 -0.64 0.00 0.07 0.00 0.00 179.01 178.53 2roq n ALA 238 N -2.66 3.88 0.05 1.06 0.00 -0.48 -3.05 120.51 119.31 2roq n ALA 238 Ca 0.14 -0.42 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 2roq n ALA 238 Cb 0.77 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.05 2roq n ALA 238 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2roq h PHE 239 N 0.00 0.54 -0.00 0.00 3.04 0.29 -1.00 116.94 119.81 2roq h PHE 239 Ca 0.00 -0.39 0.00 0.00 3.98 0.00 0.00 57.97 61.56 2roq h PHE 239 Cb 0.50 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.99 2roq h PHE 239 CO 0.00 1.35 -0.41 1.47 -2.02 0.00 0.00 178.31 178.70 2roq n LEU 240 N -4.09 0.62 -0.09 0.59 -0.00 -0.82 -4.38 117.00 108.83 2roq n LEU 240 Ca -0.16 -0.05 -0.09 0.00 -0.00 0.00 0.00 56.01 55.72 2roq n LEU 240 Cb 0.84 -0.22 -0.03 0.00 -0.00 0.00 0.00 43.42 44.01 2roq n LEU 240 CO 0.48 0.14 -0.65 0.00 -0.00 0.00 0.00 177.39 177.35 2roq n ALA 241 N -1.27 0.85 -3.15 1.47 0.00 -1.17 -4.10 120.51 113.14 2roq n ALA 241 Ca 0.07 -0.79 0.06 0.00 0.00 0.00 0.00 53.44 52.78 2roq n ALA 241 Cb 0.34 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 2roq n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq s ALA 242 N -2.91 -4.00 0.61 0.00 0.00 -0.56 -4.70 121.76 110.20 2roq s ALA 242 Ca -0.28 1.30 0.26 0.00 0.00 0.00 0.00 51.96 53.24 2roq s ALA 242 Cb 0.04 -2.68 1.29 0.00 0.00 0.00 0.00 23.12 21.77 2roq s ALA 242 CO 0.41 -1.62 1.71 1.96 0.00 0.00 0.00 175.76 178.23 2roq h GLN 243 N 7.85 0.00 0.00 0.00 4.20 -1.48 -2.71 115.11 122.97 2roq h GLN 243 Ca -0.10 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.45 2roq h GLN 243 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 2roq h GLN 243 CO -0.22 0.00 -1.41 1.04 -0.67 0.00 0.00 178.83 177.56 2roq n GLN 244 N -3.35 0.45 0.00 1.46 1.13 -1.26 -5.02 117.38 110.79 2roq n GLN 244 Ca 0.09 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 2roq n GLN 244 Cb 0.81 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.89 2roq n GLN 244 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2roq n GLY 245 N 1.74 2.92 2.04 1.08 0.00 -1.02 -5.12 105.19 106.83 2roq n GLY 245 Ca -0.25 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.82 -3.66 1.61 2.88 -1.26 -4.98 113.62 107.39 2roq n SER 246 Ca 0.00 0.39 -0.27 0.00 -1.33 0.00 0.00 58.87 57.66 2roq n SER 246 Cb 0.00 0.92 -0.10 0.00 -0.75 0.00 0.00 64.21 64.28 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 -3.12 1.31 -0.96 2.46 -1.04 -1.26 -4.93 114.28 106.75 2roq n THR 247 Ca 0.00 -4.72 -0.22 0.00 -2.04 0.00 0.00 64.05 57.06 2roq n THR 247 Cb 0.00 -2.08 0.07 0.00 -1.82 0.00 0.00 70.33 66.50 2roq n THR 247 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2roq n SER 248 N 1.74 6.26 0.00 8.00 3.41 -1.26 -3.49 113.62 128.28 2roq n SER 248 Ca 0.24 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 2roq n SER 248 Cb 0.39 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 2roq n SER 248 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2roq n THR 249 N -0.25 0.00 0.25 6.66 -2.24 -1.26 -4.81 114.28 112.63 2roq n THR 249 Ca 0.43 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.10 2roq n THR 249 Cb 0.75 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.82 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2roq h GLU 250 N 0.00 -0.66 -0.30 -0.78 3.07 -2.00 -1.43 114.58 112.49 2roq h GLU 250 Ca 0.00 0.05 0.07 0.00 -0.50 0.00 0.00 59.36 58.97 2roq h GLU 250 Cb 0.00 0.15 -0.08 0.00 -0.84 0.00 0.00 28.75 27.98 2roq h GLU 250 CO 0.00 -0.44 -0.23 1.25 -1.40 0.00 0.00 179.01 178.19 2roq h LEU 251 N -1.00 -0.74 -0.44 1.33 6.46 -1.95 -1.56 115.31 117.42 2roq h LEU 251 Ca -0.07 0.14 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 2roq h LEU 251 Cb 0.53 0.37 -0.06 0.00 -0.73 0.00 0.00 40.66 40.76 2roq h LEU 251 CO 0.12 -0.26 0.08 -0.26 -0.62 0.00 0.00 178.44 177.50 2roq h PHE 252 N -0.20 0.13 -0.91 1.25 -1.00 -1.65 0.19 116.94 114.75 2roq h PHE 252 Ca 0.16 0.03 0.16 0.00 2.81 0.00 0.00 57.97 61.12 2roq h PHE 252 Cb 0.45 0.01 -0.10 0.00 3.61 0.00 0.00 35.95 39.91 2roq h PHE 252 CO -0.41 0.00 0.50 1.15 -1.61 0.00 0.00 178.31 177.94 2roq h THR 253 N 0.21 0.72 -0.00 -1.55 2.02 -0.29 0.48 112.91 114.50 2roq h THR 253 Ca 0.22 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2roq h THR 253 Cb 0.27 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2roq h THR 253 CO -0.29 0.13 -0.07 0.71 0.37 0.00 0.00 175.52 176.37 2roq h THR 254 N 0.69 1.59 0.14 3.16 1.35 -0.56 -2.08 112.91 117.19 2roq h THR 254 Ca 0.51 -1.82 -0.01 0.00 -0.55 0.00 0.00 66.41 64.54 2roq h THR 254 Cb 0.74 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.95 2roq h THR 254 CO -0.37 0.48 -0.07 0.40 -0.25 0.00 0.00 175.52 175.71 2roq h ILE 255 N -0.68 0.00 -0.91 6.82 1.08 -0.12 -1.62 117.51 122.08 2roq h ILE 255 Ca -0.01 -0.01 0.17 0.00 -0.39 0.00 0.00 64.86 64.62 2roq h ILE 255 Cb 0.82 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.47 2roq h ILE 255 CO 0.01 0.00 0.49 -0.08 -0.69 0.00 0.00 178.15 177.89 2roq h GLU 256 N -0.20 0.63 -0.79 2.37 4.81 -0.24 0.31 114.58 121.47 2roq h GLU 256 Ca -0.02 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2roq h GLU 256 Cb 0.15 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 2roq h GLU 256 CO 0.03 0.41 0.47 0.78 -0.73 0.00 0.00 179.01 179.98 2roq h GLY 257 N 0.65 1.18 0.04 1.92 0.00 -1.35 0.27 103.07 105.77 2roq h GLY 257 Ca 0.52 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2roq h GLY 257 CO -0.39 0.22 -0.01 3.43 0.00 0.00 0.00 176.54 179.80 2roq h ASN 258 N 0.87 -0.02 -0.66 0.19 2.35 -0.06 -2.14 115.58 116.11 2roq h ASN 258 Ca 0.35 -0.58 0.11 0.00 -0.55 0.00 0.00 56.30 55.63 2roq h ASN 258 Cb 0.18 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.47 2roq h ASN 258 CO -0.18 0.76 0.22 0.22 -1.65 0.00 0.00 177.43 176.81 2roq h TYR 259 N -0.98 0.38 -0.26 1.19 3.20 -0.42 0.30 116.97 120.39 2roq h TYR 259 Ca -0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 2roq h TYR 259 Cb 0.60 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2roq h TYR 259 CO 0.16 0.05 -0.45 0.00 -1.64 0.00 0.00 178.16 176.29 2roq h ALA 260 N 1.48 0.73 -0.44 1.82 0.00 -0.60 -2.11 119.26 120.14 2roq h ALA 260 Ca 0.34 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2roq h ALA 260 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2roq h ALA 260 CO -0.36 0.67 -0.11 -0.44 0.00 0.00 0.00 179.25 179.00 2roq h ASP 261 N 0.53 0.78 -0.01 0.00 3.32 -0.48 -0.71 116.42 119.85 2roq h ASP 261 Ca 0.03 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2roq h ASP 261 Cb 0.99 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2roq h ASP 261 CO 0.09 0.91 -0.01 0.00 -1.72 0.00 0.00 179.24 178.51 2roq h ALA 262 N 1.16 0.02 0.00 3.45 0.00 -0.37 0.27 119.26 123.79 2roq h ALA 262 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2roq h ALA 262 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2roq h ALA 262 CO 0.04 -0.22 0.00 1.55 0.00 0.00 0.00 179.25 180.62 2roq n VAL 263 N -4.82 0.87 0.07 0.00 3.14 -0.80 -0.07 118.33 116.72 2roq n VAL 263 Ca -0.08 0.22 0.08 0.00 -2.96 0.00 0.00 64.34 61.59 2roq n VAL 263 Cb 0.27 -0.94 -0.12 0.00 -1.06 0.00 0.00 33.84 31.98 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 -1.48 0.63 -0.11 1.45 0.63 -0.28 -4.51 116.66 112.99 2roq n ARG 264 Ca 0.04 -0.13 -0.12 0.00 -0.92 0.00 0.00 57.85 56.73 2roq n ARG 264 Cb 0.18 -1.36 -0.15 0.00 0.45 0.00 0.00 32.46 31.58 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 -1.97 0.64 0.05 6.15 -0.00 0.95 -4.22 117.00 118.60 2roq n LEU 265 Ca -0.02 -0.03 0.06 0.00 -0.00 0.00 0.00 56.01 56.02 2roq n LEU 265 Cb 0.39 0.20 0.27 0.00 -0.00 0.00 0.00 43.42 44.28 2roq n LEU 265 CO 0.33 0.59 0.68 0.00 -0.00 0.00 0.00 177.39 178.99 2roq n LEU 266 N -2.86 0.22 0.18 1.47 -0.00 0.90 -0.71 117.00 116.20 2roq n LEU 266 Ca -0.36 0.58 0.12 0.00 -0.00 0.00 0.00 56.01 56.35 2roq n LEU 266 Cb 1.12 -0.59 0.14 0.00 -0.00 0.00 0.00 43.42 44.10 2roq n LEU 266 CO 0.39 -0.56 0.59 0.00 -0.00 0.00 0.00 177.39 177.82 2roq h THR 267 N 0.00 0.00 0.00 1.47 1.03 -1.79 -3.33 112.91 110.29 2roq h THR 267 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 66.41 65.45 2roq h THR 267 Cb 0.10 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 2roq h THR 267 CO 0.00 0.00 -1.01 1.07 -0.01 0.00 0.00 175.52 175.57 2roq n THR 268 N -2.90 0.00 -0.25 0.00 5.66 -0.23 -4.46 114.28 112.09 2roq n THR 268 Ca 0.03 -0.20 -0.26 0.00 -3.05 0.00 0.00 64.05 60.56 2roq n THR 268 Cb 0.53 0.54 0.26 0.00 -1.55 0.00 0.00 70.33 70.10 2roq n THR 268 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roq n ALA 269 N -1.56 -4.56 -2.43 1.79 0.00 0.11 -5.05 120.51 108.82 2roq n ALA 269 Ca -0.01 -1.33 -0.20 0.00 0.00 0.00 0.00 53.44 51.91 2roq n ALA 269 Cb 0.14 -0.12 -0.11 0.00 0.00 0.00 0.00 19.45 19.37 2roq n ALA 269 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2roq s HIS 270 N -2.03 1.74 -0.23 0.00 -3.43 -1.26 -5.02 115.29 105.06 2roq s HIS 270 Ca 0.58 -0.51 -0.37 0.00 -0.80 0.00 0.00 55.06 53.96 2roq s HIS 270 Cb -0.10 -0.85 0.15 0.00 -1.43 0.00 0.00 32.58 30.35 2roq s HIS 270 CO 0.48 0.32 1.31 -1.54 -2.00 0.00 0.00 174.74 173.32 2roq s SER 271 N -2.84 -0.06 -0.08 7.38 1.04 -1.26 -4.64 113.70 113.24 2roq s SER 271 Ca 0.17 -0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.54 2roq s SER 271 Cb -0.04 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.18 2roq s SER 271 CO 0.06 -0.12 0.19 -0.69 0.98 0.00 0.00 173.24 173.67 2roq s VAL 272 N -2.20 -0.03 -0.09 5.02 1.01 -1.25 -4.82 120.40 118.05 2roq s VAL 272 Ca 0.11 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2roq s VAL 272 Cb -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 2roq s VAL 272 CO -0.03 0.04 1.52 -2.16 0.00 0.00 0.00 175.10 174.47 2roq s PRO 273 N 0.83 4.20 0.57 2.72 0.04 -1.26 -4.01 135.00 138.10 2roq s PRO 273 Ca -0.06 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 2roq s PRO 273 Cb -0.08 -3.89 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 2roq s PRO 273 CO -0.05 -0.79 0.99 -0.59 0.04 0.00 0.00 177.00 176.61 2roq s PHE 274 N 3.78 3.56 -0.88 0.56 -0.71 -1.26 -4.98 117.98 118.05 2roq s PHE 274 Ca 0.67 1.31 -0.05 0.00 -1.04 0.00 0.00 56.93 57.82 2roq s PHE 274 Cb -0.30 -2.71 0.22 0.00 -1.21 0.00 0.00 43.02 39.03 2roq s PHE 274 CO 0.25 -0.54 0.78 -0.51 -1.34 0.00 0.00 175.22 173.85 2roq s ASP 275 N -3.79 6.25 0.00 1.98 1.11 -1.26 -4.89 116.67 116.07 2roq s ASP 275 Ca 0.56 -3.38 0.00 0.00 0.18 0.00 0.00 52.55 49.91 2roq s ASP 275 Cb -0.11 -2.01 0.00 0.00 1.07 0.00 0.00 42.92 41.88 2roq s ASP 275 CO 0.45 -0.30 0.00 0.61 1.18 0.00 0.00 175.17 177.12 2roq n GLY 276 N 2.88 3.90 2.83 0.21 0.00 -1.26 -4.88 105.19 108.86 2roq n GLY 276 Ca 0.18 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 3.77 1.05 0.14 1.61 -0.14 -1.26 -2.74 119.74 122.16 2roq s LYS 277 Ca 0.00 -0.23 -0.11 0.00 -1.36 0.00 0.00 55.97 54.27 2roq s LYS 277 Cb 0.00 -1.58 0.01 0.00 -1.68 0.00 0.00 37.83 34.58 2roq s LYS 277 CO 0.00 -0.39 0.31 0.00 -0.76 0.00 0.00 175.35 174.51 2roq s ALA 278 N 1.80 -0.39 -0.03 5.17 0.00 -1.19 -3.29 121.76 123.85 2roq s ALA 278 Ca 0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2roq s ALA 278 Cb -0.14 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2roq s ALA 278 CO -0.07 -0.62 0.09 -0.08 0.00 0.00 0.00 175.76 175.07 2roq s THR 279 N -3.89 4.82 -0.14 0.00 -1.32 -1.07 -3.37 115.64 110.68 2roq s THR 279 Ca 0.09 -0.31 -0.03 0.00 -1.21 0.00 0.00 61.69 60.24 2roq s THR 279 Cb 0.03 -3.18 0.05 0.00 -1.51 0.00 0.00 72.50 67.89 2roq s THR 279 CO -0.06 0.41 0.03 -0.22 -2.21 0.00 0.00 174.62 172.56 2roq s LEU 280 N -1.58 0.82 -0.03 9.08 2.96 -1.23 -1.89 118.68 126.81 2roq s LEU 280 Ca 0.21 -0.50 -0.20 0.00 -0.22 0.00 0.00 54.13 53.41 2roq s LEU 280 Cb -0.12 -0.47 -0.05 0.00 0.50 0.00 0.00 46.19 46.05 2roq s LEU 280 CO 0.12 -0.27 0.59 0.12 -1.32 0.00 0.00 176.35 175.59 2roq s PHE 281 N 1.95 3.64 0.38 5.38 5.36 -0.95 -3.34 117.98 130.40 2roq s PHE 281 Ca 0.02 1.15 -0.07 0.00 -0.96 0.00 0.00 56.93 57.07 2roq s PHE 281 Cb -0.15 -2.62 -0.05 0.00 -0.34 0.00 0.00 43.02 39.86 2roq s PHE 281 CO -0.07 0.29 0.69 0.54 -1.46 0.00 0.00 175.22 175.21 2roq s VAL 282 N 0.07 4.91 -0.70 3.12 0.11 -1.18 -1.52 120.40 125.21 2roq s VAL 282 Ca 0.31 0.28 0.05 0.00 -2.93 0.00 0.00 61.98 59.69 2roq s VAL 282 Cb -0.18 -3.77 0.20 0.00 -1.53 0.00 0.00 36.38 31.10 2roq s VAL 282 CO 0.16 -0.52 0.60 0.00 -3.33 0.00 0.00 175.10 172.01 2roq n ALA 283 N -1.40 3.65 0.32 1.54 0.00 -1.26 -4.23 120.51 119.13 2roq n ALA 283 Ca 0.00 -4.61 0.20 0.00 0.00 0.00 0.00 53.44 49.03 2roq n ALA 283 Cb 0.54 -1.04 1.07 0.00 0.00 0.00 0.00 19.45 20.02 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 5.06 0.00 -0.88 0.00 4.81 -1.58 -2.15 114.58 119.84 2roq h GLU 284 Ca 0.17 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.64 2roq h GLU 284 Cb 0.73 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 2roq h GLU 284 CO 0.77 0.01 0.62 0.00 -0.73 0.00 0.00 179.01 179.68 2roq h ARG 285 N 0.00 0.05 0.00 1.92 2.47 -1.80 -2.06 114.38 114.95 2roq h ARG 285 Ca -0.00 -0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 2roq h ARG 285 Cb 0.08 -0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 28.25 2roq h ARG 285 CO 0.00 0.03 -0.62 2.41 0.56 0.00 0.00 179.97 182.36 2roq n THR 286 N -4.31 0.45 -1.66 2.04 -1.04 -0.85 -4.95 114.28 103.97 2roq n THR 286 Ca 0.18 -0.94 -0.49 0.00 -2.04 0.00 0.00 64.05 60.76 2roq n THR 286 Cb 0.91 0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 69.87 2roq n THR 286 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2roq n LEU 287 N -0.12 2.73 0.14 -4.42 4.77 -0.78 -4.79 117.00 114.53 2roq n LEU 287 Ca 0.06 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2roq n LEU 287 Cb 0.84 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2roq n LEU 287 CO -0.02 -0.44 0.00 1.67 -1.33 0.00 0.00 177.39 177.27 2roq n GLN 288 N 4.16 0.00 0.13 3.23 0.00 -1.26 -4.79 117.38 118.86 2roq n GLN 288 Ca 0.20 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 57.21 2roq n GLN 288 Cb 0.25 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.52 2roq n GLN 288 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2roq h GLU 289 N 0.00 0.00 0.08 3.69 5.08 -1.97 -3.28 114.58 118.17 2roq h GLU 289 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2roq h GLU 289 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2roq h GLU 289 CO 0.00 0.55 -1.11 0.78 -1.00 0.00 0.00 179.01 178.23 2roq h GLY 290 N 3.32 0.38 -3.99 -3.84 0.00 -1.90 -3.45 103.07 93.58 2roq h GLY 290 Ca -0.01 -0.81 -0.51 0.00 0.00 0.00 0.00 47.33 46.00 2roq h GLY 290 CO 0.07 0.72 0.38 -3.16 0.00 0.00 0.00 176.54 174.55 2roq s MET 291 N -2.93 4.72 0.11 4.80 0.23 -1.24 -5.05 119.30 119.94 2roq s MET 291 Ca -0.05 1.53 -0.12 0.00 -1.03 0.00 0.00 55.69 56.02 2roq s MET 291 Cb 0.08 -3.32 0.01 0.00 -1.53 0.00 0.00 34.83 30.07 2roq s MET 291 CO 0.88 0.27 0.30 -1.54 -2.03 0.00 0.00 175.02 172.90 2roq s SER 292 N -0.39 -0.05 0.00 -1.18 1.04 -1.26 -4.86 113.70 107.00 2roq s SER 292 Ca 0.46 -0.52 -0.24 0.00 0.48 0.00 0.00 55.95 56.13 2roq s SER 292 Cb -0.26 0.41 -0.18 0.00 0.10 0.00 0.00 66.02 66.10 2roq s SER 292 CO 0.32 -0.81 1.30 1.55 0.98 0.00 0.00 173.24 176.58 2roq h PRO 293 N 2.55 0.15 -5.73 4.02 0.13 -2.01 -3.46 132.00 127.65 2roq h PRO 293 Ca -0.34 -0.08 -0.59 0.00 -0.87 0.00 0.00 66.00 64.13 2roq h PRO 293 Cb 1.23 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 2roq h PRO 293 CO 0.51 0.60 -0.65 -2.00 -0.23 0.00 0.00 178.00 176.22 2roq s GLU 294 N -4.27 1.79 0.45 0.86 2.12 -1.26 -5.14 118.70 113.25 2roq s GLU 294 Ca -0.15 -1.95 -0.16 0.00 0.36 0.00 0.00 54.97 53.07 2roq s GLU 294 Cb 0.03 -1.52 -0.08 0.00 0.26 0.00 0.00 34.13 32.82 2roq s GLU 294 CO 0.71 0.05 0.90 -0.98 -0.54 0.00 0.00 175.26 175.40 2roq s ARG 295 N -3.68 3.99 -0.01 4.30 1.70 -1.26 -4.99 118.95 119.00 2roq s ARG 295 Ca 0.33 0.85 0.04 0.00 -0.47 0.00 0.00 55.73 56.48 2roq s ARG 295 Cb 0.05 -2.24 -0.06 0.00 -0.57 0.00 0.00 34.95 32.13 2roq s ARG 295 CO 0.16 -0.11 0.08 0.00 -1.08 0.00 0.00 175.30 174.35 2roq n ALA 296 N -1.14 2.13 -2.42 7.88 0.00 -1.26 -5.10 120.51 120.60 2roq n ALA 296 Ca 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 2roq n ALA 296 Cb 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.68 -3.72 -3.25 0.00 7.02 -1.26 -5.03 117.44 109.53 2roq n TRP 297 Ca -0.01 2.11 -0.24 0.00 -1.02 0.00 0.00 57.50 58.33 2roq n TRP 297 Cb 0.15 -3.55 -0.08 0.00 -2.42 0.00 0.00 31.31 25.41 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 1.31 -0.23 -4.67 -0.99 7.64 -1.26 -5.11 113.62 110.31 2roq n SER 298 Ca -0.31 -2.59 -0.42 0.00 1.01 0.00 0.00 58.87 56.55 2roq n SER 298 Cb 0.49 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2roq n SER 298 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2roq s PRO 299 N -0.62 4.23 0.35 1.43 0.04 -1.26 -4.98 135.00 134.18 2roq s PRO 299 Ca 0.34 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.34 2roq s PRO 299 Cb 0.12 -3.78 0.02 0.00 0.04 0.00 0.00 34.50 30.90 2roq s PRO 299 CO -0.15 -0.72 0.55 0.91 0.04 0.00 0.00 177.00 177.63 2roq n TRP 300 N 6.34 -1.67 -1.13 0.56 7.02 -1.26 -5.14 117.44 122.16 2roq n TRP 300 Ca 0.15 -2.13 0.13 0.00 -1.02 0.00 0.00 57.50 54.63 2roq n TRP 300 Cb 0.43 0.63 -0.07 0.00 -2.42 0.00 0.00 31.31 29.88 2roq n TRP 300 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2roq n ILE 301 N -0.54 -0.85 0.03 -0.99 2.08 -1.26 -4.82 119.36 113.00 2roq n ILE 301 Ca -0.02 0.78 -0.03 0.00 0.56 0.00 0.00 62.75 64.04 2roq n ILE 301 Cb 0.57 -1.18 -0.01 0.00 -0.75 0.00 0.00 39.64 38.26 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2roq h ALA 302 N -1.03 -0.19 -1.34 -1.39 0.00 -1.90 -3.48 119.26 109.93 2roq h ALA 302 Ca -0.15 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.86 2roq h ALA 302 Cb 1.06 0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 2roq h ALA 302 CO 0.06 -0.18 0.06 -1.21 0.00 0.00 0.00 179.25 177.98 2roq s GLU 303 N -2.08 0.41 0.22 0.00 2.02 -1.11 -5.06 118.70 113.10 2roq s GLU 303 Ca -0.03 1.00 -0.00 0.00 0.02 0.00 0.00 54.97 55.96 2roq s GLU 303 Cb 0.00 0.60 -0.04 0.00 0.10 0.00 0.00 34.13 34.79 2roq s GLU 303 CO 0.08 -0.17 0.12 -0.48 0.02 0.00 0.00 175.26 174.82 2roq s LEU 304 N 2.67 1.34 -0.47 1.80 2.34 -1.26 -3.14 118.68 121.96 2roq s LEU 304 Ca -0.02 -1.38 0.03 0.00 0.06 0.00 0.00 54.13 52.82 2roq s LEU 304 Cb -0.09 0.26 0.13 0.00 -0.56 0.00 0.00 46.19 45.92 2roq s LEU 304 CO -0.18 -0.80 0.22 -1.81 -1.06 0.00 0.00 176.35 172.72 2roq s ASP 305 N -3.21 4.21 0.43 1.48 1.11 -1.22 -5.02 116.67 114.46 2roq s ASP 305 Ca 0.38 -2.76 -0.21 0.00 0.18 0.00 0.00 52.55 50.14 2roq s ASP 305 Cb 0.07 -1.47 -0.11 0.00 1.07 0.00 0.00 42.92 42.49 2roq s ASP 305 CO 0.12 -0.27 0.95 0.27 1.18 0.00 0.00 175.17 177.42 2roq s ILE 306 N 0.08 4.41 0.19 0.77 -0.00 -1.26 -3.56 121.20 121.83 2roq s ILE 306 Ca 0.16 1.46 0.06 0.00 -0.00 0.00 0.00 60.65 62.33 2roq s ILE 306 Cb -0.24 -3.61 -0.05 0.00 -0.00 0.00 0.00 42.46 38.56 2roq s ILE 306 CO -0.02 -0.34 -0.10 -0.47 -0.00 0.00 0.00 174.94 174.01 2roq s TYR 307 N -2.21 1.52 -0.32 1.37 6.14 -1.21 -5.02 117.35 117.62 2roq s TYR 307 Ca 0.62 -0.70 0.03 0.00 0.64 0.00 0.00 57.07 57.65 2roq s TYR 307 Cb -0.09 -0.77 0.09 0.00 0.42 0.00 0.00 41.96 41.62 2roq s TYR 307 CO 0.14 0.19 0.04 1.03 0.64 0.00 0.00 175.55 177.59 2roq s ARG 308 N -3.72 1.38 -0.12 4.97 0.52 -1.26 -3.10 118.95 117.62 2roq s ARG 308 Ca 0.21 -1.59 -0.12 0.00 -0.52 0.00 0.00 55.73 53.71 2roq s ARG 308 Cb 0.02 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.65 2roq s ARG 308 CO 0.05 -0.90 0.33 -1.14 0.02 0.00 0.00 175.30 173.66 2roq s GLN 309 N 1.11 0.40 -0.89 3.54 2.00 -1.26 -5.04 119.66 119.53 2roq s GLN 309 Ca 0.08 0.44 -0.22 0.00 -2.00 0.00 0.00 55.36 53.65 2roq s GLN 309 Cb -0.19 0.19 0.07 0.00 0.80 0.00 0.00 33.01 33.89 2roq s GLN 309 CO -0.11 -0.05 1.24 0.16 -0.50 0.00 0.00 175.29 176.03 2roq s ASP 310 N 0.12 6.43 -0.17 6.67 -4.77 -1.26 -1.68 116.67 122.00 2roq s ASP 310 Ca -0.01 -1.39 -0.07 0.00 -3.30 0.00 0.00 52.55 47.78 2roq s ASP 310 Cb -0.02 -2.49 0.07 0.00 -1.09 0.00 0.00 42.92 39.39 2roq s ASP 310 CO 0.01 -1.42 0.38 0.00 0.70 0.00 0.00 175.17 174.84 2roq s ALA 312 N 2.06 2.78 0.64 0.00 0.00 -1.26 -4.55 121.76 121.44 2roq s ALA 312 Ca -0.05 0.46 0.39 0.00 0.00 0.00 0.00 51.96 52.76 2roq s ALA 312 Cb -0.11 -3.24 2.16 0.00 0.00 0.00 0.00 23.12 21.93 2roq s ALA 312 CO -0.12 -0.66 2.28 1.12 0.00 0.00 0.00 175.76 178.38 2roq h HIS 313 N 0.77 0.00 -0.00 0.00 2.07 -1.97 0.51 115.15 116.53 2roq h HIS 313 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2roq h HIS 313 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 2roq h HIS 313 CO 0.58 0.00 -0.91 1.33 -3.07 0.00 0.00 177.93 175.86 2roq n VAL 314 N -3.30 0.00 -1.77 6.12 0.24 -1.26 -4.33 118.33 114.02 2roq n VAL 314 Ca -0.03 -0.05 0.06 0.00 -2.04 0.00 0.00 64.34 62.28 2roq n VAL 314 Cb 0.12 1.01 0.13 0.00 -1.47 0.00 0.00 33.84 33.63 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 -1.40 1.48 -0.00 -1.34 2.03 0.29 -4.68 116.55 112.92 2roq n ASP 315 Ca 0.04 -3.09 0.04 0.00 0.52 0.00 0.00 54.79 52.30 2roq n ASP 315 Cb 0.31 -0.42 -0.05 0.00 -0.72 0.00 0.00 41.12 40.24 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ILE 316 N -0.66 0.00 0.32 5.18 3.06 0.15 -4.28 119.36 123.13 2roq n ILE 316 Ca 0.13 -0.20 0.15 0.00 -2.50 0.00 0.00 62.75 60.34 2roq n ILE 316 Cb 0.80 0.45 0.67 0.00 0.54 0.00 0.00 39.64 42.10 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 -3.70 9.51 6.09 -1.81 -3.41 117.51 124.18 2roq h ILE 317 Ca 0.00 -0.29 -0.50 0.00 -1.37 0.00 0.00 64.86 62.69 2roq h ILE 317 Cb 0.30 1.14 0.21 0.00 0.47 0.00 0.00 36.82 38.94 2roq h ILE 317 CO 0.00 0.00 -0.14 -0.24 -3.07 0.00 0.00 178.15 174.70 2roq n SER 318 N -2.68 -0.88 0.00 2.19 2.88 -1.26 -4.85 113.62 109.01 2roq n SER 318 Ca 0.01 0.25 0.07 0.00 -1.33 0.00 0.00 58.87 57.87 2roq n SER 318 Cb 0.22 -1.33 0.38 0.00 -0.75 0.00 0.00 64.21 62.73 2roq n SER 318 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2roq n PRO 319 N -3.51 0.23 0.28 -1.46 -0.04 -1.26 -3.61 135.00 125.63 2roq n PRO 319 Ca 0.08 0.14 -0.11 0.00 -0.04 0.00 0.00 63.50 63.56 2roq n PRO 319 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.77 1.11 0.55 0.00 -1.89 -1.33 103.07 103.18 2roq h GLY 320 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.53 2roq h GLY 320 CO 0.00 -0.28 0.06 -0.84 0.00 0.00 0.00 176.54 175.48 2roq h THR 321 N -0.93 1.26 -0.67 4.70 2.02 -1.80 -2.06 112.91 115.44 2roq h THR 321 Ca -0.08 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.04 2roq h THR 321 Cb 0.57 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2roq h THR 321 CO 0.12 0.40 0.44 -0.26 0.37 0.00 0.00 175.52 176.60 2roq h PHE 322 N 1.00 0.82 0.00 3.16 0.04 -1.64 -1.41 116.94 118.91 2roq h PHE 322 Ca 0.19 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.82 2roq h PHE 322 Cb 0.49 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 2roq h PHE 322 CO 0.03 0.50 -0.74 0.93 -0.60 0.00 0.00 178.31 178.43 2roq h GLU 323 N 0.87 0.00 -0.37 1.51 4.39 -0.94 -3.25 114.58 116.80 2roq h GLU 323 Ca 0.25 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.85 2roq h GLU 323 Cb -0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2roq h GLU 323 CO -0.06 0.74 -0.17 0.87 -1.16 0.00 0.00 179.01 179.24 2roq h LYS 324 N 0.00 0.76 -2.70 2.33 1.57 -0.58 -3.29 116.57 114.66 2roq h LYS 324 Ca -0.01 -0.33 -0.80 0.00 -1.87 0.00 0.00 60.65 57.64 2roq h LYS 324 Cb 1.38 -0.02 -0.25 0.00 0.08 0.00 0.00 32.23 33.42 2roq h LYS 324 CO 0.10 0.94 1.11 0.44 -0.57 0.00 0.00 179.45 181.47 2roq n ILE 325 N -4.30 5.55 0.00 1.86 -5.35 -0.72 -4.75 119.36 111.65 2roq n ILE 325 Ca -0.02 -5.71 0.00 0.00 -0.27 0.00 0.00 62.75 56.75 2roq n ILE 325 Cb 0.40 -1.90 0.00 0.00 -1.74 0.00 0.00 39.64 36.40 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 0.96 -0.48 0.00 3.28 0.00 -1.24 -3.78 105.19 103.92 2roq n GLY 326 Ca 0.38 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.26 0.15 -0.03 1.61 -0.04 -1.26 -1.66 135.00 131.50 2roq n PRO 327 Ca 0.00 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 2roq n PRO 327 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 2roq n PRO 327 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2roq n ILE 328 N -1.35 1.60 -0.01 0.52 0.00 -1.26 -3.40 119.36 115.46 2roq n ILE 328 Ca 0.06 -0.77 -0.10 0.00 0.00 0.00 0.00 62.75 61.93 2roq n ILE 328 Cb 0.13 -1.07 -0.14 0.00 0.00 0.00 0.00 39.64 38.56 2roq n ILE 328 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 2roq h ILE 329 N 0.01 0.92 -0.10 9.51 2.10 -1.58 -3.13 117.51 125.25 2roq h ILE 329 Ca -0.36 -2.74 -0.07 0.00 1.08 0.00 0.00 64.86 62.77 2roq h ILE 329 Cb 2.05 2.49 0.00 0.00 -1.09 0.00 0.00 36.82 40.27 2roq h ILE 329 CO 0.07 0.60 -0.20 -0.09 -1.08 0.00 0.00 178.15 177.45 2roq h ARG 330 N 0.01 0.32 -0.55 2.19 9.65 -1.50 -2.13 114.38 122.36 2roq h ARG 330 Ca -0.27 -0.20 -0.09 0.00 -1.10 0.00 0.00 59.98 58.31 2roq h ARG 330 Cb 1.99 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 30.58 2roq h ARG 330 CO 0.09 0.79 -0.02 0.00 2.80 0.00 0.00 179.97 183.64 2roq h ALA 331 N 0.52 0.75 -0.46 2.80 0.00 -1.73 0.41 119.26 121.55 2roq h ALA 331 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2roq h ALA 331 Cb 0.78 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2roq h ALA 331 CO 0.04 0.59 0.20 1.79 0.00 0.00 0.00 179.25 181.88 2roq h THR 332 N 0.87 1.20 0.00 0.00 1.35 -1.58 -0.22 112.91 114.53 2roq h THR 332 Ca 0.15 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 2roq h THR 332 Cb 0.57 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2roq h THR 332 CO 0.03 0.22 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.39 2roq h LEU 333 N 0.60 0.00 0.00 3.87 3.38 -1.30 -2.09 115.31 119.77 2roq h LEU 333 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2roq h LEU 333 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2roq h LEU 333 CO -0.02 0.07 -0.42 0.78 0.09 0.00 0.00 178.44 178.94 2roq h ASN 334 N 0.00 0.00 0.25 -0.43 -0.26 -0.42 -2.06 115.58 112.67 2roq h ASN 334 Ca -0.00 -0.03 -0.25 0.00 -0.56 0.00 0.00 56.30 55.46 2roq h ASN 334 Cb 0.85 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.07 2roq h ASN 334 CO 0.01 0.02 -1.97 -2.11 -1.06 0.00 0.00 177.43 172.31 2roq n ARG 335 N -2.70 0.66 0.06 0.81 1.85 -0.14 -4.23 116.66 112.97 2roq n ARG 335 Ca 0.03 0.06 0.11 0.00 -1.00 0.00 0.00 57.85 57.06 2roq n ARG 335 Cb 0.51 -1.63 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 2roq n ARG 335 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2roq n LEU 336 N -2.75 0.64 -0.26 2.89 -0.00 -0.80 -4.13 117.00 112.59 2roq n LEU 336 Ca -0.20 0.19 0.25 0.00 -0.00 0.00 0.00 56.01 56.24 2roq n LEU 336 Cb 0.97 -0.07 0.59 0.00 -0.00 0.00 0.00 43.42 44.91 2roq n LEU 336 CO 0.44 -0.09 1.24 1.05 -0.00 0.00 0.00 177.39 180.03 2roq h GLU 337 N 0.00 0.25 -1.37 1.47 -0.00 -1.54 -3.39 114.58 109.99 2roq h GLU 337 Ca 0.00 -0.01 0.11 0.00 -0.00 0.00 0.00 59.36 59.46 2roq h GLU 337 Cb 0.92 -0.06 -0.21 0.00 -0.00 0.00 0.00 28.75 29.40 2roq h GLU 337 CO 0.00 0.16 -0.10 -1.58 -0.00 0.00 0.00 179.01 177.50 2roq s HIS 338 N -5.28 -1.26 -0.12 2.06 5.04 -1.26 -5.02 115.29 109.45 2roq s HIS 338 Ca -0.07 1.80 0.20 0.00 -1.54 0.00 0.00 55.06 55.45 2roq s HIS 338 Cb 0.23 0.61 0.41 0.00 0.04 0.00 0.00 32.58 33.87 2roq s HIS 338 CO 0.79 -0.65 1.60 1.12 -2.34 0.00 0.00 174.74 175.26 2roq h HIS 339 N 7.92 0.00 -0.93 3.88 2.07 -1.78 -3.23 115.15 123.08 2roq h HIS 339 Ca -0.19 0.00 0.20 0.00 -2.85 0.00 0.00 60.37 57.53 2roq h HIS 339 Cb 1.13 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.03 2roq h HIS 339 CO 0.14 0.31 0.60 1.25 -3.07 0.00 0.00 177.93 177.16 2roq h HIS 340 N 0.00 0.65 -1.31 6.12 6.17 -1.95 -3.45 115.15 121.39 2roq h HIS 340 Ca -0.00 0.02 0.31 0.00 0.71 0.00 0.00 60.37 61.41 2roq h HIS 340 Cb 1.10 -0.20 -0.17 0.00 2.52 0.00 0.00 27.41 30.66 2roq h HIS 340 CO 0.00 0.17 0.88 -3.38 0.71 0.00 0.00 177.93 176.31 2roq s HIS 341 N -5.52 -0.06 0.64 5.26 0.00 -1.22 -5.18 115.29 109.21 2roq s HIS 341 Ca -0.09 0.02 0.05 0.00 -3.00 0.00 0.00 55.06 52.04 2roq s HIS 341 Cb 0.23 0.52 0.10 0.00 -4.00 0.00 0.00 32.58 29.43 2roq s HIS 341 CO 0.79 -0.15 0.88 -3.38 -1.00 0.00 0.00 174.74 171.88 2roq s HIS 342 N -2.28 1.51 -2.03 0.38 0.00 -1.26 -4.66 115.29 106.96 2roq s HIS 342 Ca 0.12 -0.52 0.32 0.00 -3.00 0.00 0.00 55.06 51.98 2roq s HIS 342 Cb 0.02 -2.57 1.87 0.00 -4.00 0.00 0.00 32.58 27.89 2roq s HIS 342 CO -0.04 -1.40 2.20 1.58 -1.00 0.00 0.00 174.74 176.08