#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 -1.05 0.00 -0.89 -0.00 -1.26 -5.14 117.00 108.66 2roq n LEU 2 Ca 0.00 -4.14 -0.30 0.00 -0.00 0.00 0.00 56.01 51.57 2roq n LEU 2 Cb 0.00 0.71 0.25 0.00 -0.00 0.00 0.00 43.42 44.38 2roq n LEU 2 CO 0.00 2.04 0.60 -0.81 -0.00 0.00 0.00 177.39 179.22 2roq n PRO 3 N 1.56 -3.15 -2.70 1.96 -0.04 -1.26 -5.00 135.00 126.38 2roq n PRO 3 Ca 0.17 -1.74 -0.40 0.00 -0.04 0.00 0.00 63.50 61.48 2roq n PRO 3 Cb 0.57 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 2roq n PRO 3 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2roq s GLU 4 N -5.47 4.78 0.31 0.54 2.12 -1.26 -4.95 118.70 114.77 2roq s GLU 4 Ca 0.71 1.53 0.19 0.00 0.36 0.00 0.00 54.97 57.76 2roq s GLU 4 Cb -0.07 -3.29 0.14 0.00 0.26 0.00 0.00 34.13 31.17 2roq s GLU 4 CO 0.54 0.38 1.40 1.25 -0.54 0.00 0.00 175.26 178.29 2roq h LEU 5 N 4.51 0.00 -2.15 2.70 6.46 -2.07 -3.49 115.31 121.27 2roq h LEU 5 Ca -0.45 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2roq h LEU 5 Cb 1.20 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 41.02 2roq h LEU 5 CO 0.69 0.25 -1.34 0.29 -0.62 0.00 0.00 178.44 177.71 2roq n LYS 6 N -3.08 -3.92 -1.78 1.25 5.02 -1.26 -5.09 118.16 109.30 2roq n LYS 6 Ca 0.01 3.02 0.00 0.00 -2.02 0.00 0.00 58.31 59.33 2roq n LYS 6 Cb 0.64 -4.42 0.00 0.00 -0.02 0.00 0.00 35.03 31.23 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2roq n ALA 7 N 1.44 0.00 -3.07 7.82 0.00 -1.26 -5.18 120.51 120.26 2roq n ALA 7 Ca -0.35 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 2roq n ALA 7 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.00 2roq n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n GLN 8 N 0.00 0.96 -3.64 0.00 10.64 -1.26 -5.09 117.38 118.99 2roq n GLN 8 Ca 0.00 -0.71 -0.02 0.00 -1.83 0.00 0.00 57.00 54.44 2roq n GLN 8 Cb 0.00 -0.04 -0.02 0.00 -0.86 0.00 0.00 30.24 29.32 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2roq s ALA 9 N -2.16 -2.22 -1.59 2.61 0.00 -1.26 -5.00 121.76 112.14 2roq s ALA 9 Ca 0.13 1.87 0.15 0.00 0.00 0.00 0.00 51.96 54.11 2roq s ALA 9 Cb -0.01 -0.37 0.80 0.00 0.00 0.00 0.00 23.12 23.54 2roq s ALA 9 CO 0.08 -0.57 1.39 -0.35 0.00 0.00 0.00 175.76 176.31 2roq n PRO 10 N -0.03 0.29 -3.15 0.00 -0.04 -1.26 -4.39 135.00 126.42 2roq n PRO 10 Ca 0.05 0.10 0.04 0.00 -0.04 0.00 0.00 63.50 63.65 2roq n PRO 10 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2roq n PRO 10 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2roq s GLY 11 N -2.41 -0.95 0.89 0.55 0.00 -1.26 -4.17 107.32 99.97 2roq s GLY 11 Ca 0.17 1.91 -0.12 0.00 0.00 0.00 0.00 44.72 46.68 2roq s GLY 11 CO 0.21 3.43 1.11 1.09 0.00 0.00 0.00 173.10 178.94 2roq s ARG 12 N 2.87 1.34 0.27 2.90 1.04 -1.26 -4.97 118.95 121.14 2roq s ARG 12 Ca 0.19 0.57 0.00 0.00 -1.04 0.00 0.00 55.73 55.44 2roq s ARG 12 Cb -0.14 -1.84 0.00 0.00 -2.04 0.00 0.00 34.95 30.93 2roq s ARG 12 CO -0.20 -2.12 0.00 0.00 -0.04 0.00 0.00 175.30 172.94 2roq n ALA 13 N -3.76 0.00 -0.02 7.88 0.00 -1.26 -4.99 120.51 118.35 2roq n ALA 13 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 2roq n ALA 13 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 2roq n ALA 13 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2roq h PRO 14 N 0.00 0.07 -5.60 0.00 0.13 -2.01 -3.49 132.00 121.10 2roq h PRO 14 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2roq h PRO 14 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2roq h PRO 14 CO 0.00 0.54 -1.00 1.63 -0.23 0.00 0.00 178.00 178.94 2roq n LYS 15 N -4.80 -2.44 0.36 0.86 5.02 -1.26 -4.93 118.16 110.97 2roq n LYS 15 Ca -0.08 2.12 -0.15 0.00 -2.02 0.00 0.00 58.31 58.17 2roq n LYS 15 Cb 0.27 -3.60 -0.08 0.00 -0.02 0.00 0.00 35.03 31.61 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2roq h ALA 16 N 3.52 -0.94 0.00 7.82 0.00 -1.95 -3.40 119.26 124.31 2roq h ALA 16 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2roq h ALA 16 Cb 0.48 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2roq h ALA 16 CO 0.05 -0.90 0.00 0.41 0.00 0.00 0.00 179.25 178.81 2roq n GLY 17 N -0.77 0.00 0.19 0.00 0.00 -1.26 -4.81 105.19 98.54 2roq n GLY 17 Ca -0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2roq n GLY 17 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2roq h SER 18 N 0.00 0.40 0.77 1.61 4.64 -1.94 -2.75 113.55 116.28 2roq h SER 18 Ca 0.00 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2roq h SER 18 Cb 0.00 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2roq h SER 18 CO 0.00 0.89 -1.24 -0.62 -0.87 0.00 0.00 176.83 174.99 2roq n GLU 19 N -3.92 0.62 0.06 4.77 1.02 -1.26 -4.05 120.64 117.88 2roq n GLU 19 Ca -0.03 0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 2roq n GLU 19 Cb 0.60 -1.76 0.06 0.00 -0.02 0.00 0.00 31.44 30.33 2roq n GLU 19 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2roq h THR 20 N 0.00 1.39 -0.36 2.62 2.02 -1.76 0.43 112.91 117.25 2roq h THR 20 Ca -0.00 -2.10 -0.09 0.00 0.77 0.00 0.00 66.41 64.99 2roq h THR 20 Cb 1.01 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 2roq h THR 20 CO 0.00 0.62 -0.12 0.16 0.37 0.00 0.00 175.52 176.55 2roq h ILE 21 N 0.23 1.28 0.05 3.11 -0.00 -1.63 -2.16 117.51 118.39 2roq h ILE 21 Ca -0.02 -1.22 -0.00 0.00 -0.00 0.00 0.00 64.86 63.62 2roq h ILE 21 Cb 1.23 1.32 0.00 0.00 -0.00 0.00 0.00 36.82 39.36 2roq h ILE 21 CO 0.11 0.40 -0.03 0.16 -0.00 0.00 0.00 178.15 178.80 2roq h ILE 22 N 0.51 1.04 -0.77 0.16 3.07 -1.69 -2.28 117.51 117.54 2roq h ILE 22 Ca 0.09 -1.58 0.18 0.00 1.55 0.00 0.00 64.86 65.09 2roq h ILE 22 Cb 0.65 1.88 -0.12 0.00 -0.27 0.00 0.00 36.82 38.96 2roq h ILE 22 CO 0.04 0.32 0.18 0.00 -1.05 0.00 0.00 178.15 177.64 2roq h ALA 23 N -0.33 1.01 -0.02 0.16 0.00 -1.01 0.32 119.26 119.40 2roq h ALA 23 Ca -0.01 0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 23 Cb 0.58 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2roq h ALA 23 CO 0.01 -0.37 -0.64 0.00 0.00 0.00 0.00 179.25 178.25 2roq h ALA 24 N 1.66 0.90 0.00 0.00 0.00 -1.50 -2.24 119.26 118.08 2roq h ALA 24 Ca 0.45 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2roq h ALA 24 Cb 0.80 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2roq h ALA 24 CO -0.56 0.78 -0.43 0.00 0.00 0.00 0.00 179.25 179.05 2roq h ALA 25 N 1.30 1.14 0.06 0.00 0.00 0.10 -1.20 119.26 120.66 2roq h ALA 25 Ca -0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2roq h ALA 25 Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2roq h ALA 25 CO 0.09 0.54 -0.62 0.74 0.00 0.00 0.00 179.25 180.00 2roq h PHE 26 N 0.00 0.24 0.00 0.00 0.04 -0.64 -2.19 116.94 114.39 2roq h PHE 26 Ca -0.00 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.59 2roq h PHE 26 Cb 0.84 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.98 2roq h PHE 26 CO 0.00 1.24 0.00 -1.13 -0.60 0.00 0.00 178.31 177.82 2roq n SER 27 N -4.33 0.10 -0.09 2.17 3.41 -0.85 -0.78 113.62 113.24 2roq n SER 27 Ca -0.16 0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 2roq n SER 27 Cb 0.67 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.93 2roq n SER 27 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2roq n SER 28 N -1.61 0.53 -0.05 4.04 2.88 -0.46 0.82 113.62 119.78 2roq n SER 28 Ca 0.04 0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2roq n SER 28 Cb 0.21 0.57 -0.01 0.00 -0.75 0.00 0.00 64.21 64.23 2roq n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2roq n LEU 29 N -2.90 1.19 -0.35 2.46 4.77 -0.82 -4.40 117.00 116.95 2roq n LEU 29 Ca -0.34 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2roq n LEU 29 Cb 1.11 -0.74 0.31 0.00 -2.33 0.00 0.00 43.42 41.77 2roq n LEU 29 CO 0.40 -0.48 1.20 -0.07 -1.33 0.00 0.00 177.39 177.11 2roq h LEU 30 N -0.66 0.80 0.00 2.23 3.38 -1.17 -3.45 115.31 116.44 2roq h LEU 30 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2roq h LEU 30 Cb 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2roq h LEU 30 CO 0.00 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2roq n GLY 31 N -1.33 1.50 1.87 0.83 0.00 -1.24 -5.07 105.19 101.76 2roq n GLY 31 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.75 -4.59 -4.59 0.00 -0.08 -1.26 -4.84 116.55 99.44 2roq n ASP 33 Ca 0.00 0.04 -0.43 0.00 -1.51 0.00 0.00 54.79 52.89 2roq n ASP 33 Cb 0.18 -2.21 -0.02 0.00 2.34 0.00 0.00 41.12 41.40 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2roq s VAL 34 N -1.58 4.20 0.49 5.18 1.01 -1.26 -4.89 120.40 123.55 2roq s VAL 34 Ca 0.00 1.06 0.20 0.00 0.00 0.00 0.00 61.98 63.24 2roq s VAL 34 Cb 0.00 -4.61 0.36 0.00 0.00 0.00 0.00 36.38 32.13 2roq s VAL 34 CO 0.00 -1.07 2.00 -0.61 0.00 0.00 0.00 175.10 175.43 2roq h GLN 35 N 9.29 0.16 0.00 2.72 4.15 -1.98 -3.46 115.11 125.98 2roq h GLN 35 Ca -0.24 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.33 2roq h GLN 35 Cb 1.06 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.68 2roq h GLN 35 CO 1.13 0.10 -0.21 -0.25 -1.93 0.00 0.00 178.83 177.67 2roq n ASP 36 N -4.44 -6.73 0.00 -0.69 8.00 -1.26 -4.16 116.55 107.27 2roq n ASP 36 Ca 0.08 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.22 2roq n ASP 36 Cb 0.46 -1.80 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2roq n ALA 37 N -0.94 0.00 -2.30 2.24 0.00 -1.26 -3.74 120.51 114.52 2roq n ALA 37 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 2roq n ALA 37 Cb 0.27 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.79 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 2.86 2.39 -4.60 0.00 5.75 -1.26 -2.15 116.55 119.54 2roq n ASP 38 Ca 0.00 -2.86 -0.39 0.00 -0.01 0.00 0.00 54.79 51.53 2roq n ASP 38 Cb 0.00 -0.41 -0.10 0.00 -1.03 0.00 0.00 41.12 39.58 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 -2.80 3.55 0.02 2.12 0.00 -1.25 -4.93 121.76 118.48 2roq s ALA 39 Ca 0.37 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 2roq s ALA 39 Cb 0.37 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 2roq s ALA 39 CO -0.05 -0.64 0.74 -0.51 0.00 0.00 0.00 175.76 175.29 2roq s ASP 40 N 1.67 7.15 0.15 0.00 1.01 -1.26 -3.66 116.67 121.72 2roq s ASP 40 Ca 0.13 1.37 -0.29 0.00 0.71 0.00 0.00 52.55 54.47 2roq s ASP 40 Cb -0.16 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2roq s ASP 40 CO 0.10 -0.00 1.56 -0.26 0.21 0.00 0.00 175.17 176.78 2roq h PHE 41 N 5.89 -1.40 0.00 4.23 -1.00 -1.86 0.44 116.94 123.23 2roq h PHE 41 Ca -0.43 0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.42 2roq h PHE 41 Cb 1.20 0.67 -0.00 0.00 3.61 0.00 0.00 35.95 41.43 2roq h PHE 41 CO 0.65 -0.46 -0.01 0.74 -1.61 0.00 0.00 178.31 177.62 2roq h PHE 42 N -0.35 0.00 0.00 -0.55 0.04 -1.81 -0.63 116.94 113.65 2roq h PHE 42 Ca 0.12 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.74 2roq h PHE 42 Cb 0.59 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 2roq h PHE 42 CO -0.66 0.01 -0.73 0.00 -0.60 0.00 0.00 178.31 176.33 2roq h ALA 43 N 1.99 0.80 0.09 2.45 0.00 -0.60 -3.21 119.26 120.78 2roq h ALA 43 Ca -0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 54.91 53.98 2roq h ALA 43 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2roq h ALA 43 CO 0.00 0.91 -1.27 -0.07 0.00 0.00 0.00 179.25 178.82 2roq h LEU 44 N 0.00 0.30 0.00 0.00 3.38 0.95 -3.47 115.31 116.47 2roq h LEU 44 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2roq h LEU 44 Cb 1.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2roq h LEU 44 CO 0.09 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2roq n GLY 45 N 1.52 0.98 3.76 0.83 0.00 -0.41 -5.09 105.19 106.78 2roq n GLY 45 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.60 2.01 -0.30 -0.02 0.00 -0.94 -4.91 107.32 101.56 2roq s GLY 46 Ca 0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 44.72 43.83 2roq s GLY 46 CO 0.00 -0.33 1.21 -1.58 0.00 0.00 0.00 173.10 172.40 2roq s HIS 47 N -0.65 -0.16 -1.02 1.90 2.46 -1.26 -4.57 115.29 111.99 2roq s HIS 47 Ca 0.12 0.19 -0.04 0.00 0.47 0.00 0.00 55.06 55.79 2roq s HIS 47 Cb -0.12 0.06 0.03 0.00 -0.13 0.00 0.00 32.58 32.43 2roq s HIS 47 CO 0.02 -0.09 0.21 0.00 -2.47 0.00 0.00 174.74 172.42 2roq n ALA 48 N 5.33 -0.94 -0.06 1.58 0.00 -1.26 -4.63 120.51 120.53 2roq n ALA 48 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2roq n ALA 48 Cb 0.55 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2roq n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 49 N -3.17 0.00 -0.04 0.00 4.77 -1.26 -4.62 117.00 112.68 2roq n LEU 49 Ca -0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 2roq n LEU 49 Cb 0.56 0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 41.62 2roq n LEU 49 CO 0.30 -0.47 -0.78 0.00 -1.33 0.00 0.00 177.39 175.12 2roq n LEU 50 N -2.40 1.22 -0.08 2.23 -0.00 -1.26 -3.73 117.00 112.98 2roq n LEU 50 Ca 0.00 0.25 0.21 0.00 -0.00 0.00 0.00 56.01 56.46 2roq n LEU 50 Cb 0.00 -0.11 0.65 0.00 -0.00 0.00 0.00 43.42 43.96 2roq n LEU 50 CO 0.00 0.55 1.21 0.00 -0.00 0.00 0.00 177.39 179.14 2roq h ALA 51 N 0.73 2.47 0.04 1.47 0.00 -1.90 0.41 119.26 122.49 2roq h ALA 51 Ca -0.39 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2roq h ALA 51 Cb 2.06 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 2roq h ALA 51 CO 0.06 -0.66 -0.63 1.98 0.00 0.00 0.00 179.25 180.01 2roq h MET 52 N 0.11 0.09 -0.37 0.00 1.85 -1.93 -2.29 114.93 112.39 2roq h MET 52 Ca 0.32 -0.15 -0.02 0.00 -0.61 0.00 0.00 59.70 59.24 2roq h MET 52 Cb 1.11 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.18 2roq h MET 52 CO -0.04 1.07 0.15 0.87 -0.40 0.00 0.00 176.91 178.57 2roq h LYS 53 N -0.78 0.51 0.04 0.39 1.57 -1.47 -2.19 116.57 114.64 2roq h LYS 53 Ca -0.15 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2roq h LYS 53 Cb 1.30 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2roq h LYS 53 CO -0.01 0.42 -0.02 1.25 -0.57 0.00 0.00 179.45 180.52 2roq h LEU 54 N 0.51 -0.05 -0.56 2.94 6.46 -0.33 -2.17 115.31 122.11 2roq h LEU 54 Ca 0.13 -0.58 0.11 0.00 -0.12 0.00 0.00 57.88 57.41 2roq h LEU 54 Cb 0.09 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 39.92 2roq h LEU 54 CO -0.01 0.69 -0.29 0.00 -0.62 0.00 0.00 178.44 178.21 2roq h ALA 55 N -0.25 0.05 -0.04 1.25 0.00 -1.31 0.34 119.26 119.30 2roq h ALA 55 Ca -0.01 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2roq h ALA 55 Cb 0.63 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2roq h ALA 55 CO 0.01 -0.62 -0.42 0.00 0.00 0.00 0.00 179.25 178.22 2roq h ALA 56 N 1.11 1.22 -0.48 0.00 0.00 -1.53 -2.24 119.26 117.34 2roq h ALA 56 Ca 0.24 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2roq h ALA 56 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2roq h ALA 56 CO -0.65 0.56 0.00 0.37 0.00 0.00 0.00 179.25 179.54 2roq h GLN 57 N 0.08 0.85 -0.13 0.00 4.15 0.02 -2.22 115.11 117.85 2roq h GLN 57 Ca 0.00 -0.27 -0.06 0.00 0.77 0.00 0.00 58.65 59.10 2roq h GLN 57 Cb 0.78 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 2roq h GLN 57 CO 0.06 0.89 -0.13 -0.07 -1.93 0.00 0.00 178.83 177.65 2roq h LEU 58 N 0.70 0.35 -2.13 -2.39 3.38 -0.36 0.21 115.31 115.06 2roq h LEU 58 Ca 0.14 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.67 2roq h LEU 58 Cb 0.50 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2roq h LEU 58 CO 0.02 0.76 0.14 -1.28 0.09 0.00 0.00 178.44 178.17 2roq h SER 59 N -0.06 0.00 0.17 -0.43 0.87 -1.39 0.30 113.55 113.01 2roq h SER 59 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2roq h SER 59 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2roq h SER 59 CO 0.03 0.00 -1.24 -2.11 -0.53 0.00 0.00 176.83 172.98 2roq n ARG 60 N -4.20 0.26 0.03 2.24 1.85 -0.84 -2.35 116.66 113.66 2roq n ARG 60 Ca 0.01 -0.05 0.11 0.00 -1.00 0.00 0.00 57.85 56.92 2roq n ARG 60 Cb 0.26 -1.54 0.02 0.00 -1.05 0.00 0.00 32.46 30.15 2roq n ARG 60 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2roq n GLN 61 N -1.85 0.31 0.00 2.89 1.13 0.72 -4.11 117.38 116.47 2roq n GLN 61 Ca 0.01 -0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.09 2roq n GLN 61 Cb 0.43 -1.60 0.01 0.00 0.11 0.00 0.00 30.24 29.19 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 -2.00 0.00 -1.16 5.09 0.24 0.85 -4.98 118.33 116.38 2roq n VAL 62 Ca 0.02 -0.49 -0.05 0.00 -2.04 0.00 0.00 64.34 61.78 2roq n VAL 62 Cb 0.44 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.86 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 0.02 -0.08 -2.56 2.33 0.00 -1.16 -4.97 120.51 114.10 2roq n ALA 63 Ca 0.02 0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.31 2roq n ALA 63 Cb 0.10 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 2roq n ALA 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2roq s ARG 64 N -2.09 2.02 -0.74 0.00 3.52 -0.99 -5.01 118.95 115.65 2roq s ARG 64 Ca 0.00 -1.63 -0.18 0.00 -0.13 0.00 0.00 55.73 53.79 2roq s ARG 64 Cb 0.00 -1.96 0.14 0.00 -1.56 0.00 0.00 34.95 31.57 2roq s ARG 64 CO 0.00 0.29 0.83 -0.65 -0.81 0.00 0.00 175.30 174.96 2roq s GLN 65 N -3.63 3.34 0.43 5.12 -1.52 -1.26 -4.20 119.66 117.94 2roq s GLN 65 Ca 0.32 -1.74 -0.21 0.00 -1.95 0.00 0.00 55.36 51.78 2roq s GLN 65 Cb -0.04 -4.48 -0.10 0.00 -0.22 0.00 0.00 33.01 28.16 2roq s GLN 65 CO 0.18 -1.54 0.98 0.54 -0.25 0.00 0.00 175.29 175.19 2roq s VAL 66 N 2.03 4.20 0.22 1.09 0.11 -1.26 -5.01 120.40 121.78 2roq s VAL 66 Ca 0.19 1.43 0.05 0.00 -2.93 0.00 0.00 61.98 60.71 2roq s VAL 66 Cb -0.15 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 2roq s VAL 66 CO -0.02 -0.24 0.32 0.42 -3.33 0.00 0.00 175.10 172.25 2roq s THR 67 N -2.06 5.19 0.26 5.04 -4.23 -1.26 -4.97 115.64 113.62 2roq s THR 67 Ca 0.62 -0.95 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 2roq s THR 67 Cb -0.12 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 69.94 2roq s THR 67 CO 0.16 -0.27 1.64 1.55 -0.54 0.00 0.00 174.62 177.17 2roq h PRO 68 N 1.46 0.32 -0.04 3.99 0.13 -1.98 -2.78 132.00 133.10 2roq h PRO 68 Ca -0.51 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2roq h PRO 68 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2roq h PRO 68 CO 0.63 0.72 0.00 0.41 -0.23 0.00 0.00 178.00 179.53 2roq n GLY 69 N -0.04 -0.70 1.23 1.56 0.00 -1.26 -3.41 105.19 102.57 2roq n GLY 69 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.51 1.51 0.05 1.61 3.00 -1.05 -3.43 117.38 118.57 2roq n GLN 70 Ca 0.13 -3.13 0.00 0.00 -0.01 0.00 0.00 57.00 53.99 2roq n GLN 70 Cb 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.05 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2roq n VAL 71 N -0.60 0.53 0.92 5.09 0.31 -1.22 -4.45 118.33 118.92 2roq n VAL 71 Ca 0.19 0.18 0.10 0.00 -0.01 0.00 0.00 64.34 64.79 2roq n VAL 71 Cb 0.86 -1.21 -0.12 0.00 -0.91 0.00 0.00 33.84 32.46 2roq n VAL 71 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2roq n MET 72 N -3.26 0.15 -0.00 5.55 2.81 -1.26 -4.38 117.12 116.74 2roq n MET 72 Ca 0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2roq n MET 72 Cb 0.12 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.14 2roq n MET 72 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2roq n VAL 73 N -1.54 0.00 -0.05 2.03 0.24 -1.26 -4.51 118.33 113.24 2roq n VAL 73 Ca 0.03 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 2roq n VAL 73 Cb 0.34 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 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 0.06 -0.32 0.00 2.33 0.00 -1.76 -3.48 119.26 116.10 2roq h ALA 74 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2roq h ALA 74 Cb 0.02 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2roq h ALA 74 CO 0.00 -0.78 0.00 0.43 0.00 0.00 0.00 179.25 178.90 2roq n SER 75 N -5.41 0.00 -1.54 0.00 7.64 -1.26 -5.01 113.62 108.03 2roq n SER 75 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2roq n SER 75 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.13 0.44 5.66 -1.26 -4.73 114.28 114.51 2roq n THR 76 Ca 0.00 -0.04 -0.16 0.00 -3.05 0.00 0.00 64.05 60.80 2roq n THR 76 Cb 0.00 0.12 -0.09 0.00 -1.55 0.00 0.00 70.33 68.81 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 1.20 0.00 -0.26 1.08 2.07 -1.68 0.38 116.25 119.04 2roq h VAL 77 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 2roq h VAL 77 Cb 0.23 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 2roq h VAL 77 CO 0.06 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 177.18 2roq h ALA 78 N -0.63 -0.76 -0.95 1.67 0.00 -1.76 -0.35 119.26 116.47 2roq h ALA 78 Ca -0.01 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2roq h ALA 78 Cb 0.74 1.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.46 2roq h ALA 78 CO -0.25 -0.97 0.57 -0.22 0.00 0.00 0.00 179.25 178.38 2roq h LYS 79 N -0.41 0.82 -0.93 0.00 3.11 -1.78 0.11 116.57 117.49 2roq h LYS 79 Ca 0.05 -0.05 0.17 0.00 -2.81 0.00 0.00 60.65 58.01 2roq h LYS 79 Cb 0.54 -0.19 -0.08 0.00 -1.00 0.00 0.00 32.23 31.50 2roq h LYS 79 CO -0.46 0.55 0.60 -0.07 -2.81 0.00 0.00 179.45 177.26 2roq h LEU 80 N 0.85 0.64 -0.11 5.20 -0.00 0.15 0.31 115.31 122.35 2roq h LEU 80 Ca 0.50 0.06 -0.07 0.00 -0.00 0.00 0.00 57.88 58.37 2roq h LEU 80 Cb 0.60 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 2roq h LEU 80 CO -0.31 0.29 -0.32 0.00 -0.00 0.00 0.00 178.44 178.10 2roq h ALA 81 N 1.61 0.81 0.00 1.53 0.00 -0.25 -2.19 119.26 120.76 2roq h ALA 81 Ca 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2roq h ALA 81 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2roq h ALA 81 CO -0.25 0.40 -0.29 2.41 0.00 0.00 0.00 179.25 181.53 2roq n THR 82 N -3.20 0.46 -0.11 0.00 -1.04 0.86 -2.04 114.28 109.22 2roq n THR 82 Ca 0.02 -0.27 -0.17 0.00 -2.04 0.00 0.00 64.05 61.60 2roq n THR 82 Cb 0.64 -0.36 -0.13 0.00 -1.82 0.00 0.00 70.33 68.66 2roq n THR 82 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2roq n ILE 83 N -2.16 1.50 0.12 12.58 -5.35 0.08 -3.27 119.36 122.86 2roq n ILE 83 Ca 0.05 -0.64 0.01 0.00 -0.27 0.00 0.00 62.75 61.90 2roq n ILE 83 Cb 0.43 -1.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.08 2roq n ILE 83 CO 0.00 0.00 0.00 0.16 -1.76 0.00 0.00 176.55 174.95 2roq h ILE 84 N 0.01 0.92 0.00 7.28 3.07 -1.51 0.94 117.51 128.22 2roq h ILE 84 Ca -0.56 -2.33 0.00 0.00 1.55 0.00 0.00 64.86 63.53 2roq h ILE 84 Cb 1.98 2.44 0.00 0.00 -0.27 0.00 0.00 36.82 40.97 2roq h ILE 84 CO -0.05 0.53 -1.10 -0.67 -1.05 0.00 0.00 178.15 175.81 2roq n ASP 85 N -3.21 0.62 0.00 2.16 2.03 -0.86 -4.71 116.55 112.58 2roq n ASP 85 Ca 0.01 0.05 -0.00 0.00 0.52 0.00 0.00 54.79 55.37 2roq n ASP 85 Cb 0.76 0.76 -0.00 0.00 -0.72 0.00 0.00 41.12 41.92 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ALA 86 N -2.01 2.21 -3.60 -1.67 0.00 -1.20 -5.04 120.51 109.20 2roq n ALA 86 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.39 2roq n ALA 86 Cb 0.49 0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 2roq n ALA 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2roq s GLU 87 N -1.06 0.27 1.12 0.00 2.12 0.32 -5.02 118.70 116.45 2roq s GLU 87 Ca -0.00 -0.15 -0.19 0.00 0.36 0.00 0.00 54.97 54.99 2roq s GLU 87 Cb 0.00 0.09 0.12 0.00 0.26 0.00 0.00 34.13 34.60 2roq s GLU 87 CO 0.01 -0.12 0.02 -0.85 -0.54 0.00 0.00 175.26 173.77 2roq n GLU 88 N -0.49 -1.74 -0.39 4.30 0.28 -1.23 -4.24 120.64 117.13 2roq n GLU 88 Ca -0.09 -0.49 -0.01 0.00 -0.16 0.00 0.00 57.16 56.40 2roq n GLU 88 Cb 0.63 -1.68 0.01 0.00 1.43 0.00 0.00 31.44 31.83 2roq n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2roq n ASP 89 N -1.70 0.03 -3.12 -1.84 2.03 -1.26 -4.96 116.55 105.73 2roq n ASP 89 Ca 0.01 -1.04 -0.09 0.00 0.52 0.00 0.00 54.79 54.20 2roq n ASP 89 Cb 0.61 -0.04 0.02 0.00 -0.72 0.00 0.00 41.12 40.98 2roq n ASP 89 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2roq n SER 90 N -3.02 1.17 -4.59 1.67 2.88 -1.26 -5.01 113.62 105.45 2roq n SER 90 Ca 0.01 -1.65 -0.42 0.00 -1.33 0.00 0.00 58.87 55.48 2roq n SER 90 Cb 0.03 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 2roq n SER 90 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2roq s THR 91 N -0.66 3.14 -0.11 2.46 -4.23 -1.26 -4.95 115.64 110.03 2roq s THR 91 Ca 0.19 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 2roq s THR 91 Cb -0.02 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.63 2roq s THR 91 CO 0.12 -0.16 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.35 2roq s ARG 92 N 6.56 1.65 -1.09 3.99 6.06 -1.26 -5.04 118.95 129.82 2roq s ARG 92 Ca 0.93 -0.31 -0.14 0.00 -2.50 0.00 0.00 55.73 53.71 2roq s ARG 92 Cb -0.26 -1.63 -0.07 0.00 0.06 0.00 0.00 34.95 33.04 2roq s ARG 92 CO 0.32 -0.23 2.21 0.54 -2.50 0.00 0.00 175.30 175.64 2roq n ARG 93 N 4.78 2.31 -4.13 5.12 1.74 -1.26 -4.81 116.66 120.39 2roq n ARG 93 Ca -0.14 -1.94 -0.11 0.00 -0.77 0.00 0.00 57.85 54.88 2roq n ARG 93 Cb 0.50 -2.84 -0.09 0.00 -1.02 0.00 0.00 32.46 29.01 2roq n ARG 93 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2roq s MET 94 N 3.70 1.20 0.00 5.56 -1.94 -1.26 -4.86 119.30 121.70 2roq s MET 94 Ca 0.52 -1.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 2roq s MET 94 Cb 0.14 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.28 2roq s MET 94 CO 0.00 -0.41 0.00 0.41 -0.01 0.00 0.00 175.02 175.01 2roq n GLY 95 N -0.25 0.38 1.90 -0.03 0.00 -1.15 -4.76 105.19 101.28 2roq n GLY 95 Ca -0.01 -2.23 -0.16 0.00 0.00 0.00 0.00 46.02 43.62 2roq n GLY 95 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2roq n PHE 96 N 1.80 2.26 0.00 1.61 -1.74 -1.26 -3.41 117.46 116.72 2roq n PHE 96 Ca 0.00 -1.43 0.00 0.00 -0.56 0.00 0.00 57.45 55.46 2roq n PHE 96 Cb 0.00 -0.75 0.00 0.00 1.52 0.00 0.00 39.48 40.25 2roq n PHE 96 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 2roq n GLU 97 N -0.64 0.00 0.00 3.97 1.02 -1.26 -3.75 120.64 119.98 2roq n GLU 97 Ca 0.43 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2roq n GLU 97 Cb 1.36 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 32.18 2roq n GLU 97 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2roq n THR 98 N -1.41 0.00 -4.53 2.62 -2.24 -1.26 -4.35 114.28 103.11 2roq n THR 98 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2roq n THR 98 Cb 0.00 -1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 67.05 2roq n THR 98 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2roq s ILE 99 N -2.00 0.99 -0.36 2.28 -1.09 -1.26 -3.57 121.20 116.19 2roq s ILE 99 Ca 0.00 -0.46 0.03 0.00 -2.23 0.00 0.00 60.65 57.99 2roq s ILE 99 Cb 0.00 -0.88 0.11 0.00 -1.58 0.00 0.00 42.46 40.10 2roq s ILE 99 CO 0.00 0.31 0.09 -0.22 -1.23 0.00 0.00 174.94 173.88 2roq s LEU 100 N 0.26 4.38 -0.10 2.97 1.98 -1.13 -2.92 118.68 124.12 2roq s LEU 100 Ca -0.05 -2.24 -0.29 0.00 -2.89 0.00 0.00 54.13 48.65 2roq s LEU 100 Cb -0.11 -1.53 -0.04 0.00 0.66 0.00 0.00 46.19 45.17 2roq s LEU 100 CO 0.01 -0.36 1.53 -2.16 -1.89 0.00 0.00 176.35 173.48 2roq s PRO 101 N 0.80 4.17 -0.01 0.98 0.04 -1.26 -2.68 135.00 137.03 2roq s PRO 101 Ca 0.12 1.99 -0.20 0.00 0.04 0.00 0.00 61.00 62.94 2roq s PRO 101 Cb -0.20 -3.92 -0.27 0.00 0.04 0.00 0.00 34.50 30.15 2roq s PRO 101 CO -0.09 -0.83 1.02 -0.07 0.04 0.00 0.00 177.00 177.07 2roq h LEU 102 N 10.16 0.52 -6.00 -3.56 3.38 -1.89 -3.47 115.31 114.45 2roq h LEU 102 Ca -0.35 -0.84 0.26 0.00 0.09 0.00 0.00 57.88 57.04 2roq h LEU 102 Cb 1.15 -0.16 -0.20 0.00 0.09 0.00 0.00 40.66 41.54 2roq h LEU 102 CO 0.96 1.30 0.15 -0.60 0.09 0.00 0.00 178.44 180.34 2roq s ARG 103 N -2.89 0.10 0.15 1.13 3.52 -0.97 -4.65 118.95 115.34 2roq s ARG 103 Ca -0.13 0.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.63 2roq s ARG 103 Cb 0.02 0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 2roq s ARG 103 CO 0.83 -0.14 0.01 -1.83 -0.81 0.00 0.00 175.30 173.36 2roq s GLU 104 N 2.97 1.03 0.00 5.12 4.04 -1.26 -0.46 118.70 130.14 2roq s GLU 104 Ca 0.07 -1.49 0.00 0.00 0.04 0.00 0.00 54.97 53.60 2roq s GLU 104 Cb -0.06 -0.10 0.00 0.00 0.02 0.00 0.00 34.13 33.99 2roq s GLU 104 CO -0.14 -0.16 0.00 0.41 -1.84 0.00 0.00 175.26 173.53 2roq n GLY 105 N -0.18 1.72 0.00 -3.83 0.00 -1.26 -5.00 105.19 96.64 2roq n GLY 105 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.08 115.26 114.66 2roq n ASN 106 Ca 0.00 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2roq n ASN 106 Cb 0.00 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 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 2.33 3.18 3.70 7.41 0.00 -1.26 -4.94 105.19 115.61 2roq n GLY 107 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 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 3.15 4.31 -0.49 1.61 0.04 -1.26 -4.28 135.00 138.07 2roq s PRO 108 Ca 0.00 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 2roq s PRO 108 Cb 0.00 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 31.18 2roq s PRO 108 CO 0.00 -0.49 1.13 -0.08 0.04 0.00 0.00 177.00 177.60 2roq s THR 109 N 1.66 4.20 0.17 1.26 -1.32 -1.25 -3.45 115.64 116.91 2roq s THR 109 Ca 0.64 1.16 -0.07 0.00 -1.21 0.00 0.00 61.69 62.21 2roq s THR 109 Cb -0.34 -4.61 -0.06 0.00 -1.51 0.00 0.00 72.50 65.98 2roq s THR 109 CO 0.29 -1.04 0.44 -1.48 -2.21 0.00 0.00 174.62 170.62 2roq s LEU 110 N 4.46 4.23 -0.31 9.08 2.34 -0.51 -4.81 118.68 133.17 2roq s LEU 110 Ca 0.47 0.72 -0.29 0.00 0.06 0.00 0.00 54.13 55.08 2roq s LEU 110 Cb -0.07 -3.43 0.01 0.00 -0.56 0.00 0.00 46.19 42.14 2roq s LEU 110 CO 0.31 0.01 1.12 -0.36 -1.06 0.00 0.00 176.35 176.37 2roq s PHE 111 N -1.71 3.06 0.00 3.48 0.08 -0.67 -3.01 117.98 119.21 2roq s PHE 111 Ca 0.43 1.13 -0.24 0.00 0.12 0.00 0.00 56.93 58.37 2roq s PHE 111 Cb -0.12 -3.72 -0.05 0.00 -0.57 0.00 0.00 43.02 38.57 2roq s PHE 111 CO 0.23 -0.97 0.75 0.00 -0.10 0.00 0.00 175.22 175.12 2roq s PHE 113 N 0.27 2.85 -0.36 0.00 -0.71 -1.20 -3.59 117.98 115.24 2roq s PHE 113 Ca 0.39 1.56 0.12 0.00 -1.04 0.00 0.00 56.93 57.96 2roq s PHE 113 Cb -0.19 -3.17 0.41 0.00 -1.21 0.00 0.00 43.02 38.85 2roq s PHE 113 CO 0.21 -1.18 1.37 0.72 -1.34 0.00 0.00 175.22 175.01 2roq n HIS 114 N -1.10 -1.69 0.01 3.49 8.25 -1.26 -4.88 115.22 118.05 2roq n HIS 114 Ca 0.10 -1.95 -0.13 0.00 -0.26 0.00 0.00 57.72 55.49 2roq n HIS 114 Cb 0.52 1.26 -0.09 0.00 1.12 0.00 0.00 29.99 32.79 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 1.78 -0.07 0.00 -0.41 0.13 -1.93 -3.38 132.00 128.12 2roq h PRO 115 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2roq h PRO 115 Cb 1.29 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2roq h PRO 115 CO -0.04 0.39 0.00 0.00 -0.23 0.00 0.00 178.00 178.12 2roq n ALA 116 N -2.38 -0.07 -2.71 -0.56 0.00 -1.26 -4.82 120.51 108.71 2roq n ALA 116 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 2roq n ALA 116 Cb 0.25 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.42 1.27 0.03 0.00 1.04 -1.26 -3.36 113.70 109.00 2roq s SER 117 Ca 0.00 -0.38 -0.08 0.00 0.48 0.00 0.00 55.95 55.97 2roq s SER 117 Cb 0.00 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 2roq s SER 117 CO 0.00 0.01 1.13 1.23 0.98 0.00 0.00 173.24 176.59 2roq h GLY 118 N 5.16 -1.54 -4.14 7.32 0.00 -1.76 -3.41 103.07 104.70 2roq h GLY 118 Ca -0.35 0.72 -0.54 0.00 0.00 0.00 0.00 47.33 47.15 2roq h GLY 118 CO 0.45 -0.53 0.78 0.69 0.00 0.00 0.00 176.54 177.93 2roq n PHE 119 N -3.29 2.84 -2.67 5.60 3.01 -1.26 -4.82 117.46 116.87 2roq n PHE 119 Ca -0.01 0.39 -0.04 0.00 1.01 0.00 0.00 57.45 58.80 2roq n PHE 119 Cb 0.09 -2.54 0.10 0.00 -0.01 0.00 0.00 39.48 37.11 2roq n PHE 119 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2roq n ALA 120 N 1.11 -2.76 -1.62 4.37 0.00 -1.26 -5.03 120.51 115.30 2roq n ALA 120 Ca 0.05 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2roq n ALA 120 Cb 0.37 -2.66 -0.04 0.00 0.00 0.00 0.00 19.45 17.12 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 0.34 1.87 -0.31 0.00 5.03 -1.26 -4.02 117.44 119.09 2roq n TRP 121 Ca -0.08 -2.12 0.00 0.00 3.03 0.00 0.00 57.50 58.34 2roq n TRP 121 Cb 0.74 -1.44 0.00 0.00 -1.03 0.00 0.00 31.31 29.59 2roq n TRP 121 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2roq n GLN 122 N 0.89 -0.10 0.00 -0.99 0.00 -1.26 -4.52 117.38 111.40 2roq n GLN 122 Ca 0.51 -0.29 0.10 0.00 0.00 0.00 0.00 57.00 57.32 2roq n GLN 122 Cb 0.48 -0.78 0.54 0.00 0.00 0.00 0.00 30.24 30.48 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 -0.07 0.00 -0.18 2.61 -0.00 -1.26 -3.48 117.46 115.09 2roq n PHE 123 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 57.45 57.74 2roq n PHE 123 Cb 0.08 -0.25 0.72 0.00 -0.00 0.00 0.00 39.48 40.03 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 0.00 0.00 -0.83 -2.13 4.64 -1.83 0.16 113.55 113.56 2roq h SER 124 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2roq h SER 124 Cb 0.18 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 2roq h SER 124 CO 0.00 0.00 0.51 1.62 -0.87 0.00 0.00 176.83 178.09 2roq h VAL 125 N 0.00 1.05 0.07 0.95 3.04 -1.90 -2.09 116.25 117.37 2roq h VAL 125 Ca 0.43 -0.32 -0.16 0.00 -1.01 0.00 0.00 66.70 65.64 2roq h VAL 125 Cb 1.81 0.02 0.02 0.00 -2.01 0.00 0.00 31.29 31.13 2roq h VAL 125 CO -0.00 0.17 -0.66 0.25 -1.01 0.00 0.00 177.57 176.31 2roq h LEU 126 N 0.95 0.46 -1.97 3.16 5.85 -1.00 -2.12 115.31 120.64 2roq h LEU 126 Ca 0.36 -0.87 0.28 0.00 0.84 0.00 0.00 57.88 58.49 2roq h LEU 126 Cb 0.14 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2roq h LEU 126 CO -0.16 1.28 0.71 0.77 -0.34 0.00 0.00 178.44 180.70 2roq h SER 127 N -0.30 0.03 0.41 1.25 4.64 -1.20 0.52 113.55 118.90 2roq h SER 127 Ca -0.10 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 2roq h SER 127 Cb 1.45 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 2roq h SER 127 CO 0.13 0.01 -1.65 -1.14 -0.87 0.00 0.00 176.83 173.30 2roq n ARG 128 N -4.26 0.64 0.09 4.77 0.63 -0.81 -4.22 116.66 113.51 2roq n ARG 128 Ca 0.21 -0.01 -0.13 0.00 -0.92 0.00 0.00 57.85 57.00 2roq n ARG 128 Cb 1.04 -1.66 -0.08 0.00 0.45 0.00 0.00 32.46 32.21 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 0.45 0.00 -0.14 0.05 0.54 -3.44 116.97 114.44 2roq h TYR 129 Ca -0.09 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.40 2roq h TYR 129 Cb 1.24 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.95 2roq h TYR 129 CO 0.00 1.16 0.00 1.28 -1.05 0.00 0.00 178.16 179.55 2roq n LEU 130 N -3.61 0.00 0.00 3.88 4.77 0.11 -4.91 117.00 117.24 2roq n LEU 130 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2roq n LEU 130 Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 2roq n LEU 130 CO 0.51 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.90 2roq n ASP 131 N 0.00 0.00 0.00 -1.43 2.03 -1.26 -4.94 116.55 110.94 2roq n ASP 131 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 2roq n ASP 131 Cb 0.00 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 40.73 2roq n ASP 131 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2roq n PRO 132 N 0.00 0.08 -3.56 -0.67 -0.04 -1.26 -3.86 135.00 125.68 2roq n PRO 132 Ca 0.00 0.22 -0.27 0.00 -0.04 0.00 0.00 63.50 63.41 2roq n PRO 132 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2roq n PRO 132 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2roq n GLN 133 N -1.42 1.44 0.02 0.54 1.13 -1.26 -4.17 117.38 113.67 2roq n GLN 133 Ca 0.05 -4.04 0.13 0.00 -1.94 0.00 0.00 57.00 51.20 2roq n GLN 133 Cb 0.15 -1.98 0.45 0.00 0.11 0.00 0.00 30.24 28.97 2roq n GLN 133 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 2roq n TRP 134 N 1.82 0.22 -4.07 1.08 8.01 -1.25 -4.75 117.44 118.51 2roq n TRP 134 Ca 0.25 0.06 -0.35 0.00 -1.31 0.00 0.00 57.50 56.15 2roq n TRP 134 Cb 0.42 -0.53 -0.12 0.00 -2.01 0.00 0.00 31.31 29.07 2roq n TRP 134 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 2roq s SER 135 N -3.39 4.96 -0.09 -0.99 0.01 -1.22 -4.46 113.70 108.52 2roq s SER 135 Ca 0.12 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.10 2roq s SER 135 Cb 0.17 -1.85 0.03 0.00 0.21 0.00 0.00 66.02 64.58 2roq s SER 135 CO 0.60 0.08 0.31 -0.63 0.41 0.00 0.00 173.24 174.01 2roq s ILE 136 N 0.93 0.02 -0.07 1.44 1.01 0.39 -1.43 121.20 123.48 2roq s ILE 136 Ca 0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.44 2roq s ILE 136 Cb -0.14 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 41.86 2roq s ILE 136 CO 0.02 -0.08 0.21 0.27 0.00 0.00 0.00 174.94 175.36 2roq s ILE 137 N -0.29 0.01 -0.01 2.92 -4.36 -1.17 -2.30 121.20 116.01 2roq s ILE 137 Ca -0.04 -0.08 -0.16 0.00 -0.26 0.00 0.00 60.65 60.11 2roq s ILE 137 Cb -0.03 -0.33 -0.06 0.00 1.25 0.00 0.00 42.46 43.29 2roq s ILE 137 CO 0.01 -0.05 0.43 -0.83 0.24 0.00 0.00 174.94 174.75 2roq s GLY 138 N -0.08 2.48 -0.64 6.27 0.00 -1.09 -1.33 107.32 112.92 2roq s GLY 138 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.48 2roq s GLY 138 CO 0.01 0.25 0.45 -0.42 0.00 0.00 0.00 173.10 173.39 2roq s ILE 139 N -0.85 3.66 0.33 0.90 -1.09 -1.24 -2.85 121.20 120.06 2roq s ILE 139 Ca 0.24 -3.09 -0.18 0.00 -2.23 0.00 0.00 60.65 55.40 2roq s ILE 139 Cb -0.17 -3.39 0.05 0.00 -1.58 0.00 0.00 42.46 37.38 2roq s ILE 139 CO 0.13 -0.89 0.82 -1.58 -1.23 0.00 0.00 174.94 172.19 2roq s GLN 140 N -0.21 2.00 0.33 2.79 -0.44 -1.23 -4.69 119.66 118.21 2roq s GLN 140 Ca 0.18 -1.26 0.07 0.00 -2.50 0.00 0.00 55.36 51.85 2roq s GLN 140 Cb -0.20 0.58 -0.02 0.00 -1.64 0.00 0.00 33.01 31.74 2roq s GLN 140 CO -0.04 -0.93 0.36 -1.54 0.50 0.00 0.00 175.29 173.64 2roq s SER 141 N -3.08 5.57 -0.02 6.67 1.04 -1.26 -4.29 113.70 118.32 2roq s SER 141 Ca 0.15 -0.37 -0.25 0.00 0.48 0.00 0.00 55.95 55.97 2roq s SER 141 Cb -0.05 -1.08 -0.19 0.00 0.10 0.00 0.00 66.02 64.80 2roq s SER 141 CO 0.10 -0.38 1.19 1.55 0.98 0.00 0.00 173.24 176.67 2roq h PRO 142 N 1.11 -0.12 -3.49 4.02 0.13 -1.76 -3.37 132.00 128.52 2roq h PRO 142 Ca -0.45 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 2roq h PRO 142 Cb 1.25 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.25 2roq h PRO 142 CO 0.56 0.33 -0.28 -0.98 -0.23 0.00 0.00 178.00 177.39 2roq s ARG 143 N -4.18 0.83 -0.93 0.86 1.70 -1.26 -4.60 118.95 111.38 2roq s ARG 143 Ca -0.15 -0.67 -0.23 0.00 -0.47 0.00 0.00 55.73 54.22 2roq s ARG 143 Cb 0.02 0.35 -0.14 0.00 -0.57 0.00 0.00 34.95 34.61 2roq s ARG 143 CO 0.61 -0.27 1.92 -0.35 -1.08 0.00 0.00 175.30 176.13 2roq n PRO 144 N 0.34 1.49 -0.07 3.89 -0.04 -1.26 -4.52 135.00 134.84 2roq n PRO 144 Ca -0.17 -2.09 -0.14 0.00 -0.04 0.00 0.00 63.50 61.06 2roq n PRO 144 Cb 0.61 -3.27 -0.14 0.00 -0.04 0.00 0.00 33.50 30.66 2roq n PRO 144 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2roq n ASN 145 N 10.66 1.08 -4.82 3.54 5.15 -1.26 -4.96 115.26 124.64 2roq n ASN 145 Ca 0.47 0.12 -0.32 0.00 -0.60 0.00 0.00 54.58 54.25 2roq n ASN 145 Cb 0.43 0.05 -0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2roq n ASN 145 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2roq s GLY 146 N -5.64 2.02 0.52 8.20 0.00 -1.26 -4.95 107.32 106.21 2roq s GLY 146 Ca -0.16 0.25 0.31 0.00 0.00 0.00 0.00 44.72 45.11 2roq s GLY 146 CO 0.77 0.55 1.96 -0.56 0.00 0.00 0.00 173.10 175.82 2roq h PRO 147 N 0.42 0.00 0.00 2.90 0.13 -2.01 -2.50 132.00 130.93 2roq h PRO 147 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2roq h PRO 147 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2roq h PRO 147 CO 0.59 0.07 0.00 -1.33 -0.23 0.00 0.00 178.00 177.10 2roq n MET 148 N -3.22 0.15 0.01 0.86 2.81 -1.26 -2.72 117.12 113.76 2roq n MET 148 Ca 0.00 0.11 0.10 0.00 -1.81 0.00 0.00 57.70 56.10 2roq n MET 148 Cb 0.33 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.77 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 -1.40 0.02 0.14 0.03 1.13 -0.94 -0.12 117.38 116.24 2roq n GLN 149 Ca 0.08 0.17 -0.06 0.00 -1.94 0.00 0.00 57.00 55.25 2roq n GLN 149 Cb 0.22 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 29.00 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 -1.73 -3.41 112.91 114.20 2roq h THR 150 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2roq h THR 150 Cb 0.37 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.79 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 -2.47 0.86 0.40 6.62 0.00 -1.24 -4.73 120.51 119.94 2roq n ALA 151 Ca -0.05 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.41 2roq n ALA 151 Cb 0.16 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.31 2.67 -0.21 0.00 0.00 0.83 -4.45 120.51 119.03 2roq n ALA 152 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 53.44 52.55 2roq n ALA 152 Cb 0.04 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.54 2roq n ALA 152 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2roq h ASN 153 N 2.55 -0.75 0.32 0.00 -0.26 -1.13 0.63 115.58 116.93 2roq h ASN 153 Ca 0.00 0.20 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 2roq h ASN 153 Cb 0.80 0.45 -0.01 0.00 -1.06 0.00 0.00 38.32 38.50 2roq h ASN 153 CO 0.08 -0.24 -0.20 -0.07 -1.06 0.00 0.00 177.43 175.93 2roq h LEU 154 N -0.05 0.00 0.26 1.61 3.38 -1.87 -2.11 115.31 116.52 2roq h LEU 154 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2roq h LEU 154 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2roq h LEU 154 CO -0.67 0.20 -0.12 0.44 0.09 0.00 0.00 178.44 178.38 2roq h ASP 155 N 0.00 -0.29 -0.41 -0.43 5.19 -0.21 -2.14 116.42 118.13 2roq h ASP 155 Ca -0.00 -0.20 0.07 0.00 -0.62 0.00 0.00 57.03 56.28 2roq h ASP 155 Cb 0.41 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.94 2roq h ASP 155 CO 0.03 0.21 0.05 1.05 -3.12 0.00 0.00 179.24 177.45 2roq h GLU 156 N -0.96 0.17 -0.15 3.56 4.11 -0.56 -0.02 114.58 120.72 2roq h GLU 156 Ca -0.04 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 2roq h GLU 156 Cb 0.47 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2roq h GLU 156 CO 0.06 0.11 -0.00 -0.39 0.07 0.00 0.00 179.01 178.86 2roq h VAL 157 N 0.17 1.10 0.07 -1.06 -1.51 -1.48 -2.09 116.25 111.45 2roq h VAL 157 Ca 0.20 -0.40 -0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2roq h VAL 157 Cb 0.26 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2roq h VAL 157 CO -0.28 0.13 -0.03 0.00 -1.23 0.00 0.00 177.57 176.16 2roq h GLU 159 N -0.60 -0.79 -1.00 0.00 4.39 -0.86 -1.96 114.58 113.75 2roq h GLU 159 Ca -0.01 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.88 2roq h GLU 159 Cb 0.51 0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 29.25 2roq h GLU 159 CO 0.01 -0.53 0.62 0.00 -1.16 0.00 0.00 179.01 177.96 2roq h ALA 160 N -0.45 1.54 -0.18 3.43 0.00 -1.49 -1.91 119.26 120.20 2roq h ALA 160 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2roq h ALA 160 Cb 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2roq h ALA 160 CO -0.07 0.16 0.00 0.72 0.00 0.00 0.00 179.25 180.07 2roq n HIS 161 N -4.65 0.00 -0.29 0.00 8.25 -0.79 -1.91 115.22 115.83 2roq n HIS 161 Ca 0.20 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.73 2roq n HIS 161 Cb 0.40 -0.47 0.18 0.00 1.12 0.00 0.00 29.99 31.22 2roq n HIS 161 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2roq h LEU 162 N 0.00 -0.50 -0.23 2.41 -0.00 -1.25 0.44 115.31 116.18 2roq h LEU 162 Ca 0.00 0.23 0.03 0.00 -0.00 0.00 0.00 57.88 58.15 2roq h LEU 162 Cb 0.00 0.43 -0.06 0.00 -0.00 0.00 0.00 40.66 41.03 2roq h LEU 162 CO 0.00 -0.25 -0.48 0.00 -0.00 0.00 0.00 178.44 177.72 2roq h ALA 163 N 1.81 -0.78 0.00 1.53 0.00 -1.22 0.21 119.26 120.82 2roq h ALA 163 Ca 0.46 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 2roq h ALA 163 Cb 0.82 1.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2roq h ALA 163 CO -0.78 -0.98 -0.29 1.15 0.00 0.00 0.00 179.25 178.35 2roq h THR 164 N -0.42 1.04 0.76 0.00 2.02 -0.49 -1.71 112.91 114.10 2roq h THR 164 Ca 0.04 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 2roq h THR 164 Cb 0.55 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2roq h THR 164 CO -0.44 0.29 -0.36 -0.07 0.37 0.00 0.00 175.52 175.30 2roq h LEU 165 N 0.00 -0.86 -0.44 2.58 4.07 0.15 -2.07 115.31 118.75 2roq h LEU 165 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2roq h LEU 165 Cb 0.58 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.54 2roq h LEU 165 CO 0.04 -0.56 0.00 0.18 -1.08 0.00 0.00 178.44 177.02 2roq n LEU 166 N -5.02 0.39 0.02 1.67 7.99 0.58 0.12 117.00 122.74 2roq n LEU 166 Ca -0.13 0.60 -0.11 0.00 -0.01 0.00 0.00 56.01 56.36 2roq n LEU 166 Cb 0.40 -0.55 -0.09 0.00 -0.11 0.00 0.00 43.42 43.07 2roq n LEU 166 CO 0.30 -0.45 0.44 -0.33 -1.51 0.00 0.00 177.39 175.84 2roq h GLU 167 N 0.00 -0.12 0.02 3.23 3.07 -1.04 -3.29 114.58 116.45 2roq h GLU 167 Ca 0.00 0.01 -0.34 0.00 -0.50 0.00 0.00 59.36 58.53 2roq h GLU 167 Cb 0.30 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 2roq h GLU 167 CO 0.00 0.40 -1.89 1.04 -1.40 0.00 0.00 179.01 177.16 2roq n GLN 168 N -4.85 0.61 -3.69 2.33 1.13 -0.80 -4.70 117.38 107.41 2roq n GLN 168 Ca -0.08 0.39 -0.34 0.00 -1.94 0.00 0.00 57.00 55.03 2roq n GLN 168 Cb 0.29 -1.64 -0.08 0.00 0.11 0.00 0.00 30.24 28.92 2roq n GLN 168 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2roq n GLN 169 N -4.13 2.48 0.10 -1.09 7.27 0.12 -4.88 117.38 117.25 2roq n GLN 169 Ca -0.41 -4.49 -0.02 0.00 0.07 0.00 0.00 57.00 52.15 2roq n GLN 169 Cb 0.83 -2.38 0.20 0.00 2.41 0.00 0.00 30.24 31.30 2roq n GLN 169 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2roq h PRO 170 N 5.79 0.21 -2.31 3.69 0.13 -1.62 -3.34 132.00 134.55 2roq h PRO 170 Ca 0.16 -0.11 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 2roq h PRO 170 Cb 0.79 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.70 2roq h PRO 170 CO 0.83 0.64 -0.06 -3.38 -0.23 0.00 0.00 178.00 175.80 2roq s HIS 171 N -4.03 -0.73 -4.98 1.56 -3.43 -1.26 -4.91 115.29 97.52 2roq s HIS 171 Ca -0.04 1.64 0.00 0.00 -0.80 0.00 0.00 55.06 55.86 2roq s HIS 171 Cb 0.13 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.60 2roq s HIS 171 CO 0.77 -0.36 0.00 0.41 -2.00 0.00 0.00 174.74 173.56 2roq n GLY 172 N 3.34 1.00 3.62 -1.38 0.00 -1.26 -5.06 105.19 105.46 2roq n GLY 172 Ca -0.17 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.85 3.71 -0.07 1.61 0.04 -1.26 -4.67 135.00 132.51 2roq s PRO 173 Ca 0.00 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 2roq s PRO 173 Cb 0.00 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 2roq s PRO 173 CO 0.00 -1.40 0.15 0.71 0.04 0.00 0.00 177.00 176.51 2roq s TYR 174 N 5.47 3.55 -0.16 0.56 2.02 -1.26 -4.84 117.35 122.69 2roq s TYR 174 Ca 0.72 0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 57.85 2roq s TYR 174 Cb -0.24 -1.88 0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2roq s TYR 174 CO 0.30 0.68 -0.07 -0.47 -1.57 0.00 0.00 175.55 174.42 2roq s TYR 175 N -1.16 1.83 -0.07 2.71 5.04 -1.26 -2.27 117.35 122.17 2roq s TYR 175 Ca 0.20 -1.12 0.03 0.00 -2.44 0.00 0.00 57.07 53.75 2roq s TYR 175 Cb -0.12 -1.38 0.01 0.00 0.35 0.00 0.00 41.96 40.81 2roq s TYR 175 CO 0.11 -0.62 -0.16 -1.17 -1.34 0.00 0.00 175.55 172.36 2roq s LEU 176 N 1.59 1.79 -0.07 6.97 2.96 -1.20 -1.68 118.68 129.04 2roq s LEU 176 Ca 0.02 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2roq s LEU 176 Cb -0.15 -1.00 0.02 0.00 0.50 0.00 0.00 46.19 45.57 2roq s LEU 176 CO -0.08 0.08 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.75 2roq s LEU 177 N 0.54 1.14 0.33 -0.68 2.96 -1.24 0.14 118.68 121.87 2roq s LEU 177 Ca -0.15 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2roq s LEU 177 Cb -0.16 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 2roq s LEU 177 CO 0.05 -0.10 0.12 -0.83 -1.32 0.00 0.00 176.35 174.28 2roq s GLY 178 N 1.37 2.15 0.03 7.98 0.00 -1.15 -3.21 107.32 114.49 2roq s GLY 178 Ca -0.03 -1.70 -0.02 0.00 0.00 0.00 0.00 44.72 42.97 2roq s GLY 178 CO -0.03 -1.69 0.00 -0.19 0.00 0.00 0.00 173.10 171.20 2roq s TYR 179 N -3.48 0.29 0.00 1.90 1.51 -1.26 -2.59 117.35 113.73 2roq s TYR 179 Ca 0.33 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 2roq s TYR 179 Cb 0.05 -0.22 0.00 0.00 -0.11 0.00 0.00 41.96 41.69 2roq s TYR 179 CO 0.16 -0.27 0.00 -1.13 -1.11 0.00 0.00 175.55 173.20 2roq n SER 180 N 1.09 0.00 0.03 2.29 3.41 -1.24 0.33 113.62 119.53 2roq n SER 180 Ca -0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.31 2roq n SER 180 Cb 0.57 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.39 2roq n SER 180 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2roq h LEU 181 N 0.00 0.06 -1.75 1.04 4.07 -1.90 -3.33 115.31 113.50 2roq h LEU 181 Ca 0.00 -0.09 0.28 0.00 0.08 0.00 0.00 57.88 58.15 2roq h LEU 181 Cb 0.00 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 41.66 2roq h LEU 181 CO 0.00 1.08 0.71 1.23 -1.08 0.00 0.00 178.44 180.38 2roq h GLY 182 N 2.97 0.47 0.57 0.83 0.00 -0.44 -1.27 103.07 106.20 2roq h GLY 182 Ca -0.15 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.12 2roq h GLY 182 CO 0.12 -0.04 -0.19 -1.33 0.00 0.00 0.00 176.54 175.10 2roq h GLY 183 N 0.16 -0.26 0.66 4.60 0.00 -1.74 0.42 103.07 106.92 2roq h GLY 183 Ca 0.53 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 48.05 2roq h GLY 183 CO -0.11 -0.17 -0.06 -0.91 0.00 0.00 0.00 176.54 175.28 2roq h THR 184 N -0.31 1.35 -0.17 4.70 1.35 -1.49 -2.13 112.91 116.20 2roq h THR 184 Ca 0.05 -1.16 0.04 0.00 -0.55 0.00 0.00 66.41 64.79 2roq h THR 184 Cb 0.38 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 68.69 2roq h THR 184 CO -0.17 0.33 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.30 2roq h LEU 185 N -0.20 -0.21 -0.47 3.87 -0.00 -1.29 -2.06 115.31 114.95 2roq h LEU 185 Ca 0.02 0.06 0.03 0.00 -0.00 0.00 0.00 57.88 57.98 2roq h LEU 185 Cb 0.55 0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.30 2roq h LEU 185 CO 0.02 -0.08 0.27 0.00 -0.00 0.00 0.00 178.44 178.65 2roq h ALA 186 N 1.13 0.60 -0.58 1.53 0.00 -0.19 -2.05 119.26 119.69 2roq h ALA 186 Ca 0.09 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2roq h ALA 186 Cb 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 2roq h ALA 186 CO -0.19 -0.05 0.15 0.37 0.00 0.00 0.00 179.25 179.53 2roq h GLN 187 N 0.54 0.28 -0.14 0.00 4.15 -0.92 0.16 115.11 119.18 2roq h GLN 187 Ca 0.19 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 2roq h GLN 187 Cb 0.04 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2roq h GLN 187 CO -0.10 0.19 0.06 0.78 -1.93 0.00 0.00 178.83 177.82 2roq h GLY 188 N 0.29 0.22 1.00 2.39 0.00 -0.96 -2.12 103.07 103.88 2roq h GLY 188 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2roq h GLY 188 CO -0.37 0.11 0.11 -2.22 0.00 0.00 0.00 176.54 174.17 2roq h ILE 189 N 0.07 1.05 -0.46 2.60 2.04 -0.79 -2.09 117.51 119.92 2roq h ILE 189 Ca 0.05 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.89 2roq h ILE 189 Cb 0.17 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 2roq h ILE 189 CO -0.00 0.05 0.09 0.00 0.00 0.00 0.00 178.15 178.28 2roq h ALA 190 N 1.05 0.51 -0.18 1.87 0.00 -0.66 -0.34 119.26 121.52 2roq h ALA 190 Ca 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2roq h ALA 190 Cb -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2roq h ALA 190 CO -0.01 -0.31 0.08 0.00 0.00 0.00 0.00 179.25 179.01 2roq h ALA 191 N 1.35 1.80 -0.22 0.00 0.00 -1.14 -1.61 119.26 119.46 2roq h ALA 191 Ca 0.23 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2roq h ALA 191 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2roq h ALA 191 CO -0.30 0.16 -0.35 0.00 0.00 0.00 0.00 179.25 178.77 2roq h ARG 192 N 0.25 0.46 0.24 0.00 -0.00 -0.38 -2.13 114.38 112.82 2roq h ARG 192 Ca 0.06 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.98 59.32 2roq h ARG 192 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.00 2roq h ARG 192 CO -0.01 0.75 -0.11 -0.07 0.00 0.00 0.00 179.97 180.53 2roq h LEU 193 N 0.39 -0.27 -2.40 3.04 3.38 -0.61 0.24 115.31 119.08 2roq h LEU 193 Ca 0.04 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2roq h LEU 193 Cb 0.80 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2roq h LEU 193 CO 0.06 0.23 0.16 0.08 0.09 0.00 0.00 178.44 179.07 2roq h ARG 194 N -0.93 0.00 0.00 1.13 -0.00 -1.43 0.15 114.38 113.29 2roq h ARG 194 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.80 2roq h ARG 194 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.43 2roq h ARG 194 CO 0.05 0.00 -1.70 0.00 -0.00 0.00 0.00 179.97 178.33 2roq n ALA 195 N -2.19 2.12 0.48 0.08 0.00 -0.80 -4.04 120.51 116.16 2roq n ALA 195 Ca -0.01 -0.66 0.13 0.00 0.00 0.00 0.00 53.44 52.90 2roq n ALA 195 Cb 0.25 -0.77 0.35 0.00 0.00 0.00 0.00 19.45 19.28 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 0.17 -3.46 114.38 113.56 2roq h ARG 196 Ca -0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 2roq h ARG 196 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 2roq h ARG 196 CO 0.03 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.97 2roq n GLY 197 N 1.13 1.86 3.83 0.04 0.00 -0.58 -5.06 105.19 106.42 2roq n GLY 197 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.00 2.30 -0.17 1.61 2.02 0.28 -5.01 118.70 119.73 2roq s GLU 198 Ca 0.00 -1.88 -0.00 0.00 0.02 0.00 0.00 54.97 53.11 2roq s GLU 198 Cb 0.00 -2.08 0.04 0.00 0.10 0.00 0.00 34.13 32.18 2roq s GLU 198 CO 0.00 -0.34 -0.08 1.14 0.02 0.00 0.00 175.26 176.00 2roq s GLN 199 N -4.10 1.68 -0.00 1.61 -2.07 -1.26 -3.90 119.66 111.63 2roq s GLN 199 Ca 0.38 -0.58 -0.27 0.00 -1.82 0.00 0.00 55.36 53.07 2roq s GLN 199 Cb -0.00 -2.08 -0.04 0.00 -1.09 0.00 0.00 33.01 29.80 2roq s GLN 199 CO 0.22 -0.39 0.86 0.14 -1.32 0.00 0.00 175.29 174.79 2roq s VAL 200 N 1.57 4.86 -0.12 3.63 -7.23 -1.26 -4.28 120.40 117.56 2roq s VAL 200 Ca 0.01 1.81 -0.12 0.00 -1.81 0.00 0.00 61.98 61.87 2roq s VAL 200 Cb -0.15 -4.20 -0.11 0.00 0.56 0.00 0.00 36.38 32.48 2roq s VAL 200 CO -0.08 0.24 0.31 0.00 -0.31 0.00 0.00 175.10 175.26 2roq h ALA 201 N 6.47 0.00 -0.66 1.32 0.00 -1.81 -3.44 119.26 121.15 2roq h ALA 201 Ca -0.42 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.48 2roq h ALA 201 Cb 1.21 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 2roq h ALA 201 CO 0.74 0.00 0.11 -0.59 0.00 0.00 0.00 179.25 179.51 2roq s PHE 202 N -1.83 -0.73 -0.60 0.00 -0.12 -0.96 -4.71 117.98 109.03 2roq s PHE 202 Ca -0.08 0.94 -0.05 0.00 -0.05 0.00 0.00 56.93 57.69 2roq s PHE 202 Cb -0.01 0.32 0.15 0.00 -0.63 0.00 0.00 43.02 42.85 2roq s PHE 202 CO 0.28 -0.39 0.43 -0.51 -0.05 0.00 0.00 175.22 174.99 2roq s LEU 203 N 2.75 5.50 0.29 -1.99 1.02 -1.19 -3.25 118.68 121.81 2roq s LEU 203 Ca 0.02 -2.57 -0.29 0.00 0.02 0.00 0.00 54.13 51.30 2roq s LEU 203 Cb -0.09 -1.92 -0.10 0.00 0.02 0.00 0.00 46.19 44.09 2roq s LEU 203 CO -0.15 -0.47 1.43 -0.83 0.02 0.00 0.00 176.35 176.36 2roq s GLY 204 N 1.34 2.54 -0.08 -3.19 0.00 0.12 -3.42 107.32 104.64 2roq s GLY 204 Ca 0.14 1.38 -0.01 0.00 0.00 0.00 0.00 44.72 46.23 2roq s GLY 204 CO -0.04 2.23 -0.03 1.08 0.00 0.00 0.00 173.10 176.34 2roq s LEU 205 N -0.96 0.83 -0.12 0.66 1.02 0.67 -2.93 118.68 117.85 2roq s LEU 205 Ca 0.56 -0.16 -0.21 0.00 0.02 0.00 0.00 54.13 54.35 2roq s LEU 205 Cb -0.43 -0.57 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 2roq s LEU 205 CO 0.49 -0.16 0.59 -0.76 0.02 0.00 0.00 176.35 176.53 2roq s LEU 206 N 1.81 4.26 -0.21 1.79 2.01 -1.07 -2.89 118.68 124.37 2roq s LEU 206 Ca 0.04 0.95 -0.03 0.00 0.01 0.00 0.00 54.13 55.10 2roq s LEU 206 Cb -0.12 -2.88 0.00 0.00 0.01 0.00 0.00 46.19 43.20 2roq s LEU 206 CO -0.06 -0.10 0.08 0.47 1.01 0.00 0.00 176.35 177.76 2roq n ASP 207 N 4.00 -7.37 -3.58 2.29 8.00 -1.09 -3.66 116.55 115.15 2roq n ASP 207 Ca -0.04 0.91 -0.10 0.00 0.71 0.00 0.00 54.79 56.27 2roq n ASP 207 Cb 0.51 -3.78 -0.05 0.00 -0.02 0.00 0.00 41.12 37.78 2roq n ASP 207 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2roq s THR 208 N -1.47 0.00 -0.71 -3.53 -1.32 -1.23 -4.64 115.64 102.74 2roq s THR 208 Ca 0.04 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.48 2roq s THR 208 Cb -0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 2roq s THR 208 CO 0.50 0.00 0.65 1.87 -2.21 0.00 0.00 174.62 175.44 2roq n TRP 209 N 0.88 -2.71 -1.18 9.09 -0.00 -1.26 -4.69 117.44 117.57 2roq n TRP 209 Ca -0.10 1.07 -0.29 0.00 -0.00 0.00 0.00 57.50 58.18 2roq n TRP 209 Cb 0.58 -3.51 0.16 0.00 -0.00 0.00 0.00 31.31 28.54 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 -3.56 0.73 0.19 5.87 0.04 -1.26 -4.93 135.00 132.09 2roq s PRO 210 Ca 0.05 0.63 0.21 0.00 0.04 0.00 0.00 61.00 61.94 2roq s PRO 210 Cb -0.01 -1.76 0.88 0.00 0.04 0.00 0.00 34.50 33.65 2roq s PRO 210 CO 0.81 -2.55 1.64 -0.35 0.04 0.00 0.00 177.00 176.58 2roq n PRO 211 N -4.07 0.14 0.00 0.56 -0.04 -1.26 -4.06 135.00 126.27 2roq n PRO 211 Ca 0.06 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2roq n PRO 211 Cb 0.56 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.04 0.00 -3.61 0.54 2.13 -1.26 -5.06 120.64 111.34 2roq n GLU 212 Ca 0.02 0.03 -0.02 0.00 0.66 0.00 0.00 57.16 57.85 2roq n GLU 212 Cb 0.21 -0.36 -0.01 0.00 0.27 0.00 0.00 31.44 31.55 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 -0.62 0.00 1.29 6.31 -4.23 -1.26 -5.17 115.64 111.96 2roq s THR 213 Ca 0.00 -0.09 -0.19 0.00 -1.18 0.00 0.00 61.69 60.22 2roq s THR 213 Cb 0.00 -1.40 0.30 0.00 1.34 0.00 0.00 72.50 72.74 2roq s THR 213 CO 0.00 0.00 0.68 0.00 -0.54 0.00 0.00 174.62 174.76 2roq n GLN 214 N -0.25 -3.70 -2.65 3.99 6.02 -1.26 -4.58 117.38 114.95 2roq n GLN 214 Ca -0.03 -1.09 -0.05 0.00 -0.01 0.00 0.00 57.00 55.81 2roq n GLN 214 Cb 0.60 -1.79 0.01 0.00 1.02 0.00 0.00 30.24 30.07 2roq n GLN 214 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2roq n ASN 215 N -4.10 -6.93 0.14 1.08 3.02 -1.26 -4.95 115.26 102.27 2roq n ASN 215 Ca 0.09 0.36 0.08 0.00 -0.03 0.00 0.00 54.58 55.08 2roq n ASN 215 Cb 0.51 -4.64 0.05 0.00 -0.61 0.00 0.00 39.78 35.09 2roq n ASN 215 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 2roq h TRP 216 N 1.43 0.00 0.00 3.10 0.09 -1.93 -3.22 115.95 115.42 2roq h TRP 216 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2roq h TRP 216 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.10 2roq h TRP 216 CO 0.10 0.22 0.00 1.04 0.09 0.00 0.00 178.44 179.89 2roq n GLN 217 N -3.00 0.12 -3.90 0.12 3.00 -1.26 -4.88 117.38 107.57 2roq n GLN 217 Ca 0.00 0.14 -0.28 0.00 -0.01 0.00 0.00 57.00 56.86 2roq n GLN 217 Cb 0.63 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.39 2roq n GLN 217 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2roq n GLU 218 N -1.40 -4.80 -3.89 -1.09 2.13 -1.22 -1.01 120.64 109.34 2roq n GLU 218 Ca 0.07 0.55 -0.30 0.00 0.66 0.00 0.00 57.16 58.14 2roq n GLU 218 Cb 0.19 -5.24 -0.05 0.00 0.27 0.00 0.00 31.44 26.61 2roq n GLU 218 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2roq n LYS 219 N -4.51 -1.78 0.10 5.31 2.85 -1.26 -4.80 118.16 114.07 2roq n LYS 219 Ca -0.09 0.16 -0.13 0.00 -1.05 0.00 0.00 58.31 57.21 2roq n LYS 219 Cb 0.58 -4.75 -0.06 0.00 -0.65 0.00 0.00 35.03 30.14 2roq n LYS 219 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2roq h GLU 220 N -0.73 -0.22 -2.24 -1.58 4.39 -1.23 -3.29 114.58 109.68 2roq h GLU 220 Ca -0.44 0.01 -0.58 0.00 0.34 0.00 0.00 59.36 58.70 2roq h GLU 220 Cb 1.28 0.05 -0.42 0.00 -0.10 0.00 0.00 28.75 29.57 2roq h GLU 220 CO 0.63 -0.14 -0.71 0.00 -1.16 0.00 0.00 179.01 177.63 2roq n ALA 221 N -2.28 4.30 -0.95 3.43 0.00 0.11 -4.82 120.51 120.30 2roq n ALA 221 Ca -0.07 -4.55 0.00 0.00 0.00 0.00 0.00 53.44 48.82 2roq n ALA 221 Cb 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2roq n ALA 221 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2roq n ASN 222 N -0.07 -2.14 0.00 0.00 2.85 -1.24 -3.06 115.26 111.60 2roq n ASN 222 Ca 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 2roq n ASN 222 Cb 0.42 -0.97 0.00 0.00 1.24 0.00 0.00 39.78 40.48 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roq n GLY 223 N -2.01 0.52 3.35 8.20 0.00 -1.26 -4.88 105.19 109.11 2roq n GLY 223 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2roq n GLY 223 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2roq s LEU 224 N 0.00 2.54 -0.12 0.99 0.05 -1.17 -4.67 118.68 116.29 2roq s LEU 224 Ca 0.00 -0.99 -0.07 0.00 0.05 0.00 0.00 54.13 53.12 2roq s LEU 224 Cb 0.00 -0.74 -0.04 0.00 -2.05 0.00 0.00 46.19 43.36 2roq s LEU 224 CO 0.00 -0.13 0.13 -1.81 -0.55 0.00 0.00 176.35 174.00 2roq s ASP 225 N -3.21 6.32 0.00 1.48 1.01 -1.26 0.07 116.67 121.07 2roq s ASP 225 Ca 0.22 0.44 0.15 0.00 0.71 0.00 0.00 52.55 54.06 2roq s ASP 225 Cb -0.02 -2.04 0.78 0.00 1.01 0.00 0.00 42.92 42.64 2roq s ASP 225 CO 0.08 0.39 1.40 -0.81 0.21 0.00 0.00 175.17 176.43 2roq n PRO 226 N 2.09 0.26 -0.03 8.23 -0.04 -1.26 -2.52 135.00 141.73 2roq n PRO 226 Ca -0.20 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.24 2roq n PRO 226 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.24 0.69 0.10 0.54 1.02 -1.26 -3.73 120.64 116.76 2roq n GLU 227 Ca 0.08 0.24 -0.02 0.00 -0.02 0.00 0.00 57.16 57.44 2roq n GLU 227 Cb 0.11 -1.71 0.22 0.00 -0.02 0.00 0.00 31.44 30.04 2roq n GLU 227 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2roq h VAL 228 N 0.03 1.33 -0.18 2.62 3.04 -1.91 -2.87 116.25 118.29 2roq h VAL 228 Ca -0.39 -1.61 -0.17 0.00 -1.01 0.00 0.00 66.70 63.52 2roq h VAL 228 Cb 2.04 1.76 -0.01 0.00 -2.01 0.00 0.00 31.29 33.07 2roq h VAL 228 CO 0.06 0.48 -0.57 -0.07 -1.01 0.00 0.00 177.57 176.46 2roq h LEU 229 N 0.16 0.64 -1.17 3.16 3.38 -1.71 -2.11 115.31 117.66 2roq h LEU 229 Ca 0.01 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 2roq h LEU 229 Cb 0.86 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2roq h LEU 229 CO 0.07 1.07 -0.25 0.00 0.09 0.00 0.00 178.44 179.41 2roq h ALA 230 N 0.94 1.31 0.03 1.53 0.00 -1.61 -2.10 119.26 119.36 2roq h ALA 230 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 2roq h ALA 230 Cb 1.12 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.83 2roq h ALA 230 CO 0.11 0.47 -0.76 0.93 0.00 0.00 0.00 179.25 180.00 2roq h GLU 231 N 0.23 0.46 -0.44 0.00 4.39 -1.40 -1.84 114.58 115.98 2roq h GLU 231 Ca 0.04 -0.53 0.01 0.00 0.34 0.00 0.00 59.36 59.21 2roq h GLU 231 Cb 0.58 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2roq h GLU 231 CO 0.04 1.18 0.29 0.82 -1.16 0.00 0.00 179.01 180.18 2roq h ILE 232 N -0.04 1.10 -0.00 3.13 2.04 -1.27 0.58 117.51 123.05 2roq h ILE 232 Ca -0.10 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 2roq h ILE 232 Cb 1.47 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2roq h ILE 232 CO 0.15 0.11 -0.63 -1.13 0.00 0.00 0.00 178.15 176.64 2roq h ASN 233 N 0.58 0.02 0.37 1.72 -1.24 -1.47 -2.11 115.58 113.45 2roq h ASN 233 Ca 0.17 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.02 2roq h ASN 233 Cb -0.05 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 2roq h ASN 233 CO -0.04 0.65 -0.59 0.03 -1.29 0.00 0.00 177.43 176.18 2roq h ARG 234 N 0.01 0.22 0.15 6.67 3.08 -0.80 0.98 114.38 124.70 2roq h ARG 234 Ca -0.01 -0.15 -0.30 0.00 0.07 0.00 0.00 59.98 59.60 2roq h ARG 234 Cb 1.12 0.02 0.02 0.00 0.08 0.00 0.00 29.97 31.22 2roq h ARG 234 CO 0.08 0.75 -1.29 0.93 -1.07 0.00 0.00 179.97 179.37 2roq h GLU 235 N 0.17 0.51 -0.03 0.04 4.39 -0.79 -2.13 114.58 116.74 2roq h GLU 235 Ca -0.00 -0.75 -0.25 0.00 0.34 0.00 0.00 59.36 58.69 2roq h GLU 235 Cb 1.09 0.26 0.01 0.00 -0.10 0.00 0.00 28.75 30.01 2roq h GLU 235 CO 0.09 1.34 -0.97 0.00 -1.16 0.00 0.00 179.01 178.31 2roq h ARG 236 N 0.20 0.64 0.00 2.33 2.47 -1.37 -2.12 114.38 116.53 2roq h ARG 236 Ca -0.19 -0.66 -0.08 0.00 -1.26 0.00 0.00 59.98 57.79 2roq h ARG 236 Cb 1.97 0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 30.46 2roq h ARG 236 CO 0.24 1.25 -0.40 1.49 0.56 0.00 0.00 179.97 183.11 2roq h GLU 237 N 0.38 0.00 0.00 0.04 4.81 -0.90 -2.10 114.58 116.81 2roq h GLU 237 Ca -0.10 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.94 2roq h GLU 237 Cb 1.61 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.96 2roq h GLU 237 CO 0.19 0.40 -0.99 0.00 -0.73 0.00 0.00 179.01 177.87 2roq h ALA 238 N 1.60 0.54 0.15 2.92 0.00 -1.37 -2.36 119.26 120.74 2roq h ALA 238 Ca -0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 54.91 53.85 2roq h ALA 238 Cb 1.00 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.82 2roq h ALA 238 CO 0.05 1.07 -0.95 0.35 0.00 0.00 0.00 179.25 179.77 2roq h PHE 239 N 0.00 0.67 0.00 0.00 3.04 -1.28 -3.32 116.94 116.06 2roq h PHE 239 Ca -0.06 -0.47 -0.14 0.00 3.98 0.00 0.00 57.97 61.27 2roq h PHE 239 Cb 1.66 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 40.12 2roq h PHE 239 CO 0.00 1.35 -0.68 -0.07 -2.02 0.00 0.00 178.31 176.90 2roq h LEU 240 N -0.20 0.00 -1.89 0.59 3.38 -1.51 -2.98 115.31 112.71 2roq h LEU 240 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2roq h LEU 240 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2roq h LEU 240 CO 0.18 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.39 2roq h ALA 241 N 1.32 1.00 -0.22 1.53 0.00 -1.52 -0.19 119.26 121.18 2roq h ALA 241 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2roq h ALA 241 Cb 1.25 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2roq h ALA 241 CO 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 179.06 2roq h ALA 242 N 2.03 -0.22 -0.28 0.00 0.00 -1.62 -3.32 119.26 115.85 2roq h ALA 242 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2roq h ALA 242 Cb 0.10 0.56 -0.37 0.00 0.00 0.00 0.00 17.79 18.09 2roq h ALA 242 CO 0.00 -0.72 -1.00 0.94 0.00 0.00 0.00 179.25 178.47 2roq n GLN 243 N -5.39 1.24 -1.20 0.00 0.00 -1.13 -5.12 117.38 105.78 2roq n GLN 243 Ca -0.01 -2.88 -0.36 0.00 -0.00 0.00 0.00 57.00 53.74 2roq n GLN 243 Cb 0.31 -0.99 0.07 0.00 0.00 0.00 0.00 30.24 29.62 2roq n GLN 243 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2roq n GLN 244 N -0.40 0.20 0.00 3.69 0.00 -0.10 -4.57 117.38 116.20 2roq n GLN 244 Ca 0.04 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 57.14 2roq n GLN 244 Cb 0.89 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 29.41 2roq n GLN 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2roq n GLY 245 N 1.82 0.12 0.07 1.69 0.00 -1.26 -4.99 105.19 102.64 2roq n GLY 245 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 2roq n GLY 245 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2roq n SER 246 N 0.00 0.33 -4.10 1.61 3.41 -1.26 -4.77 113.62 108.83 2roq n SER 246 Ca 0.00 0.14 -0.35 0.00 -0.26 0.00 0.00 58.87 58.40 2roq n SER 246 Cb 0.00 1.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.85 2roq n SER 246 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2roq s THR 247 N -3.02 3.01 0.42 6.66 -1.32 -1.26 -4.96 115.64 115.18 2roq s THR 247 Ca -0.06 -2.05 0.13 0.00 -1.21 0.00 0.00 61.69 58.50 2roq s THR 247 Cb 0.10 -3.06 0.33 0.00 -1.51 0.00 0.00 72.50 68.36 2roq s THR 247 CO 0.85 -0.61 1.96 0.28 -2.21 0.00 0.00 174.62 174.89 2roq h SER 248 N 7.94 0.41 0.00 8.08 0.02 -2.02 -3.44 113.55 124.54 2roq h SER 248 Ca -0.12 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2roq h SER 248 Cb 1.04 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2roq h SER 248 CO 0.64 0.24 0.00 1.07 -1.14 0.00 0.00 176.83 177.64 2roq n THR 249 N -4.48 0.00 -0.08 -2.27 5.66 -1.26 -5.00 114.28 106.85 2roq n THR 249 Ca 0.11 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.03 2roq n THR 249 Cb 0.40 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.16 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2roq h GLU 250 N 0.00 -0.27 -0.04 1.09 5.08 -1.98 0.43 114.58 118.88 2roq h GLU 250 Ca 0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2roq h GLU 250 Cb 0.00 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2roq h GLU 250 CO 0.00 -0.18 -0.06 1.25 -1.00 0.00 0.00 179.01 179.02 2roq h LEU 251 N -0.28 0.05 0.41 1.33 6.46 -1.95 -2.11 115.31 119.21 2roq h LEU 251 Ca 0.15 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 2roq h LEU 251 Cb 0.53 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2roq h LEU 251 CO -0.48 0.12 -0.20 -0.26 -0.62 0.00 0.00 178.44 177.01 2roq h PHE 252 N 0.06 -0.51 -0.93 1.25 0.04 -1.09 -2.00 116.94 113.76 2roq h PHE 252 Ca 0.01 -0.01 0.25 0.00 2.80 0.00 0.00 57.97 61.02 2roq h PHE 252 Cb 0.15 0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.42 2roq h PHE 252 CO 0.00 -0.31 0.65 0.00 -0.60 0.00 0.00 178.31 178.04 2roq h THR 253 N -1.09 0.57 -0.02 -1.55 1.03 -0.23 0.13 112.91 111.76 2roq h THR 253 Ca -0.06 -0.04 -0.02 0.00 -0.01 0.00 0.00 66.41 66.28 2roq h THR 253 Cb 0.42 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 67.93 2roq h THR 253 CO 0.09 0.02 -0.06 0.71 -0.01 0.00 0.00 175.52 176.27 2roq h THR 254 N 0.12 1.50 0.45 0.00 1.35 -1.40 -2.13 112.91 112.80 2roq h THR 254 Ca 0.46 -1.57 -0.02 0.00 -0.55 0.00 0.00 66.41 64.73 2roq h THR 254 Cb 1.61 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 2roq h THR 254 CO -0.07 0.42 -0.22 0.40 -0.25 0.00 0.00 175.52 175.80 2roq h ILE 255 N -0.55 0.53 -0.79 6.82 1.08 -0.36 0.13 117.51 124.38 2roq h ILE 255 Ca -0.00 -0.28 0.11 0.00 -0.39 0.00 0.00 64.86 64.29 2roq h ILE 255 Cb 0.71 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.07 2roq h ILE 255 CO 0.01 0.05 0.52 -0.08 -0.69 0.00 0.00 178.15 177.96 2roq h GLU 256 N -0.78 0.64 -0.06 2.37 4.81 -0.94 -0.86 114.58 119.75 2roq h GLU 256 Ca -0.06 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 2roq h GLU 256 Cb 0.55 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2roq h GLU 256 CO 0.10 0.42 -0.74 0.78 -0.73 0.00 0.00 179.01 178.85 2roq h GLY 257 N 0.65 0.38 0.57 1.92 0.00 -1.20 -2.13 103.07 103.26 2roq h GLY 257 Ca 0.37 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2roq h GLY 257 CO -0.14 0.49 -0.17 -0.57 0.00 0.00 0.00 176.54 176.14 2roq h ASN 258 N 0.23 -0.41 -0.61 0.19 -1.24 0.33 -2.05 115.58 112.03 2roq h ASN 258 Ca -0.03 -0.15 0.01 0.00 0.71 0.00 0.00 56.30 56.84 2roq h ASN 258 Cb 1.31 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 40.44 2roq h ASN 258 CO 0.12 0.01 0.40 0.10 -1.29 0.00 0.00 177.43 176.77 2roq h TYR 259 N -0.92 0.77 -0.66 0.67 -0.00 -1.24 -1.97 116.97 113.61 2roq h TYR 259 Ca -0.05 0.02 -0.06 0.00 -0.00 0.00 0.00 58.73 58.64 2roq h TYR 259 Cb 0.53 -0.26 -0.03 0.00 -0.00 0.00 0.00 36.73 36.98 2roq h TYR 259 CO 0.03 0.49 0.19 0.00 -0.00 0.00 0.00 178.16 178.87 2roq h ALA 260 N 1.62 0.86 -0.43 0.10 0.00 -1.39 0.91 119.26 120.93 2roq h ALA 260 Ca 0.22 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2roq h ALA 260 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2roq h ALA 260 CO -0.05 0.55 -0.12 -0.44 0.00 0.00 0.00 179.25 179.20 2roq h ASP 261 N 0.96 0.78 -0.06 0.00 3.32 -0.71 -0.87 116.42 119.85 2roq h ASP 261 Ca 0.21 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 2roq h ASP 261 Cb 0.32 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2roq h ASP 261 CO -0.00 0.92 -0.21 0.00 -1.72 0.00 0.00 179.24 178.22 2roq h ALA 262 N 1.16 0.11 0.00 3.45 0.00 -1.11 -0.44 119.26 122.42 2roq h ALA 262 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2roq h ALA 262 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2roq h ALA 262 CO 0.04 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.69 2roq n VAL 263 N -4.54 0.91 -0.09 0.00 0.24 0.29 -0.05 118.33 115.09 2roq n VAL 263 Ca -0.08 0.23 -0.08 0.00 -2.04 0.00 0.00 64.34 62.36 2roq n VAL 263 Cb 0.43 -0.99 -0.16 0.00 -1.47 0.00 0.00 33.84 31.66 2roq n VAL 263 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2roq n ARG 264 N -1.62 0.69 0.00 7.34 3.00 -0.34 -4.34 116.66 121.39 2roq n ARG 264 Ca 0.04 -0.02 0.11 0.00 -0.00 0.00 0.00 57.85 57.98 2roq n ARG 264 Cb 0.19 -1.53 -0.03 0.00 0.00 0.00 0.00 32.46 31.10 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2roq n LEU 265 N -2.72 1.27 0.06 6.15 -0.00 -0.18 -4.31 117.00 117.27 2roq n LEU 265 Ca -0.30 -0.52 0.21 0.00 -0.00 0.00 0.00 56.01 55.40 2roq n LEU 265 Cb 1.11 -0.03 0.70 0.00 -0.00 0.00 0.00 43.42 45.20 2roq n LEU 265 CO 0.43 0.28 1.19 0.17 -0.00 0.00 0.00 177.39 179.46 2roq h LEU 266 N 0.80 0.00 0.00 1.47 -0.00 -0.66 0.29 115.31 117.21 2roq h LEU 266 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.55 2roq h LEU 266 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.18 2roq h LEU 266 CO 0.00 0.00 -2.33 0.41 -0.00 0.00 0.00 178.44 176.52 2roq n THR 267 N -3.57 1.23 0.34 0.15 -1.04 -1.26 -4.28 114.28 105.84 2roq n THR 267 Ca 0.09 -0.81 0.14 0.00 -2.04 0.00 0.00 64.05 61.43 2roq n THR 267 Cb 0.76 -0.42 0.43 0.00 -1.82 0.00 0.00 70.33 69.27 2roq n THR 267 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2roq h THR 268 N 0.00 0.00 -3.38 12.58 2.02 -0.94 -3.45 112.91 119.74 2roq h THR 268 Ca -0.49 -0.64 -0.18 0.00 0.77 0.00 0.00 66.41 65.88 2roq h THR 268 Cb 2.10 1.60 0.05 0.00 -1.74 0.00 0.00 68.15 70.16 2roq h THR 268 CO 0.03 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.03 2roq n ALA 269 N -1.99 -0.31 -2.44 6.16 0.00 0.72 -5.09 120.51 117.56 2roq n ALA 269 Ca 0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 53.44 52.64 2roq n ALA 269 Cb 0.40 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 2roq n ALA 269 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2roq s HIS 270 N -1.69 0.55 0.24 0.00 2.46 -1.26 -5.02 115.29 110.56 2roq s HIS 270 Ca 0.29 -0.94 -0.16 0.00 0.47 0.00 0.00 55.06 54.72 2roq s HIS 270 Cb -0.01 -0.24 0.01 0.00 -0.13 0.00 0.00 32.58 32.21 2roq s HIS 270 CO 0.20 -0.60 0.54 -1.54 -2.47 0.00 0.00 174.74 170.86 2roq s SER 271 N -2.98 -0.17 -0.02 9.88 1.04 -1.26 -5.02 113.70 115.17 2roq s SER 271 Ca 0.17 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2roq s SER 271 Cb 0.05 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.80 2roq s SER 271 CO -0.01 -1.15 0.01 -0.69 0.98 0.00 0.00 173.24 172.37 2roq s VAL 272 N -3.95 0.05 0.92 5.02 1.01 -1.26 -5.02 120.40 117.17 2roq s VAL 272 Ca 0.16 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 2roq s VAL 272 Cb -0.02 -0.13 0.14 0.00 0.00 0.00 0.00 36.38 36.37 2roq s VAL 272 CO 0.05 0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.16 2roq s PRO 273 N 0.70 1.04 0.14 2.72 0.04 -1.26 -3.93 135.00 134.45 2roq s PRO 273 Ca -0.06 0.74 0.05 0.00 0.04 0.00 0.00 61.00 61.77 2roq s PRO 273 Cb -0.09 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2roq s PRO 273 CO -0.02 -2.37 -0.12 -0.59 0.04 0.00 0.00 177.00 173.94 2roq s PHE 274 N -2.94 1.34 -0.93 0.56 -0.71 -1.26 -4.82 117.98 109.22 2roq s PHE 274 Ca 0.64 -0.67 -0.09 0.00 -1.04 0.00 0.00 56.93 55.78 2roq s PHE 274 Cb -0.18 -0.68 0.24 0.00 -1.21 0.00 0.00 43.02 41.19 2roq s PHE 274 CO 0.57 0.13 0.87 -0.51 -1.34 0.00 0.00 175.22 174.94 2roq s ASP 275 N -2.92 6.68 0.00 1.98 1.01 -1.26 -4.85 116.67 117.31 2roq s ASP 275 Ca 0.14 -3.26 0.00 0.00 0.71 0.00 0.00 52.55 50.14 2roq s ASP 275 Cb -0.00 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.81 2roq s ASP 275 CO 0.02 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 175.64 2roq n GLY 276 N 3.11 4.27 2.99 0.21 0.00 -1.26 -4.95 105.19 109.56 2roq n GLY 276 Ca 0.19 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 2roq n GLY 276 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2roq s LYS 277 N 4.88 2.05 0.11 1.61 2.47 -1.26 -3.23 119.74 126.38 2roq s LYS 277 Ca 0.00 -0.47 -0.07 0.00 -1.56 0.00 0.00 55.97 53.87 2roq s LYS 277 Cb 0.00 -1.90 -0.01 0.00 -1.46 0.00 0.00 37.83 34.45 2roq s LYS 277 CO 0.00 -0.21 0.18 0.00 0.16 0.00 0.00 175.35 175.48 2roq s ALA 278 N 1.45 0.03 -0.30 3.13 0.00 -1.19 -3.20 121.76 121.68 2roq s ALA 278 Ca 0.03 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 2roq s ALA 278 Cb -0.13 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2roq s ALA 278 CO -0.08 -0.54 0.50 0.99 0.00 0.00 0.00 175.76 176.63 2roq s THR 279 N -3.92 5.06 -0.16 0.00 2.01 -1.22 -3.42 115.64 113.99 2roq s THR 279 Ca 0.11 0.62 -0.09 0.00 0.31 0.00 0.00 61.69 62.64 2roq s THR 279 Cb 0.05 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 2roq s THR 279 CO -0.06 -0.04 0.13 -0.22 -0.69 0.00 0.00 174.62 173.74 2roq s LEU 280 N 2.33 4.27 0.01 4.42 2.96 -1.18 -0.24 118.68 131.25 2roq s LEU 280 Ca 0.19 0.33 0.06 0.00 -0.22 0.00 0.00 54.13 54.49 2roq s LEU 280 Cb -0.16 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 2roq s LEU 280 CO 0.11 0.28 -0.18 0.12 -1.32 0.00 0.00 176.35 175.36 2roq s PHE 281 N -0.26 1.60 -0.24 5.38 5.36 -1.14 -2.95 117.98 125.72 2roq s PHE 281 Ca 0.11 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 55.77 2roq s PHE 281 Cb -0.11 -0.99 0.05 0.00 -0.34 0.00 0.00 43.02 41.62 2roq s PHE 281 CO 0.01 0.02 -0.13 0.14 -1.46 0.00 0.00 175.22 173.80 2roq s VAL 282 N -0.61 2.19 -1.10 3.12 -7.23 -1.19 -2.66 120.40 112.92 2roq s VAL 282 Ca 0.06 -1.44 -0.22 0.00 -1.81 0.00 0.00 61.98 58.57 2roq s VAL 282 Cb -0.08 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 2roq s VAL 282 CO 0.00 0.12 1.83 0.00 -0.31 0.00 0.00 175.10 176.74 2roq s ALA 283 N 1.16 2.18 0.36 1.32 0.00 -1.26 -3.25 121.76 122.28 2roq s ALA 283 Ca -0.05 -2.14 0.37 0.00 0.00 0.00 0.00 51.96 50.14 2roq s ALA 283 Cb -0.18 -4.62 1.99 0.00 0.00 0.00 0.00 23.12 20.31 2roq s ALA 283 CO -0.07 -4.51 2.13 0.93 0.00 0.00 0.00 175.76 174.24 2roq h GLU 284 N 9.76 0.00 -0.27 0.00 5.08 -1.08 -1.98 114.58 126.09 2roq h GLU 284 Ca 0.23 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 2roq h GLU 284 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2roq h GLU 284 CO 1.30 0.00 0.30 0.00 -1.00 0.00 0.00 179.01 179.60 2roq h ARG 285 N 0.00 0.00 0.00 2.33 3.08 -1.80 -1.55 114.38 116.44 2roq h ARG 285 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2roq h ARG 285 Cb 0.04 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.00 2roq h ARG 285 CO 0.00 0.00 -0.49 -2.37 -1.07 0.00 0.00 179.97 176.04 2roq n THR 286 N -3.77 0.95 -2.07 2.04 5.66 -0.75 -4.96 114.28 111.37 2roq n THR 286 Ca 0.04 -1.49 -0.43 0.00 -3.05 0.00 0.00 64.05 59.12 2roq n THR 286 Cb 0.44 0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 69.46 2roq n THR 286 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2roq s LEU 287 N -1.42 4.08 0.17 1.09 1.43 -0.59 -4.79 118.68 118.65 2roq s LEU 287 Ca 0.24 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 2roq s LEU 287 Cb 0.24 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.93 2roq s LEU 287 CO -0.05 -1.11 0.00 1.67 0.23 0.00 0.00 176.35 177.10 2roq n GLN 288 N 7.40 0.00 -1.18 1.70 7.27 -1.26 -4.84 117.38 126.46 2roq n GLN 288 Ca 0.18 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 57.03 2roq n GLN 288 Cb 0.44 -0.25 0.18 0.00 2.41 0.00 0.00 30.24 33.02 2roq n GLN 288 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2roq n GLU 289 N -3.38 2.21 0.00 3.69 1.02 -1.26 -4.22 120.64 118.70 2roq n GLU 289 Ca 0.00 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 2roq n GLU 289 Cb 0.04 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 2roq n GLU 289 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2roq n GLY 290 N -1.14 0.10 3.60 0.62 0.00 -1.26 -4.50 105.19 102.61 2roq n GLY 290 Ca 0.57 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.83 3.30 -0.36 1.61 -1.94 -1.26 -4.80 119.30 114.03 2roq s MET 291 Ca 0.00 1.57 -0.02 0.00 -1.71 0.00 0.00 55.69 55.53 2roq s MET 291 Cb 0.00 -4.23 0.26 0.00 2.01 0.00 0.00 34.83 32.86 2roq s MET 291 CO 0.00 -1.90 1.16 0.43 -0.01 0.00 0.00 175.02 174.70 2roq n SER 292 N 10.55 -1.59 -4.75 3.03 7.64 -1.26 -5.10 113.62 122.13 2roq n SER 292 Ca 0.24 -1.86 -0.31 0.00 1.01 0.00 0.00 58.87 57.96 2roq n SER 292 Cb 0.46 0.89 0.11 0.00 -1.01 0.00 0.00 64.21 64.65 2roq n SER 292 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2roq s PRO 293 N 0.36 1.94 -0.84 1.43 0.04 -1.26 -4.32 135.00 132.34 2roq s PRO 293 Ca 0.26 1.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 2roq s PRO 293 Cb 0.19 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 2roq s PRO 293 CO -0.11 -1.83 0.74 0.39 0.04 0.00 0.00 177.00 176.23 2roq n GLU 294 N -3.64 -1.53 -4.15 4.56 -0.58 -1.26 -5.04 120.64 109.01 2roq n GLU 294 Ca 0.08 1.23 -0.10 0.00 -0.42 0.00 0.00 57.16 57.96 2roq n GLU 294 Cb 0.54 -5.36 -0.10 0.00 -0.57 0.00 0.00 31.44 25.95 2roq n GLU 294 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2roq s ARG 295 N -3.67 0.77 -0.31 3.49 6.06 -1.26 -5.13 118.95 118.89 2roq s ARG 295 Ca 0.13 -1.30 -0.07 0.00 -2.50 0.00 0.00 55.73 51.98 2roq s ARG 295 Cb -0.02 -0.08 0.19 0.00 0.06 0.00 0.00 34.95 35.10 2roq s ARG 295 CO 0.77 -0.05 0.96 0.00 -2.50 0.00 0.00 175.30 174.48 2roq s ALA 296 N -3.72 -3.82 -0.28 6.12 0.00 -1.26 -5.05 121.76 113.75 2roq s ALA 296 Ca 0.11 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.31 2roq s ALA 296 Cb 0.06 -2.84 0.14 0.00 0.00 0.00 0.00 23.12 20.48 2roq s ALA 296 CO -0.06 -2.18 1.06 1.87 0.00 0.00 0.00 175.76 176.45 2roq n TRP 297 N 4.72 -0.85 -3.55 0.00 -0.00 -1.26 -5.16 117.44 111.34 2roq n TRP 297 Ca 0.08 -0.90 -0.06 0.00 -0.00 0.00 0.00 57.50 56.61 2roq n TRP 297 Cb 0.59 1.19 -0.02 0.00 -0.00 0.00 0.00 31.31 33.06 2roq n TRP 297 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2roq s SER 298 N -0.42 -0.26 0.77 5.87 0.15 -1.26 -5.17 113.70 113.38 2roq s SER 298 Ca 0.07 -0.02 -0.11 0.00 0.70 0.00 0.00 55.95 56.60 2roq s SER 298 Cb 0.15 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.80 2roq s SER 298 CO -0.04 -0.47 1.09 -2.16 1.20 0.00 0.00 173.24 172.87 2roq s PRO 299 N -2.83 2.25 0.21 5.44 0.04 -1.26 -5.08 135.00 133.77 2roq s PRO 299 Ca 0.07 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 62.20 2roq s PRO 299 Cb -0.01 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2roq s PRO 299 CO -0.07 -1.65 0.33 -1.58 0.04 0.00 0.00 177.00 174.08 2roq s TRP 300 N -2.89 0.55 0.62 0.56 0.51 -1.26 -5.16 118.94 111.87 2roq s TRP 300 Ca 0.61 -0.88 -0.15 0.00 -2.12 0.00 0.00 56.10 53.56 2roq s TRP 300 Cb -0.17 -0.06 -0.02 0.00 -0.81 0.00 0.00 33.47 32.41 2roq s TRP 300 CO 0.56 -0.82 1.08 0.42 -0.51 0.00 0.00 176.95 177.67 2roq s ILE 301 N -4.03 3.62 0.20 2.03 -1.09 -1.26 -4.95 121.20 115.72 2roq s ILE 301 Ca 0.24 0.75 -0.12 0.00 -2.23 0.00 0.00 60.65 59.29 2roq s ILE 301 Cb 0.02 -3.28 0.17 0.00 -1.58 0.00 0.00 42.46 37.79 2roq s ILE 301 CO 0.06 -0.47 1.67 0.00 -1.23 0.00 0.00 174.94 174.98 2roq h ALA 302 N 0.22 0.56 -1.74 9.38 0.00 -1.89 -3.43 119.26 122.36 2roq h ALA 302 Ca -0.47 0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.67 2roq h ALA 302 Cb 1.23 0.29 -0.24 0.00 0.00 0.00 0.00 17.79 19.06 2roq h ALA 302 CO 0.56 -0.38 0.27 -1.21 0.00 0.00 0.00 179.25 178.49 2roq s GLU 303 N -6.16 0.56 0.27 0.00 0.41 -1.20 -5.08 118.70 107.51 2roq s GLU 303 Ca -0.13 0.84 -0.21 0.00 -0.41 0.00 0.00 54.97 55.05 2roq s GLU 303 Cb 0.18 0.18 0.02 0.00 -1.78 0.00 0.00 34.13 32.73 2roq s GLU 303 CO 0.73 -0.10 0.71 -0.48 -0.49 0.00 0.00 175.26 175.64 2roq s LEU 304 N 1.01 -0.28 -0.45 1.80 0.05 -1.26 -3.15 118.68 116.41 2roq s LEU 304 Ca -0.05 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 53.57 2roq s LEU 304 Cb -0.05 2.72 0.12 0.00 -2.05 0.00 0.00 46.19 46.93 2roq s LEU 304 CO -0.12 -1.33 0.20 -0.62 -0.55 0.00 0.00 176.35 173.94 2roq s ASP 305 N -2.91 4.84 0.00 1.48 2.15 -1.22 -4.95 116.67 116.07 2roq s ASP 305 Ca 0.10 -2.46 -0.28 0.00 0.43 0.00 0.00 52.55 50.34 2roq s ASP 305 Cb -0.06 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.81 2roq s ASP 305 CO 0.06 -0.38 0.89 0.27 -0.17 0.00 0.00 175.17 175.84 2roq s ILE 306 N 0.49 4.85 -0.15 4.11 -5.25 -1.25 -3.11 121.20 120.89 2roq s ILE 306 Ca 0.13 1.87 -0.00 0.00 -0.99 0.00 0.00 60.65 61.66 2roq s ILE 306 Cb -0.22 -4.23 0.04 0.00 2.95 0.00 0.00 42.46 40.99 2roq s ILE 306 CO -0.04 0.22 -0.06 -0.31 -1.79 0.00 0.00 174.94 172.96 2roq s TYR 307 N 0.73 1.68 -0.42 1.37 1.51 -1.15 -5.04 117.35 116.02 2roq s TYR 307 Ca 0.47 -1.02 -0.26 0.00 -1.01 0.00 0.00 57.07 55.24 2roq s TYR 307 Cb -0.20 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 2roq s TYR 307 CO 0.25 -0.60 0.95 -0.98 -1.11 0.00 0.00 175.55 174.07 2roq s ARG 308 N 1.64 3.70 -0.08 -0.62 3.03 -1.26 -3.17 118.95 122.19 2roq s ARG 308 Ca 0.02 0.41 -0.13 0.00 2.03 0.00 0.00 55.73 58.06 2roq s ARG 308 Cb -0.15 -3.87 0.03 0.00 -1.03 0.00 0.00 34.95 29.94 2roq s ARG 308 CO -0.08 -1.11 0.32 -1.14 -1.13 0.00 0.00 175.30 172.15 2roq s GLN 309 N 3.71 0.50 -0.91 3.89 0.74 -1.20 -5.01 119.66 121.38 2roq s GLN 309 Ca 0.39 0.17 -0.22 0.00 0.05 0.00 0.00 55.36 55.75 2roq s GLN 309 Cb -0.11 0.23 0.07 0.00 1.10 0.00 0.00 33.01 34.31 2roq s GLN 309 CO 0.23 -0.10 1.26 0.16 -0.55 0.00 0.00 175.29 176.29 2roq s ASP 310 N -0.47 6.45 -0.18 6.67 -4.77 -1.26 -0.58 116.67 122.53 2roq s ASP 310 Ca -0.06 -1.44 -0.09 0.00 -3.30 0.00 0.00 52.55 47.67 2roq s ASP 310 Cb -0.04 -2.50 0.07 0.00 -1.09 0.00 0.00 42.92 39.37 2roq s ASP 310 CO 0.02 -1.41 0.42 0.00 0.70 0.00 0.00 175.17 174.90 2roq s ALA 312 N 1.88 -0.54 0.29 0.00 0.00 -1.26 -4.43 121.76 117.70 2roq s ALA 312 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2roq s ALA 312 Cb -0.10 -3.10 0.43 0.00 0.00 0.00 0.00 23.12 20.36 2roq s ALA 312 CO -0.13 -4.14 1.81 0.45 0.00 0.00 0.00 175.76 173.76 2roq h HIS 313 N -2.94 0.75 0.00 0.00 3.86 -1.97 -2.83 115.15 112.02 2roq h HIS 313 Ca -0.54 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 58.58 2roq h HIS 313 Cb 1.34 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2roq h HIS 313 CO -1.26 0.69 -1.01 1.33 0.86 0.00 0.00 177.93 178.53 2roq n VAL 314 N -4.25 0.00 0.37 2.45 0.24 -1.26 -4.08 118.33 111.80 2roq n VAL 314 Ca 0.03 -0.02 0.14 0.00 -2.04 0.00 0.00 64.34 62.44 2roq n VAL 314 Cb 0.27 0.98 0.55 0.00 -1.47 0.00 0.00 33.84 34.16 2roq n VAL 314 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2roq h ASP 315 N 0.00 0.00 0.33 -1.34 3.58 -1.83 -2.72 116.42 114.44 2roq h ASP 315 Ca 0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2roq h ASP 315 Cb 0.51 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 2roq h ASP 315 CO 0.00 0.00 -1.83 -0.38 -2.88 0.00 0.00 179.24 174.15 2roq n ILE 316 N -2.50 0.89 -0.01 2.25 5.41 -1.22 -4.08 119.36 120.10 2roq n ILE 316 Ca 0.02 -0.68 0.05 0.00 1.00 0.00 0.00 62.75 63.14 2roq n ILE 316 Cb 0.26 -0.44 0.24 0.00 -0.71 0.00 0.00 39.64 39.00 2roq n ILE 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2roq n ILE 317 N -2.67 1.45 -2.74 1.39 0.13 -1.04 -4.60 119.36 111.28 2roq n ILE 317 Ca -0.14 -0.82 -0.25 0.00 -1.10 0.00 0.00 62.75 60.44 2roq n ILE 317 Cb 0.84 -0.17 0.02 0.00 -0.84 0.00 0.00 39.64 39.49 2roq n ILE 317 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 2roq s SER 318 N -0.63 5.80 0.00 9.51 0.01 -1.16 -4.97 113.70 122.26 2roq s SER 318 Ca 0.34 0.51 0.15 0.00 1.31 0.00 0.00 55.95 58.26 2roq s SER 318 Cb 0.24 -1.68 0.74 0.00 0.21 0.00 0.00 66.02 65.53 2roq s SER 318 CO 0.13 -0.81 1.41 -0.81 0.41 0.00 0.00 173.24 173.57 2roq n PRO 319 N -2.28 0.20 -0.04 12.44 -0.04 -1.26 -2.76 135.00 141.26 2roq n PRO 319 Ca 0.02 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.48 2roq n PRO 319 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2roq n PRO 319 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 320 N -0.03 -0.72 0.20 0.55 0.00 -1.26 -3.87 105.19 100.06 2roq n GLY 320 Ca 0.07 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.97 2roq n GLY 320 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2roq h THR 321 N 0.03 0.68 0.00 2.61 1.35 -1.75 -2.10 112.91 113.73 2roq h THR 321 Ca -0.43 -1.39 -0.18 0.00 -0.55 0.00 0.00 66.41 63.85 2roq h THR 321 Cb 2.04 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 70.35 2roq h THR 321 CO 0.04 0.30 -0.86 -0.26 -0.25 0.00 0.00 175.52 174.49 2roq h PHE 322 N 0.00 0.08 0.00 4.73 0.04 -1.71 0.30 116.94 120.37 2roq h PHE 322 Ca -0.00 -0.04 -0.17 0.00 2.80 0.00 0.00 57.97 60.56 2roq h PHE 322 Cb 0.89 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.01 2roq h PHE 322 CO 0.00 0.88 -1.03 1.05 -0.60 0.00 0.00 178.31 178.62 2roq h GLU 323 N 0.02 0.00 0.09 1.51 4.11 -1.64 -3.35 114.58 115.33 2roq h GLU 323 Ca -0.02 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.06 2roq h GLU 323 Cb 1.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.73 2roq h GLU 323 CO 0.12 0.53 -1.97 1.17 0.07 0.00 0.00 179.01 178.93 2roq n LYS 324 N -3.12 0.72 -2.45 1.06 4.81 -0.80 -4.40 118.16 113.97 2roq n LYS 324 Ca -0.04 0.26 -0.41 0.00 -0.87 0.00 0.00 58.31 57.25 2roq n LYS 324 Cb 0.85 -1.71 0.01 0.00 0.02 0.00 0.00 35.03 34.19 2roq n LYS 324 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2roq n ILE 325 N -3.36 5.82 0.00 3.15 5.41 0.10 -4.72 119.36 125.77 2roq n ILE 325 Ca -0.29 -5.47 0.00 0.00 1.00 0.00 0.00 62.75 57.98 2roq n ILE 325 Cb 1.05 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 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 0.55 -0.41 0.00 7.39 0.00 -1.26 -4.09 105.19 107.37 2roq n GLY 326 Ca 0.51 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.13 0.09 -0.03 1.61 -0.04 -1.26 -2.95 135.00 130.30 2roq n PRO 327 Ca 0.00 0.21 -0.16 0.00 -0.04 0.00 0.00 63.50 63.51 2roq n PRO 327 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 2roq n PRO 327 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2roq h ILE 328 N 0.00 1.64 -0.32 0.52 2.04 -1.88 -3.25 117.51 116.27 2roq h ILE 328 Ca 0.00 -2.20 -0.16 0.00 1.00 0.00 0.00 64.86 63.50 2roq h ILE 328 Cb 0.20 3.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 2roq h ILE 328 CO 0.00 0.59 -0.44 0.40 0.00 0.00 0.00 178.15 178.71 2roq h ILE 329 N -0.67 1.28 -0.67 -0.67 2.04 -1.68 -1.89 117.51 115.24 2roq h ILE 329 Ca -0.04 -1.62 0.13 0.00 1.00 0.00 0.00 64.86 64.33 2roq h ILE 329 Cb 1.12 1.50 -0.09 0.00 -0.74 0.00 0.00 36.82 38.61 2roq h ILE 329 CO 0.05 0.53 0.20 -0.09 0.00 0.00 0.00 178.15 178.83 2roq h ARG 330 N 0.65 0.32 0.04 2.37 2.43 -1.66 0.28 114.38 118.80 2roq h ARG 330 Ca 0.04 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.97 2roq h ARG 330 Cb 1.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2roq h ARG 330 CO 0.10 0.21 -1.01 0.00 -1.51 0.00 0.00 179.97 177.76 2roq h ALA 331 N 1.52 0.36 -0.15 2.80 0.00 -1.57 -2.13 119.26 120.08 2roq h ALA 331 Ca 0.36 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2roq h ALA 331 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2roq h ALA 331 CO -0.41 0.99 0.06 1.15 0.00 0.00 0.00 179.25 181.03 2roq h THR 332 N 0.08 1.17 0.00 0.00 2.02 -0.35 0.29 112.91 116.12 2roq h THR 332 Ca -0.07 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 2roq h THR 332 Cb 1.69 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 2roq h THR 332 CO 0.15 0.16 -0.36 -0.07 0.37 0.00 0.00 175.52 175.77 2roq h LEU 333 N 0.08 0.00 0.00 2.58 3.38 -0.61 -2.12 115.31 118.63 2roq h LEU 333 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2roq h LEU 333 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2roq h LEU 333 CO -0.00 0.36 -0.37 -1.13 0.09 0.00 0.00 178.44 177.39 2roq h ASN 334 N 0.00 0.00 0.33 -0.43 -0.00 -1.15 -2.14 115.58 112.19 2roq h ASN 334 Ca -0.00 -0.06 -0.22 0.00 -0.00 0.00 0.00 56.30 56.02 2roq h ASN 334 Cb 1.09 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.38 2roq h ASN 334 CO 0.05 0.03 -1.86 -2.11 -0.00 0.00 0.00 177.43 173.54 2roq n ARG 335 N -2.54 0.65 0.04 6.67 1.85 1.00 -3.66 116.66 120.67 2roq n ARG 335 Ca 0.03 0.08 0.03 0.00 -1.00 0.00 0.00 57.85 57.00 2roq n ARG 335 Cb 0.48 -1.66 -0.07 0.00 -1.05 0.00 0.00 32.46 30.16 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 0.74 0.09 2.89 -0.00 -0.81 -3.25 117.00 113.91 2roq n LEU 336 Ca -0.17 0.31 -0.04 0.00 -0.00 0.00 0.00 56.01 56.12 2roq n LEU 336 Cb 0.92 0.06 -0.05 0.00 -0.00 0.00 0.00 43.42 44.34 2roq n LEU 336 CO 0.44 0.07 0.27 1.05 -0.00 0.00 0.00 177.39 179.21 2roq h GLU 337 N 0.00 0.00 -0.04 1.47 4.11 -1.56 -3.12 114.58 115.44 2roq h GLU 337 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2roq h GLU 337 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2roq h GLU 337 CO 0.03 0.82 0.00 1.58 0.07 0.00 0.00 179.01 181.51 2roq n HIS 338 N -3.33 0.04 -3.25 2.06 -0.00 -1.24 -4.95 115.22 104.55 2roq n HIS 338 Ca 0.01 -0.02 -0.08 0.00 0.46 0.00 0.00 57.72 58.08 2roq n HIS 338 Cb 0.86 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.73 2roq n HIS 338 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2roq n HIS 339 N -0.43 -2.78 -1.86 1.57 8.25 -1.18 -4.77 115.22 114.03 2roq n HIS 339 Ca 0.19 1.08 -0.25 0.00 -0.26 0.00 0.00 57.72 58.48 2roq n HIS 339 Cb 0.19 -3.69 -0.05 0.00 1.12 0.00 0.00 29.99 27.56 2roq n HIS 339 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2roq s HIS 340 N -2.91 1.51 -0.24 4.41 2.46 -1.20 -4.71 115.29 114.61 2roq s HIS 340 Ca 0.03 1.15 -0.17 0.00 0.47 0.00 0.00 55.06 56.55 2roq s HIS 340 Cb -0.01 -3.82 -0.14 0.00 -0.13 0.00 0.00 32.58 28.48 2roq s HIS 340 CO 0.79 -1.84 -0.13 0.72 -2.47 0.00 0.00 174.74 171.81 2roq n HIS 341 N 15.42 0.44 0.06 3.88 8.25 -1.26 -4.94 115.22 137.07 2roq n HIS 341 Ca 0.39 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 2roq n HIS 341 Cb 0.47 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.58 2roq n HIS 341 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2roq n HIS 342 N -4.35 -0.43 -1.61 4.41 8.25 -1.26 -5.32 115.22 114.90 2roq n HIS 342 Ca -0.42 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 2roq n HIS 342 Cb 0.76 0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.98 2roq n HIS 342 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59