#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 -1.13 -4.71 3.17 4.77 -1.26 -4.93 117.00 112.91 2roq n LEU 2 Ca 0.00 2.17 -0.30 0.00 -0.03 0.00 0.00 56.01 57.85 2roq n LEU 2 Cb 0.00 -2.42 0.14 0.00 -2.33 0.00 0.00 43.42 38.81 2roq n LEU 2 CO 0.00 -1.17 0.67 -2.16 -1.33 0.00 0.00 177.39 173.40 2roq s PRO 3 N -4.66 1.19 0.29 3.23 0.04 -1.26 -5.04 135.00 128.80 2roq s PRO 3 Ca 0.00 0.80 -0.13 0.00 0.04 0.00 0.00 61.00 61.71 2roq s PRO 3 Cb 0.00 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 2roq s PRO 3 CO 0.00 -2.28 0.67 -1.21 0.04 0.00 0.00 177.00 174.22 2roq s GLU 4 N -4.94 3.92 -0.40 4.56 2.02 -1.26 -5.03 118.70 117.57 2roq s GLU 4 Ca 0.64 0.52 0.12 0.00 0.02 0.00 0.00 54.97 56.26 2roq s GLU 4 Cb -0.18 -2.50 0.40 0.00 0.10 0.00 0.00 34.13 31.94 2roq s GLU 4 CO 0.57 0.20 0.90 1.28 0.02 0.00 0.00 175.26 178.24 2roq n LEU 5 N -0.34 2.32 0.03 1.80 4.77 -1.26 -4.91 117.00 119.42 2roq n LEU 5 Ca 0.02 -4.74 -0.12 0.00 -0.03 0.00 0.00 56.01 51.14 2roq n LEU 5 Cb 0.53 0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.73 2roq n LEU 5 CO 0.43 2.06 0.52 0.11 -1.33 0.00 0.00 177.39 179.17 2roq h LYS 6 N 2.93 -0.13 -1.12 3.23 1.57 -1.95 -3.48 116.57 117.62 2roq h LYS 6 Ca 0.07 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.04 2roq h LYS 6 Cb 0.95 0.03 -0.30 0.00 0.08 0.00 0.00 32.23 32.99 2roq h LYS 6 CO 0.61 0.35 0.55 0.00 -0.57 0.00 0.00 179.45 180.40 2roq s ALA 7 N -3.96 -2.61 -0.01 3.86 0.00 -1.26 -4.96 121.76 112.82 2roq s ALA 7 Ca -0.15 2.04 -0.21 0.00 0.00 0.00 0.00 51.96 53.65 2roq s ALA 7 Cb 0.01 -1.93 -0.12 0.00 0.00 0.00 0.00 23.12 21.08 2roq s ALA 7 CO 0.58 -0.46 0.87 1.96 0.00 0.00 0.00 175.76 178.72 2roq h GLN 8 N 5.88 -0.68 -4.48 0.00 1.08 -1.88 -3.47 115.11 111.57 2roq h GLN 8 Ca -0.25 0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 56.82 2roq h GLN 8 Cb 1.16 0.15 -0.15 0.00 -0.05 0.00 0.00 27.48 28.60 2roq h GLN 8 CO 0.19 -0.43 -0.69 0.00 -0.95 0.00 0.00 178.83 176.95 2roq s ALA 9 N -4.40 0.78 -1.14 3.87 0.00 -1.26 -5.03 121.76 114.58 2roq s ALA 9 Ca -0.11 -1.30 0.14 0.00 0.00 0.00 0.00 51.96 50.70 2roq s ALA 9 Cb 0.01 0.22 0.65 0.00 0.00 0.00 0.00 23.12 24.01 2roq s ALA 9 CO 0.34 -0.30 1.44 -0.35 0.00 0.00 0.00 175.76 176.90 2roq n PRO 10 N 0.02 0.07 0.00 0.00 -0.04 -1.26 -4.67 135.00 129.11 2roq n PRO 10 Ca -0.13 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2roq n PRO 10 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2roq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 11 N -0.03 0.82 3.57 0.55 0.00 -1.26 -3.96 105.19 104.88 2roq n GLY 11 Ca 0.05 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2roq n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2roq s ARG 12 N 0.35 3.08 -0.31 1.61 1.70 -1.26 0.11 118.95 124.23 2roq s ARG 12 Ca 0.00 0.76 -0.06 0.00 -0.47 0.00 0.00 55.73 55.96 2roq s ARG 12 Cb 0.00 -4.23 0.24 0.00 -0.57 0.00 0.00 34.95 30.39 2roq s ARG 12 CO 0.00 -2.18 1.21 0.00 -1.08 0.00 0.00 175.30 173.24 2roq n ALA 13 N 10.83 -3.94 -2.05 7.88 0.00 -1.26 -4.55 120.51 127.42 2roq n ALA 13 Ca 0.18 0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.38 2roq n ALA 13 Cb 0.50 -3.50 -0.05 0.00 0.00 0.00 0.00 19.45 16.40 2roq n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2roq s PRO 14 N 0.58 2.57 -0.00 0.00 0.04 -1.26 -4.23 135.00 132.69 2roq s PRO 14 Ca 0.24 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.08 2roq s PRO 14 Cb 0.17 -4.99 0.01 0.00 0.04 0.00 0.00 34.50 29.73 2roq s PRO 14 CO -0.09 -3.30 0.21 1.17 0.04 0.00 0.00 177.00 175.02 2roq n LYS 15 N 8.89 0.02 0.00 4.56 4.81 -1.26 -4.98 118.16 130.20 2roq n LYS 15 Ca 0.38 -0.04 0.10 0.00 -0.87 0.00 0.00 58.31 57.87 2roq n LYS 15 Cb 0.47 0.34 -0.08 0.00 0.02 0.00 0.00 35.03 35.78 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2roq n ALA 16 N -0.02 4.28 0.00 3.14 0.00 -1.26 -4.82 120.51 121.83 2roq n ALA 16 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2roq n ALA 16 Cb 0.35 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 1.45 1.44 0.14 0.00 0.00 -1.26 -4.06 105.19 102.91 2roq n GLY 17 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2roq n GLY 17 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2roq h SER 18 N 0.00 0.00 0.61 1.61 0.02 -1.94 -3.21 113.55 110.63 2roq h SER 18 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2roq h SER 18 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2roq h SER 18 CO 0.00 0.44 -0.65 -0.62 -1.14 0.00 0.00 176.83 174.85 2roq n GLU 19 N -3.16 0.16 0.03 3.45 1.02 -1.26 -3.99 120.64 116.89 2roq n GLU 19 Ca 0.01 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 2roq n GLU 19 Cb 0.72 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 30.51 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 1.34 -0.53 2.62 2.02 -1.86 -2.24 112.91 114.26 2roq h THR 20 Ca 0.00 -2.20 -0.05 0.00 0.77 0.00 0.00 66.41 64.93 2roq h THR 20 Cb 0.63 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 2roq h THR 20 CO 0.00 0.67 0.15 0.16 0.37 0.00 0.00 175.52 176.87 2roq h ILE 21 N 0.36 1.24 -0.15 3.11 -0.00 -1.69 -2.21 117.51 118.16 2roq h ILE 21 Ca -0.07 -0.83 -0.05 0.00 -0.00 0.00 0.00 64.86 63.91 2roq h ILE 21 Cb 1.47 0.77 -0.00 0.00 -0.00 0.00 0.00 36.82 39.06 2roq h ILE 21 CO 0.16 0.31 -0.11 0.16 -0.00 0.00 0.00 178.15 178.66 2roq h ILE 22 N 0.74 1.33 -0.59 0.16 3.07 -1.72 -2.28 117.51 118.22 2roq h ILE 22 Ca 0.17 -1.22 0.10 0.00 1.55 0.00 0.00 64.86 65.45 2roq h ILE 22 Cb 0.31 1.81 -0.08 0.00 -0.27 0.00 0.00 36.82 38.59 2roq h ILE 22 CO -0.00 0.36 0.18 0.00 -1.05 0.00 0.00 178.15 177.64 2roq h ALA 23 N 0.64 0.73 -0.04 0.16 0.00 -1.34 0.01 119.26 119.41 2roq h ALA 23 Ca 0.03 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 23 Cb 0.62 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2roq h ALA 23 CO 0.03 -0.24 -0.37 0.00 0.00 0.00 0.00 179.25 178.66 2roq h ALA 24 N 1.43 1.30 -0.27 0.00 0.00 -1.39 -2.38 119.26 117.95 2roq h ALA 24 Ca 0.30 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2roq h ALA 24 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2roq h ALA 24 CO -0.34 0.50 -0.27 0.00 0.00 0.00 0.00 179.25 179.15 2roq h ALA 25 N 1.55 1.02 0.24 0.00 0.00 -0.44 -2.12 119.26 119.52 2roq h ALA 25 Ca 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2roq h ALA 25 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2roq h ALA 25 CO 0.05 0.59 -0.12 0.74 0.00 0.00 0.00 179.25 180.51 2roq h PHE 26 N 0.47 -0.30 -0.18 0.00 0.04 -0.96 -0.43 116.94 115.58 2roq h PHE 26 Ca 0.06 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.88 2roq h PHE 26 Cb 0.72 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 2roq h PHE 26 CO 0.03 -0.19 0.41 0.66 -0.60 0.00 0.00 178.31 178.62 2roq h SER 27 N -0.89 0.00 0.43 2.17 4.64 -1.52 0.95 113.55 119.32 2roq h SER 27 Ca -0.03 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.98 2roq h SER 27 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 2roq h SER 27 CO 0.05 0.00 -1.76 -1.20 -0.87 0.00 0.00 176.83 173.06 2roq n SER 28 N -3.22 1.11 -0.01 4.97 7.64 -0.80 -0.14 113.62 123.18 2roq n SER 28 Ca 0.02 0.38 -0.00 0.00 1.01 0.00 0.00 58.87 60.28 2roq n SER 28 Cb 0.51 -0.22 -0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2roq n SER 28 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2roq h LEU 29 N 0.01 0.00 0.00 -3.43 3.38 0.14 -3.46 115.31 111.95 2roq h LEU 29 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2roq h LEU 29 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 2roq h LEU 29 CO 0.08 0.07 -0.49 0.00 0.09 0.00 0.00 178.44 178.19 2roq n LEU 30 N -2.39 0.16 -0.33 1.67 -0.00 0.40 -4.80 117.00 111.70 2roq n LEU 30 Ca -0.00 0.00 0.23 0.00 -0.00 0.00 0.00 56.01 56.24 2roq n LEU 30 Cb 0.01 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 43.89 2roq n LEU 30 CO 0.00 0.03 1.10 1.23 -0.00 0.00 0.00 177.39 179.75 2roq h GLY 31 N 0.00 2.03 0.00 1.47 0.00 0.52 -3.44 103.07 103.64 2roq h GLY 31 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2roq h GLY 31 CO 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 176.54 176.04 2roq n ASP 33 N 2.68 0.90 -4.77 0.00 9.92 -1.26 -4.69 116.55 119.34 2roq n ASP 33 Ca 0.00 -2.43 -0.39 0.00 -0.53 0.00 0.00 54.79 51.44 2roq n ASP 33 Cb 0.00 -0.30 -0.03 0.00 -0.64 0.00 0.00 41.12 40.16 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2roq s VAL 34 N -1.05 3.19 -0.02 2.53 1.01 -1.17 -4.92 120.40 119.97 2roq s VAL 34 Ca 0.15 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.20 2roq s VAL 34 Cb 0.14 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.92 2roq s VAL 34 CO -0.01 0.15 0.79 1.67 0.00 0.00 0.00 175.10 177.70 2roq n GLN 35 N 0.41 0.08 -1.32 2.72 7.27 -1.26 -4.23 117.38 121.06 2roq n GLN 35 Ca 0.02 -0.76 -0.00 0.00 0.07 0.00 0.00 57.00 56.33 2roq n GLN 35 Cb 0.46 0.49 0.00 0.00 2.41 0.00 0.00 30.24 33.59 2roq n GLN 35 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2roq n ASP 36 N -0.09 0.59 0.00 1.69 8.00 -1.26 -4.05 116.55 121.42 2roq n ASP 36 Ca -0.20 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.27 2roq n ASP 36 Cb 0.60 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.98 1.89 -1.65 2.24 0.00 0.12 -4.69 120.51 115.44 2roq n ALA 37 Ca -0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 2roq n ALA 37 Cb 0.01 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.57 2roq n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2roq n ASP 38 N -0.68 4.35 -4.72 0.00 8.00 -1.25 -0.86 116.55 121.39 2roq n ASP 38 Ca 0.00 -3.78 -0.39 0.00 0.71 0.00 0.00 54.79 51.32 2roq n ASP 38 Cb 0.01 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 40.47 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2roq s ALA 39 N -3.49 3.36 -0.22 2.24 0.00 -1.26 -4.85 121.76 117.53 2roq s ALA 39 Ca 0.51 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 2roq s ALA 39 Cb 0.43 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 2roq s ALA 39 CO 0.01 -0.09 0.17 -0.51 0.00 0.00 0.00 175.76 175.34 2roq s ASP 40 N 0.78 6.19 0.31 0.00 1.11 -1.26 -2.65 116.67 121.13 2roq s ASP 40 Ca 0.36 0.20 0.03 0.00 0.18 0.00 0.00 52.55 53.32 2roq s ASP 40 Cb -0.17 -2.11 0.79 0.00 1.07 0.00 0.00 42.92 42.49 2roq s ASP 40 CO 0.17 0.10 1.60 -0.26 1.18 0.00 0.00 175.17 177.96 2roq h PHE 41 N 7.14 0.15 0.04 4.23 -1.00 -1.95 0.47 116.94 126.03 2roq h PHE 41 Ca -0.39 0.06 0.01 0.00 2.81 0.00 0.00 57.97 60.46 2roq h PHE 41 Cb 1.16 0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.78 2roq h PHE 41 CO 0.63 -0.37 -0.32 0.74 -1.61 0.00 0.00 178.31 177.39 2roq h PHE 42 N 0.07 -0.93 0.00 -0.55 0.04 -1.92 0.38 116.94 114.02 2roq h PHE 42 Ca 0.60 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.40 2roq h PHE 42 Cb 1.28 0.40 0.00 0.00 2.20 0.00 0.00 35.95 39.82 2roq h PHE 42 CO -0.38 -0.35 0.00 0.00 -0.60 0.00 0.00 178.31 176.98 2roq h ALA 43 N -0.92 1.00 0.00 2.45 0.00 -1.44 0.12 119.26 120.47 2roq h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2roq h ALA 43 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2roq h ALA 43 CO -0.19 0.00 -0.51 1.28 0.00 0.00 0.00 179.25 179.83 2roq n LEU 44 N -2.79 0.59 -0.01 0.00 4.77 0.06 -4.92 117.00 114.71 2roq n LEU 44 Ca -0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2roq n LEU 44 Cb 0.08 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2roq n LEU 44 CO 0.17 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2roq n GLY 45 N 1.39 0.89 3.63 -0.72 0.00 0.93 -4.34 105.19 106.98 2roq n GLY 45 Ca 0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.01 -0.56 3.90 -0.02 0.00 0.94 -4.84 105.19 104.61 2roq n GLY 46 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.39 2roq n GLY 46 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2roq s HIS 47 N -2.46 0.01 0.36 1.61 2.46 -1.26 -4.01 115.29 112.00 2roq s HIS 47 Ca 0.67 -0.11 0.06 0.00 0.47 0.00 0.00 55.06 56.14 2roq s HIS 47 Cb -0.24 0.55 0.70 0.00 -0.13 0.00 0.00 32.58 33.45 2roq s HIS 47 CO 0.58 -0.24 1.94 0.00 -2.47 0.00 0.00 174.74 174.55 2roq h ALA 48 N 2.00 1.49 0.11 1.58 0.00 -1.96 0.23 119.26 122.72 2roq h ALA 48 Ca -0.24 -0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.17 2roq h ALA 48 Cb 1.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2roq h ALA 48 CO 0.31 0.38 -1.98 1.28 0.00 0.00 0.00 179.25 179.23 2roq n LEU 49 N -4.34 2.61 0.08 0.00 4.32 -1.26 -3.17 117.00 115.24 2roq n LEU 49 Ca 0.02 0.20 -0.13 0.00 -0.02 0.00 0.00 56.01 56.08 2roq n LEU 49 Cb 0.18 -1.10 -0.08 0.00 -1.62 0.00 0.00 43.42 40.80 2roq n LEU 49 CO 0.38 0.83 0.69 -0.07 -1.22 0.00 0.00 177.39 177.99 2roq h LEU 50 N -0.00 -0.16 -1.58 2.23 -0.00 -1.86 0.25 115.31 114.19 2roq h LEU 50 Ca -0.43 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.88 57.21 2roq h LEU 50 Cb 1.98 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 42.68 2roq h LEU 50 CO 0.06 0.11 -0.22 0.00 -0.00 0.00 0.00 178.44 178.38 2roq h ALA 51 N 0.39 1.37 0.00 1.53 0.00 -0.74 -1.62 119.26 120.19 2roq h ALA 51 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2roq h ALA 51 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2roq h ALA 51 CO 0.03 0.28 -0.00 1.98 0.00 0.00 0.00 179.25 181.54 2roq h MET 52 N 0.00 -0.00 -0.60 0.00 1.85 -1.47 -2.15 114.93 112.55 2roq h MET 52 Ca -0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2roq h MET 52 Cb 0.48 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.48 2roq h MET 52 CO 0.03 0.85 0.37 0.87 -0.40 0.00 0.00 176.91 178.63 2roq h LYS 53 N -0.87 0.81 0.05 0.39 1.57 -0.43 -2.23 116.57 115.87 2roq h LYS 53 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2roq h LYS 53 Cb 0.85 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2roq h LYS 53 CO 0.00 0.56 -0.03 1.25 -0.57 0.00 0.00 179.45 180.67 2roq h LEU 54 N 0.83 -0.06 -0.63 2.94 6.46 -1.38 -1.36 115.31 122.11 2roq h LEU 54 Ca 0.22 -0.49 0.13 0.00 -0.12 0.00 0.00 57.88 57.62 2roq h LEU 54 Cb -0.05 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 39.80 2roq h LEU 54 CO -0.04 0.48 0.04 0.00 -0.62 0.00 0.00 178.44 178.30 2roq h ALA 55 N 0.26 0.66 -0.13 1.25 0.00 -1.18 0.33 119.26 120.45 2roq h ALA 55 Ca -0.01 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 55 Cb 0.54 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2roq h ALA 55 CO 0.01 -0.38 -0.50 0.00 0.00 0.00 0.00 179.25 178.39 2roq h ALA 56 N 1.56 0.91 -0.52 0.00 0.00 -1.46 -1.68 119.26 118.08 2roq h ALA 56 Ca 0.33 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2roq h ALA 56 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2roq h ALA 56 CO -0.51 0.66 -0.12 0.37 0.00 0.00 0.00 179.25 179.66 2roq h GLN 57 N 0.27 1.00 -0.09 0.00 4.15 0.26 -2.28 115.11 118.42 2roq h GLN 57 Ca 0.01 -0.38 -0.07 0.00 0.77 0.00 0.00 58.65 58.98 2roq h GLN 57 Cb 0.97 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.61 2roq h GLN 57 CO 0.08 1.06 -0.22 -0.07 -1.93 0.00 0.00 178.83 177.75 2roq h LEU 58 N 0.87 0.35 -2.06 -2.39 3.38 -0.38 0.42 115.31 115.51 2roq h LEU 58 Ca 0.13 -0.58 0.06 0.00 0.09 0.00 0.00 57.88 57.57 2roq h LEU 58 Cb 0.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2roq h LEU 58 CO 0.05 0.87 0.15 0.77 0.09 0.00 0.00 178.44 180.37 2roq h SER 59 N -0.15 0.00 0.52 -0.43 4.64 -1.30 0.37 113.55 117.19 2roq h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2roq h SER 59 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2roq h SER 59 CO 0.05 0.00 -1.23 -2.11 -0.87 0.00 0.00 176.83 172.67 2roq n ARG 60 N -4.36 0.47 0.09 4.77 1.85 -0.86 -2.02 116.66 116.59 2roq n ARG 60 Ca 0.02 -0.01 0.12 0.00 -1.00 0.00 0.00 57.85 56.98 2roq n ARG 60 Cb 0.28 -1.65 0.01 0.00 -1.05 0.00 0.00 32.46 30.05 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 -2.25 0.55 0.00 2.89 1.13 0.13 -3.92 117.38 115.91 2roq n GLN 61 Ca 0.00 0.09 0.08 0.00 -1.94 0.00 0.00 57.00 55.23 2roq n GLN 61 Cb 0.50 -1.78 0.03 0.00 0.11 0.00 0.00 30.24 29.10 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 -2.54 0.00 -1.47 5.09 0.24 0.11 -4.96 118.33 114.79 2roq n VAL 62 Ca 0.00 -0.40 -0.15 0.00 -2.04 0.00 0.00 64.34 61.75 2roq n VAL 62 Cb 0.53 1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 34.10 2roq n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq n ALA 63 N 0.32 -0.24 -3.77 2.33 0.00 -1.18 -4.98 120.51 112.99 2roq n ALA 63 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2roq n ALA 63 Cb 0.37 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.56 1.93 -3.91 0.00 3.00 -0.86 -5.03 116.66 109.23 2roq n ARG 64 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.40 2roq n ARG 64 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.81 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 -1.82 1.35 0.70 -0.14 -1.52 -1.26 -4.45 119.66 112.53 2roq s GLN 65 Ca 0.00 -1.82 -0.13 0.00 -1.95 0.00 0.00 55.36 51.47 2roq s GLN 65 Cb 0.00 -2.84 0.02 0.00 -0.22 0.00 0.00 33.01 29.97 2roq s GLN 65 CO 0.00 -1.00 1.09 0.54 -0.25 0.00 0.00 175.29 175.67 2roq s VAL 66 N 0.83 3.46 0.07 1.09 0.11 -1.26 -5.03 120.40 119.66 2roq s VAL 66 Ca 0.12 0.56 -0.17 0.00 -2.93 0.00 0.00 61.98 59.57 2roq s VAL 66 Cb -0.20 -3.10 -0.06 0.00 -1.53 0.00 0.00 36.38 31.48 2roq s VAL 66 CO -0.10 -0.53 0.52 0.42 -3.33 0.00 0.00 175.10 172.08 2roq s THR 67 N -2.69 4.85 -0.87 5.04 -4.23 -1.26 -4.97 115.64 111.51 2roq s THR 67 Ca 0.63 1.02 -0.23 0.00 -1.18 0.00 0.00 61.69 61.93 2roq s THR 67 Cb -0.18 -3.81 -0.15 0.00 1.34 0.00 0.00 72.50 69.71 2roq s THR 67 CO 0.49 0.50 1.91 -0.81 -0.54 0.00 0.00 174.62 176.17 2roq n PRO 68 N 1.55 1.47 0.00 3.99 -0.04 -1.26 -2.25 135.00 138.46 2roq n PRO 68 Ca -0.10 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 2roq n PRO 68 Cb 0.51 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 2roq n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 69 N 4.95 0.94 2.20 0.55 0.00 -1.26 -5.01 105.19 107.56 2roq n GLY 69 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 2roq n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2roq n GLN 70 N 0.00 2.12 0.02 1.61 0.00 -0.95 -4.07 117.38 116.11 2roq n GLN 70 Ca 0.00 -1.96 0.00 0.00 -0.00 0.00 0.00 57.00 55.04 2roq n GLN 70 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 28.34 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 0.66 0.04 -2.89 1.69 0.31 -1.26 -4.74 118.33 112.14 2roq n VAL 71 Ca 0.40 0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 64.34 2roq n VAL 71 Cb 0.58 -0.71 -0.04 0.00 -0.91 0.00 0.00 33.84 32.75 2roq n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2roq s MET 72 N -2.00 4.54 0.00 5.55 0.23 -1.26 -3.38 119.30 122.98 2roq s MET 72 Ca 0.00 1.18 0.00 0.00 -1.03 0.00 0.00 55.69 55.84 2roq s MET 72 Cb 0.00 -3.40 0.00 0.00 -1.53 0.00 0.00 34.83 29.90 2roq s MET 72 CO 0.00 0.16 0.00 1.33 -2.03 0.00 0.00 175.02 174.48 2roq n VAL 73 N 3.23 0.00 -0.03 5.16 0.24 -1.26 -4.85 118.33 120.81 2roq n VAL 73 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.18 2roq n VAL 73 Cb 0.50 -0.22 -0.08 0.00 -1.47 0.00 0.00 33.84 32.57 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq h ALA 74 N 0.00 0.09 -1.66 2.33 0.00 -1.90 -3.42 119.26 114.70 2roq h ALA 74 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2roq h ALA 74 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2roq h ALA 74 CO 0.00 -0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.55 2roq n SER 75 N -4.75 0.00 -1.37 0.00 7.64 -1.26 -5.04 113.62 108.84 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 0.28 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 -1.06 0.00 0.11 0.44 5.66 -1.26 -4.81 114.28 113.36 2roq n THR 76 Ca 0.00 -0.03 -0.14 0.00 -3.05 0.00 0.00 64.05 60.83 2roq n THR 76 Cb 0.00 0.08 -0.09 0.00 -1.55 0.00 0.00 70.33 68.77 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 1.13 0.00 -0.61 1.08 2.07 -1.39 0.43 116.25 118.97 2roq h VAL 77 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2roq h VAL 77 Cb 0.15 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.81 2roq h VAL 77 CO 0.04 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.22 2roq h ALA 78 N -0.72 -0.24 -0.82 1.67 0.00 -1.32 0.21 119.26 118.04 2roq h ALA 78 Ca -0.01 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2roq h ALA 78 Cb 0.66 0.93 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2roq h ALA 78 CO -0.23 -0.79 0.55 -0.22 0.00 0.00 0.00 179.25 178.56 2roq h LYS 79 N -0.20 1.06 -0.92 0.00 3.11 -1.75 -2.07 116.57 115.80 2roq h LYS 79 Ca 0.20 -0.06 0.14 0.00 -2.81 0.00 0.00 60.65 58.12 2roq h LYS 79 Cb 0.56 -0.24 -0.09 0.00 -1.00 0.00 0.00 32.23 31.46 2roq h LYS 79 CO -0.71 0.70 0.53 -0.07 -2.81 0.00 0.00 179.45 177.10 2roq h LEU 80 N 1.09 0.71 -0.40 5.20 -0.00 0.31 0.35 115.31 122.57 2roq h LEU 80 Ca 0.31 0.07 -0.06 0.00 -0.00 0.00 0.00 57.88 58.20 2roq h LEU 80 Cb -0.09 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 2roq h LEU 80 CO -0.07 0.33 -0.28 0.00 -0.00 0.00 0.00 178.44 178.42 2roq h ALA 81 N 1.55 0.87 0.00 1.53 0.00 -0.69 -2.25 119.26 120.27 2roq h ALA 81 Ca 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2roq h ALA 81 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2roq h ALA 81 CO -0.32 0.35 -0.42 1.15 0.00 0.00 0.00 179.25 180.01 2roq h THR 82 N 0.00 0.00 0.01 0.00 2.02 -0.23 -2.24 112.91 112.47 2roq h THR 82 Ca -0.00 -0.82 -0.33 0.00 0.77 0.00 0.00 66.41 66.03 2roq h THR 82 Cb 1.07 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 2roq h THR 82 CO 0.04 0.00 -2.01 2.30 0.37 0.00 0.00 175.52 176.22 2roq n ILE 83 N -2.65 1.55 0.06 3.11 -5.35 0.92 -1.87 119.36 115.13 2roq n ILE 83 Ca 0.03 -0.79 -0.01 0.00 -0.27 0.00 0.00 62.75 61.71 2roq n ILE 83 Cb 0.50 -0.95 -0.06 0.00 -1.74 0.00 0.00 39.64 37.39 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 0.75 0.01 7.28 3.07 -1.51 -2.84 117.51 124.28 2roq h ILE 84 Ca -0.40 -2.27 -0.30 0.00 1.55 0.00 0.00 64.86 63.43 2roq h ILE 84 Cb 2.09 2.26 -0.05 0.00 -0.27 0.00 0.00 36.82 40.85 2roq h ILE 84 CO 0.05 0.43 -1.78 -0.67 -1.05 0.00 0.00 178.15 175.13 2roq n ASP 85 N -3.04 0.94 -2.66 2.16 2.03 -0.84 -4.68 116.55 110.46 2roq n ASP 85 Ca -0.06 0.37 -0.04 0.00 0.52 0.00 0.00 54.79 55.58 2roq n ASP 85 Cb 0.84 -0.07 0.06 0.00 -0.72 0.00 0.00 41.12 41.22 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 -2.61 -3.91 -0.61 -1.67 0.00 -1.07 -5.06 120.51 105.57 2roq n ALA 86 Ca -0.19 0.02 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 2roq n ALA 86 Cb 1.06 -3.47 0.26 0.00 0.00 0.00 0.00 19.45 17.29 2roq n ALA 86 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2roq s GLU 87 N 0.57 -1.49 0.04 0.00 -1.05 -0.78 -4.55 118.70 111.44 2roq s GLU 87 Ca 0.24 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.54 2roq s GLU 87 Cb 0.17 -1.52 0.00 0.00 -0.44 0.00 0.00 34.13 32.35 2roq s GLU 87 CO -0.09 -4.01 0.00 -1.91 0.95 0.00 0.00 175.26 170.20 2roq n GLU 88 N -5.07 0.00 -4.18 -4.83 0.00 -1.26 -4.99 120.64 100.31 2roq n GLU 88 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.06 2roq n GLU 88 Cb 0.57 -0.47 -0.06 0.00 0.00 0.00 0.00 31.44 31.48 2roq n GLU 88 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2roq s ASP 89 N -5.37 1.17 -0.44 4.31 -1.08 -1.26 -5.12 116.67 108.89 2roq s ASP 89 Ca 0.00 -1.59 0.05 0.00 -0.52 0.00 0.00 52.55 50.49 2roq s ASP 89 Cb 0.00 0.59 0.19 0.00 -1.46 0.00 0.00 42.92 42.24 2roq s ASP 89 CO 0.00 -1.16 0.40 -1.20 0.52 0.00 0.00 175.17 173.73 2roq n SER 90 N -1.36 0.07 -3.21 -0.34 7.64 -1.26 -5.04 113.62 110.11 2roq n SER 90 Ca 0.04 -2.54 -0.01 0.00 1.01 0.00 0.00 58.87 57.37 2roq n SER 90 Cb 0.62 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 2roq n SER 90 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2roq s THR 91 N -0.39 -0.85 -0.11 0.44 2.01 -1.26 -5.13 115.64 110.35 2roq s THR 91 Ca 0.33 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 62.21 2roq s THR 91 Cb 0.06 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.61 2roq s THR 91 CO -0.18 -0.11 -0.07 0.00 -0.69 0.00 0.00 174.62 173.58 2roq s ARG 92 N 2.72 1.46 -1.18 4.92 1.70 -1.26 -5.03 118.95 122.27 2roq s ARG 92 Ca 0.11 -0.23 -0.08 0.00 -0.47 0.00 0.00 55.73 55.06 2roq s ARG 92 Cb -0.11 -1.54 -0.11 0.00 -0.57 0.00 0.00 34.95 32.62 2roq s ARG 92 CO -0.27 -0.27 2.81 0.54 -1.08 0.00 0.00 175.30 177.03 2roq n ARG 93 N 4.95 2.98 0.00 3.89 1.74 -1.26 -3.74 116.66 125.22 2roq n ARG 93 Ca -0.12 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.17 2roq n ARG 93 Cb 0.50 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 2roq n ARG 93 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2roq n MET 94 N 3.56 0.00 0.01 5.56 2.81 -1.26 -4.80 117.12 123.00 2roq n MET 94 Ca 0.64 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 56.41 2roq n MET 94 Cb 0.30 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.82 2roq n MET 94 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2roq h GLY 95 N 0.00 0.62 -0.22 3.03 0.00 -1.79 -2.96 103.07 101.75 2roq h GLY 95 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.51 2roq h GLY 95 CO 0.00 0.73 0.00 0.33 0.00 0.00 0.00 176.54 177.60 2roq n PHE 96 N -3.90 0.13 -3.86 5.60 7.35 -1.25 -4.76 117.46 116.76 2roq n PHE 96 Ca -0.05 -0.06 -0.23 0.00 -0.76 0.00 0.00 57.45 56.35 2roq n PHE 96 Cb 0.69 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.46 2roq n PHE 96 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2roq s GLU 97 N -1.87 2.39 0.32 -4.13 0.41 -1.12 -5.01 118.70 109.69 2roq s GLU 97 Ca 0.28 -1.66 0.26 0.00 -0.41 0.00 0.00 54.97 53.44 2roq s GLU 97 Cb 0.14 -2.19 1.03 0.00 -1.78 0.00 0.00 34.13 31.33 2roq s GLU 97 CO 0.22 -0.12 1.78 1.15 -0.49 0.00 0.00 175.26 177.80 2roq h THR 98 N 1.26 0.00 -3.75 3.63 2.02 -1.89 -3.44 112.91 110.73 2roq h THR 98 Ca -0.42 -0.34 -0.58 0.00 0.77 0.00 0.00 66.41 65.84 2roq h THR 98 Cb 1.26 1.17 -0.21 0.00 -1.74 0.00 0.00 68.15 68.63 2roq h THR 98 CO 0.63 0.00 -0.82 -0.63 0.37 0.00 0.00 175.52 175.07 2roq s ILE 99 N -3.37 1.86 -0.30 3.11 -1.09 -1.26 -3.87 121.20 116.28 2roq s ILE 99 Ca 0.04 -1.68 -0.02 0.00 -2.23 0.00 0.00 60.65 56.76 2roq s ILE 99 Cb 0.09 -1.72 0.10 0.00 -1.58 0.00 0.00 42.46 39.36 2roq s ILE 99 CO 0.46 -0.09 0.11 -0.22 -1.23 0.00 0.00 174.94 173.96 2roq s LEU 100 N -2.13 1.69 -0.57 2.97 0.20 -1.25 -4.33 118.68 115.26 2roq s LEU 100 Ca 0.10 -1.52 -0.27 0.00 0.69 0.00 0.00 54.13 53.13 2roq s LEU 100 Cb -0.09 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 44.95 2roq s LEU 100 CO 0.05 -0.42 1.84 -2.16 -0.29 0.00 0.00 176.35 175.37 2roq s PRO 101 N 1.77 2.74 0.26 0.98 0.04 -1.26 -4.00 135.00 135.54 2roq s PRO 101 Ca 0.09 0.71 0.24 0.00 0.04 0.00 0.00 61.00 62.09 2roq s PRO 101 Cb -0.17 -4.35 0.33 0.00 0.04 0.00 0.00 34.50 30.35 2roq s PRO 101 CO -0.29 -2.60 1.42 -0.07 0.04 0.00 0.00 177.00 175.50 2roq h LEU 102 N 15.98 0.00 -6.35 -3.56 3.38 -1.94 -3.46 115.31 119.36 2roq h LEU 102 Ca -0.27 -0.05 0.23 0.00 0.09 0.00 0.00 57.88 57.88 2roq h LEU 102 Cb 1.16 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.63 2roq h LEU 102 CO 1.19 0.02 0.52 -0.60 0.09 0.00 0.00 178.44 179.66 2roq s ARG 103 N -3.22 0.10 -0.04 1.13 3.52 -1.02 -4.92 118.95 114.49 2roq s ARG 103 Ca 0.05 0.22 -0.03 0.00 -0.13 0.00 0.00 55.73 55.85 2roq s ARG 103 Cb 0.09 0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 2roq s ARG 103 CO 0.70 -0.03 0.09 -1.83 -0.81 0.00 0.00 175.30 173.43 2roq s GLU 104 N 1.90 0.08 0.00 5.12 -1.05 -1.26 0.09 118.70 123.57 2roq s GLU 104 Ca -0.02 0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.00 2roq s GLU 104 Cb -0.02 -0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 2roq s GLU 104 CO -0.15 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.39 2roq n GLY 105 N 3.50 0.82 0.35 -3.83 0.00 -1.26 -4.99 105.19 99.77 2roq n GLY 105 Ca -0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 0.63 2.56 0.00 1.61 4.13 -1.26 -4.99 115.26 117.94 2roq n ASN 106 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2roq n ASN 106 Cb 0.41 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2roq n GLY 107 N 3.27 -1.01 3.70 7.41 0.00 -1.26 -4.79 105.19 112.50 2roq n GLY 107 Ca -0.02 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 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 4.29 -0.15 1.61 0.04 -1.26 -4.60 135.00 134.93 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 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 2roq s PRO 108 CO 0.00 -0.54 0.99 0.99 0.04 0.00 0.00 177.00 178.49 2roq s THR 109 N 1.97 4.77 -0.43 1.26 2.01 -1.25 -2.12 115.64 121.84 2roq s THR 109 Ca 0.65 1.99 0.03 0.00 0.31 0.00 0.00 61.69 64.66 2roq s THR 109 Cb -0.34 -4.29 0.12 0.00 0.01 0.00 0.00 72.50 68.00 2roq s THR 109 CO 0.28 -0.04 0.19 -0.22 -0.69 0.00 0.00 174.62 174.14 2roq s LEU 110 N 2.35 3.75 -0.70 4.42 0.20 0.98 -3.97 118.68 125.71 2roq s LEU 110 Ca 0.46 -2.55 -0.26 0.00 0.69 0.00 0.00 54.13 52.47 2roq s LEU 110 Cb -0.17 -1.39 0.04 0.00 -0.43 0.00 0.00 46.19 44.24 2roq s LEU 110 CO 0.14 -0.30 1.21 -0.36 -0.29 0.00 0.00 176.35 176.75 2roq s PHE 111 N 0.38 2.40 -0.71 5.38 0.40 -1.01 -1.33 117.98 123.49 2roq s PHE 111 Ca 0.15 -0.07 -0.27 0.00 -0.60 0.00 0.00 56.93 56.14 2roq s PHE 111 Cb -0.23 -4.54 0.03 0.00 0.51 0.00 0.00 43.02 38.79 2roq s PHE 111 CO -0.05 -1.93 1.25 0.00 0.70 0.00 0.00 175.22 175.19 2roq s PHE 113 N 5.52 1.91 -0.80 0.00 2.19 0.14 -3.10 117.98 123.85 2roq s PHE 113 Ca 0.35 0.32 0.02 0.00 0.33 0.00 0.00 56.93 57.96 2roq s PHE 113 Cb -0.08 -3.97 0.20 0.00 -1.31 0.00 0.00 43.02 37.85 2roq s PHE 113 CO 0.16 -3.61 0.65 0.72 1.83 0.00 0.00 175.22 174.97 2roq n HIS 114 N 8.09 3.72 0.18 10.12 8.25 -1.24 -4.34 115.22 139.99 2roq n HIS 114 Ca 0.19 -4.22 0.03 0.00 -0.26 0.00 0.00 57.72 53.46 2roq n HIS 114 Cb 0.44 -0.87 0.32 0.00 1.12 0.00 0.00 29.99 31.00 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 5.61 0.00 0.00 -0.41 0.13 -1.86 -3.43 132.00 132.03 2roq h PRO 115 Ca 0.16 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.12 2roq h PRO 115 Cb 0.77 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.00 2roq h PRO 115 CO 0.79 0.43 -0.08 0.00 -0.23 0.00 0.00 178.00 178.91 2roq n ALA 116 N -2.41 -2.48 -3.71 -0.56 0.00 -1.26 -4.99 120.51 105.10 2roq n ALA 116 Ca -0.01 -0.72 -0.28 0.00 0.00 0.00 0.00 53.44 52.43 2roq n ALA 116 Cb 0.48 -0.06 -0.16 0.00 0.00 0.00 0.00 19.45 19.70 2roq n ALA 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roq s SER 117 N -2.45 2.98 0.00 0.00 0.15 -1.26 -4.97 113.70 108.15 2roq s SER 117 Ca 0.31 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2roq s SER 117 Cb -0.06 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2roq s SER 117 CO 0.26 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2roq n GLY 118 N 5.07 -0.73 2.81 9.45 0.00 -1.26 -4.74 105.19 115.79 2roq n GLY 118 Ca -0.08 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 2roq n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2roq s PHE 119 N 0.00 0.13 -0.60 1.61 0.40 -1.26 -3.29 117.98 114.97 2roq s PHE 119 Ca 0.00 0.06 0.16 0.00 -0.60 0.00 0.00 56.93 56.55 2roq s PHE 119 Cb 0.00 -0.26 0.71 0.00 0.51 0.00 0.00 43.02 43.98 2roq s PHE 119 CO 0.00 -0.09 1.62 0.00 0.70 0.00 0.00 175.22 177.46 2roq n ALA 120 N 3.96 3.33 0.83 5.36 0.00 -1.26 -4.39 120.51 128.34 2roq n ALA 120 Ca -0.25 -1.83 0.10 0.00 0.00 0.00 0.00 53.44 51.45 2roq n ALA 120 Cb 0.52 -0.97 0.47 0.00 0.00 0.00 0.00 19.45 19.47 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 0.60 0.00 -0.59 0.00 8.01 -1.26 -2.73 117.44 121.47 2roq n TRP 121 Ca 0.25 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.37 2roq n TRP 121 Cb 0.99 -0.38 0.23 0.00 -2.01 0.00 0.00 31.31 30.13 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 -1.38 2.98 -0.04 -0.99 0.00 -1.26 -3.62 117.38 113.07 2roq n GLN 122 Ca 0.07 -2.37 0.10 0.00 -0.00 0.00 0.00 57.00 54.80 2roq n GLN 122 Cb 0.19 -2.00 0.49 0.00 0.00 0.00 0.00 30.24 28.92 2roq n GLN 122 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2roq n PHE 123 N -0.15 0.10 -0.34 3.69 -1.74 -1.10 -4.13 117.46 113.78 2roq n PHE 123 Ca 0.34 -0.05 0.20 0.00 -0.56 0.00 0.00 57.45 57.38 2roq n PHE 123 Cb 1.20 0.00 0.44 0.00 1.52 0.00 0.00 39.48 42.64 2roq n PHE 123 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2roq h SER 124 N 1.18 0.58 -0.88 5.98 0.87 -1.77 0.26 113.55 119.77 2roq h SER 124 Ca 0.00 0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.75 2roq h SER 124 Cb 0.26 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 2roq h SER 124 CO 0.00 0.08 0.55 1.62 -0.53 0.00 0.00 176.83 178.55 2roq h VAL 125 N 0.50 1.03 0.35 2.23 3.04 -1.95 0.23 116.25 121.67 2roq h VAL 125 Ca 0.64 -0.34 -0.02 0.00 -1.01 0.00 0.00 66.70 65.97 2roq h VAL 125 Cb 1.37 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2roq h VAL 125 CO -0.42 0.18 -0.17 0.25 -1.01 0.00 0.00 177.57 176.41 2roq h LEU 126 N 0.98 -0.40 -1.89 3.16 6.46 -0.81 0.99 115.31 123.80 2roq h LEU 126 Ca 0.39 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2roq h LEU 126 Cb 0.21 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2roq h LEU 126 CO -0.19 0.02 0.00 0.77 -0.62 0.00 0.00 178.44 178.43 2roq h SER 127 N -0.91 0.00 -0.01 1.25 4.64 -1.23 0.22 113.55 117.51 2roq h SER 127 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2roq h SER 127 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2roq h SER 127 CO 0.08 0.00 -0.72 -1.14 -0.87 0.00 0.00 176.83 174.18 2roq n ARG 128 N -2.56 0.93 -0.12 4.77 3.00 0.80 -3.10 116.66 120.37 2roq n ARG 128 Ca -0.02 -0.37 -0.24 0.00 -0.00 0.00 0.00 57.85 57.23 2roq n ARG 128 Cb 0.07 -1.41 -0.09 0.00 0.00 0.00 0.00 32.46 31.03 2roq n ARG 128 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2roq n TYR 129 N -0.91 0.00 0.00 -0.14 4.02 0.39 -4.97 117.16 115.55 2roq n TYR 129 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 2roq n TYR 129 Cb 0.35 -0.87 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 2roq n TYR 129 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 2roq n LEU 130 N -3.90 0.00 -4.61 7.72 -0.00 0.50 -4.96 117.00 111.75 2roq n LEU 130 Ca -0.46 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.12 2roq n LEU 130 Cb 0.85 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.25 2roq n LEU 130 CO 0.06 0.00 1.39 -1.81 -0.00 0.00 0.00 177.39 177.03 2roq s ASP 131 N -0.52 6.20 0.17 1.45 1.11 -1.26 -4.89 116.67 118.94 2roq s ASP 131 Ca 0.00 1.30 -0.07 0.00 0.18 0.00 0.00 52.55 53.96 2roq s ASP 131 Cb 0.00 -2.53 0.05 0.00 1.07 0.00 0.00 42.92 41.51 2roq s ASP 131 CO 0.00 -1.46 1.51 1.55 1.18 0.00 0.00 175.17 177.96 2roq h PRO 132 N 11.45 0.79 0.00 8.23 0.13 -1.87 -3.38 132.00 147.35 2roq h PRO 132 Ca -0.32 -0.42 -0.15 0.00 -0.87 0.00 0.00 66.00 64.24 2roq h PRO 132 Cb 1.14 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 2roq h PRO 132 CO 1.03 1.05 -0.26 0.94 -0.23 0.00 0.00 178.00 180.53 2roq n GLN 133 N -4.04 0.95 -1.55 0.86 7.27 -1.26 -4.84 117.38 114.76 2roq n GLN 133 Ca -0.02 -1.09 -0.11 0.00 0.07 0.00 0.00 57.00 55.85 2roq n GLN 133 Cb 0.54 0.43 0.06 0.00 2.41 0.00 0.00 30.24 33.68 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 -1.08 -3.19 -2.22 3.69 5.03 -1.26 -4.80 117.44 113.60 2roq n TRP 134 Ca -0.19 -0.85 -0.42 0.00 3.03 0.00 0.00 57.50 59.06 2roq n TRP 134 Cb 0.81 -0.36 -0.03 0.00 -1.03 0.00 0.00 31.31 30.70 2roq n TRP 134 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2roq s SER 135 N -3.01 6.83 -0.11 -0.99 0.15 -0.90 -4.65 113.70 111.02 2roq s SER 135 Ca 0.33 2.04 -0.08 0.00 0.70 0.00 0.00 55.95 58.94 2roq s SER 135 Cb -0.02 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.78 2roq s SER 135 CO 0.22 -0.77 0.27 -0.63 1.20 0.00 0.00 173.24 173.53 2roq s ILE 136 N 3.00 -0.02 -0.14 6.45 1.01 0.11 -0.01 121.20 131.61 2roq s ILE 136 Ca 0.64 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 61.33 2roq s ILE 136 Cb -0.30 -0.40 0.05 0.00 0.01 0.00 0.00 42.46 41.82 2roq s ILE 136 CO 0.24 0.03 0.05 -0.63 0.00 0.00 0.00 174.94 174.63 2roq s ILE 137 N 0.73 0.24 -0.27 2.92 1.01 -0.44 -2.44 121.20 122.95 2roq s ILE 137 Ca -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 2roq s ILE 137 Cb -0.06 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.74 2roq s ILE 137 CO -0.05 -0.08 0.01 -0.83 0.00 0.00 0.00 174.94 174.00 2roq s GLY 138 N 2.00 1.71 -0.81 6.18 0.00 -1.26 -0.81 107.32 114.33 2roq s GLY 138 Ca 0.02 -1.44 -0.25 0.00 0.00 0.00 0.00 44.72 43.05 2roq s GLY 138 CO -0.07 0.58 1.60 -0.42 0.00 0.00 0.00 173.10 174.79 2roq s ILE 139 N 1.42 3.62 -0.00 0.90 -1.09 -1.18 -3.84 121.20 121.04 2roq s ILE 139 Ca 0.02 -0.09 -0.20 0.00 -2.23 0.00 0.00 60.65 58.14 2roq s ILE 139 Cb -0.17 -4.53 0.04 0.00 -1.58 0.00 0.00 42.46 36.23 2roq s ILE 139 CO -0.01 -1.46 0.44 -1.58 -1.23 0.00 0.00 174.94 171.10 2roq s GLN 140 N 6.13 0.86 0.06 2.79 2.00 -1.25 -3.73 119.66 126.51 2roq s GLN 140 Ca 0.53 -0.14 -0.27 0.00 -2.00 0.00 0.00 55.36 53.48 2roq s GLN 140 Cb -0.07 0.39 0.09 0.00 0.80 0.00 0.00 33.01 34.22 2roq s GLN 140 CO 0.07 -0.27 0.80 -1.54 -0.50 0.00 0.00 175.29 173.85 2roq s SER 141 N -1.55 -0.42 0.85 6.67 1.04 -1.26 -4.47 113.70 114.57 2roq s SER 141 Ca -0.10 -0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 2roq s SER 141 Cb -0.02 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.66 2roq s SER 141 CO 0.03 -0.75 1.09 -2.16 0.98 0.00 0.00 173.24 172.43 2roq s PRO 142 N -3.33 1.62 -0.33 4.02 0.04 -1.21 -4.02 135.00 131.79 2roq s PRO 142 Ca 0.04 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.02 2roq s PRO 142 Cb -0.01 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.83 2roq s PRO 142 CO -0.10 -2.02 0.30 1.03 0.04 0.00 0.00 177.00 176.25 2roq s ARG 143 N -4.93 0.45 0.03 4.56 1.81 -1.26 -4.97 118.95 114.64 2roq s ARG 143 Ca 0.63 -0.57 -0.22 0.00 -1.72 0.00 0.00 55.73 53.85 2roq s ARG 143 Cb -0.18 -0.80 -0.16 0.00 -0.45 0.00 0.00 34.95 33.37 2roq s ARG 143 CO 0.57 -1.11 1.33 -1.00 -0.68 0.00 0.00 175.30 174.41 2roq h PRO 144 N 7.70 0.28 0.00 3.54 0.13 -1.99 -3.39 132.00 138.27 2roq h PRO 144 Ca -0.05 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 2roq h PRO 144 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2roq h PRO 144 CO 0.29 0.68 -1.17 -1.71 -0.23 0.00 0.00 178.00 175.86 2roq n ASN 145 N -4.63 4.34 -3.38 1.44 5.15 -1.26 -4.94 115.26 111.99 2roq n ASN 145 Ca -0.07 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.80 2roq n ASN 145 Cb 0.33 0.76 0.00 0.00 -0.53 0.00 0.00 39.78 40.35 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2roq n GLY 146 N 2.66 -1.26 0.06 8.20 0.00 -1.26 -4.93 105.19 108.66 2roq n GLY 146 Ca -0.03 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 0.04 0.04 -0.00 1.61 0.13 -1.98 -3.28 132.00 128.56 2roq h PRO 147 Ca -0.29 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2roq h PRO 147 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2roq h PRO 147 CO 0.34 0.52 -0.70 -1.33 -0.23 0.00 0.00 178.00 176.59 2roq n MET 148 N -4.82 0.09 0.03 0.86 2.81 -1.26 -4.00 117.12 110.83 2roq n MET 148 Ca -0.08 -0.06 0.08 0.00 -1.81 0.00 0.00 57.70 55.82 2roq n MET 148 Cb 0.26 -1.50 0.35 0.00 -0.71 0.00 0.00 33.22 31.62 2roq n MET 148 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2roq n GLN 149 N -1.40 0.04 0.37 0.03 7.27 -1.24 -0.14 117.38 122.32 2roq n GLN 149 Ca 0.05 0.30 -0.15 0.00 0.07 0.00 0.00 57.00 57.27 2roq n GLN 149 Cb 0.34 -1.59 -0.07 0.00 2.41 0.00 0.00 30.24 31.33 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2roq h THR 150 N 0.00 0.00 0.00 1.69 1.35 -1.69 -3.37 112.91 110.88 2roq h THR 150 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 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 -0.55 0.00 -0.25 0.00 0.00 175.52 174.72 2roq n ALA 151 N -2.63 1.26 1.38 6.62 0.00 -1.22 -4.71 120.51 121.21 2roq n ALA 151 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.37 2roq n ALA 151 Cb 0.38 0.05 0.19 0.00 0.00 0.00 0.00 19.45 20.08 2roq n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 152 N -1.01 2.49 -0.08 0.00 0.00 0.80 -4.08 120.51 118.63 2roq n ALA 152 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 2roq n ALA 152 Cb 0.10 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 2roq n ALA 152 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2roq h ASN 153 N 1.27 0.33 0.01 0.00 -1.07 -0.70 0.30 115.58 115.71 2roq h ASN 153 Ca 0.00 -0.07 -0.07 0.00 0.07 0.00 0.00 56.30 56.22 2roq h ASN 153 Cb 0.29 -0.08 -0.01 0.00 -2.07 0.00 0.00 38.32 36.44 2roq h ASN 153 CO 0.00 0.31 -0.19 -0.07 0.07 0.00 0.00 177.43 177.54 2roq h LEU 154 N 0.32 0.33 -0.07 6.14 3.38 -1.88 -0.08 115.31 123.45 2roq h LEU 154 Ca 0.09 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2roq h LEU 154 Cb 0.05 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.72 2roq h LEU 154 CO -0.02 0.54 -0.49 0.44 0.09 0.00 0.00 178.44 179.00 2roq h ASP 155 N 0.31 0.55 -0.25 -0.43 3.32 -1.70 -1.24 116.42 116.98 2roq h ASP 155 Ca 0.05 -0.68 -0.04 0.00 0.02 0.00 0.00 57.03 56.39 2roq h ASP 155 Cb 0.52 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2roq h ASP 155 CO 0.03 1.14 -0.00 -0.33 -1.72 0.00 0.00 179.24 178.36 2roq h GLU 156 N 0.00 0.44 -0.10 3.56 4.39 -0.28 -2.07 114.58 120.53 2roq h GLU 156 Ca -0.04 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.43 2roq h GLU 156 Cb 1.16 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2roq h GLU 156 CO 0.10 0.61 -0.36 -0.39 -1.16 0.00 0.00 179.01 177.82 2roq h VAL 157 N 0.21 1.28 0.51 3.13 -1.51 -1.10 -1.85 116.25 116.93 2roq h VAL 157 Ca 0.07 -1.36 -0.03 0.00 -1.23 0.00 0.00 66.70 64.16 2roq h VAL 157 Cb 0.42 1.61 0.01 0.00 -2.13 0.00 0.00 31.29 31.19 2roq h VAL 157 CO 0.01 0.40 -0.25 0.00 -1.23 0.00 0.00 177.57 176.51 2roq h GLU 159 N -0.98 -0.48 -0.97 0.00 4.39 -1.39 -2.01 114.58 113.14 2roq h GLU 159 Ca -0.07 0.03 0.21 0.00 0.34 0.00 0.00 59.36 59.87 2roq h GLU 159 Cb 0.61 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.28 2roq h GLU 159 CO 0.12 -0.32 0.62 0.00 -1.16 0.00 0.00 179.01 178.26 2roq h ALA 160 N 0.16 1.99 -0.89 3.43 0.00 -1.42 0.23 119.26 122.76 2roq h ALA 160 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2roq h ALA 160 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2roq h ALA 160 CO 0.04 -0.33 0.00 0.72 0.00 0.00 0.00 179.25 179.68 2roq n HIS 161 N -4.63 0.00 -0.24 0.00 8.25 -0.65 -1.80 115.22 116.15 2roq n HIS 161 Ca 0.22 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.72 2roq n HIS 161 Cb 0.67 -0.35 0.14 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.31 -0.02 2.41 -0.00 -1.24 0.36 115.31 116.51 2roq h LEU 162 Ca 0.00 0.18 0.03 0.00 -0.00 0.00 0.00 57.88 58.09 2roq h LEU 162 Cb 0.00 0.32 -0.06 0.00 -0.00 0.00 0.00 40.66 40.92 2roq h LEU 162 CO 0.00 -0.15 -0.45 0.00 -0.00 0.00 0.00 178.44 177.84 2roq h ALA 163 N 1.66 -0.72 0.00 1.53 0.00 -0.64 0.38 119.26 121.48 2roq h ALA 163 Ca 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2roq h ALA 163 Cb 0.67 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2roq h ALA 163 CO -0.62 -0.99 0.00 2.41 0.00 0.00 0.00 179.25 180.05 2roq n THR 164 N -5.45 0.86 -0.07 0.00 -1.04 -0.58 -1.75 114.28 106.25 2roq n THR 164 Ca -0.06 0.21 -0.09 0.00 -2.04 0.00 0.00 64.05 62.07 2roq n THR 164 Cb 0.38 -0.97 -0.06 0.00 -1.82 0.00 0.00 70.33 67.86 2roq n THR 164 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2roq h LEU 165 N 0.00 0.00 -0.11 -4.42 3.38 0.23 -1.88 115.31 112.51 2roq h LEU 165 Ca 0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2roq h LEU 165 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2roq h LEU 165 CO 0.00 0.89 0.00 0.18 0.09 0.00 0.00 178.44 179.60 2roq n LEU 166 N -4.63 0.20 -0.12 1.67 7.99 0.11 0.18 117.00 122.40 2roq n LEU 166 Ca -0.11 0.53 -0.26 0.00 -0.01 0.00 0.00 56.01 56.17 2roq n LEU 166 Cb 0.33 -0.49 -0.11 0.00 -0.11 0.00 0.00 43.42 43.04 2roq n LEU 166 CO 0.16 -0.21 -1.01 -0.62 -1.51 0.00 0.00 177.39 174.19 2roq n GLU 167 N -1.70 0.59 0.13 3.23 1.02 -0.72 -4.31 120.64 118.87 2roq n GLU 167 Ca 0.05 0.40 0.04 0.00 -0.02 0.00 0.00 57.16 57.62 2roq n GLU 167 Cb 0.26 -1.61 0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2roq n GLU 167 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2roq h GLN 168 N -0.93 0.00 -3.58 3.49 5.75 -1.37 -3.42 115.11 115.05 2roq h GLN 168 Ca -0.53 0.00 -0.59 0.00 -0.15 0.00 0.00 58.65 57.37 2roq h GLN 168 Cb 1.50 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.65 2roq h GLN 168 CO -0.30 0.36 -0.75 -0.65 -2.65 0.00 0.00 178.83 174.84 2roq s GLN 169 N -3.01 0.81 0.00 1.69 -1.52 0.13 -4.97 119.66 112.79 2roq s GLN 169 Ca 0.03 -1.22 0.12 0.00 -1.95 0.00 0.00 55.36 52.35 2roq s GLN 169 Cb 0.08 -2.10 0.74 0.00 -0.22 0.00 0.00 33.01 31.51 2roq s GLN 169 CO 0.75 -1.00 1.17 -0.35 -0.25 0.00 0.00 175.29 175.61 2roq n PRO 170 N 4.68 0.49 -2.04 2.91 -0.04 -1.26 -3.96 135.00 135.79 2roq n PRO 170 Ca -0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.29 2roq n PRO 170 Cb 0.41 -1.40 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 2roq n PRO 170 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2roq n HIS 171 N -0.90 -3.02 0.00 0.54 -0.00 -1.26 -5.09 115.22 105.50 2roq n HIS 171 Ca 0.09 -1.27 0.00 0.00 0.46 0.00 0.00 57.72 57.00 2roq n HIS 171 Cb 0.04 -0.51 0.00 0.00 -0.12 0.00 0.00 29.99 29.41 2roq n HIS 171 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2roq n GLY 172 N -0.41 0.08 3.58 1.57 0.00 -1.26 -4.90 105.19 103.85 2roq n GLY 172 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.81 3.12 0.31 1.61 0.04 0.80 -4.51 135.00 135.56 2roq s PRO 173 Ca 0.00 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.12 2roq s PRO 173 Cb 0.00 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 2roq s PRO 173 CO 0.00 -2.13 0.16 0.71 0.04 0.00 0.00 177.00 175.78 2roq s TYR 174 N 7.45 1.61 0.03 0.56 2.02 -1.26 -4.50 117.35 123.25 2roq s TYR 174 Ca 0.72 -1.36 -0.19 0.00 -0.37 0.00 0.00 57.07 55.88 2roq s TYR 174 Cb -0.17 -0.87 -0.06 0.00 -0.40 0.00 0.00 41.96 40.45 2roq s TYR 174 CO 0.29 -0.51 0.53 0.71 -1.57 0.00 0.00 175.55 175.00 2roq s TYR 175 N -3.59 3.75 0.18 2.71 2.02 -1.26 -2.60 117.35 118.56 2roq s TYR 175 Ca 0.35 1.18 -0.02 0.00 -0.37 0.00 0.00 57.07 58.21 2roq s TYR 175 Cb 0.05 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 2roq s TYR 175 CO 0.17 0.53 0.14 -0.51 -1.57 0.00 0.00 175.55 174.31 2roq s LEU 176 N -0.82 1.29 -0.09 -1.29 1.43 -0.40 -2.40 118.68 116.39 2roq s LEU 176 Ca 0.28 -1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 51.97 2roq s LEU 176 Cb -0.18 0.51 0.03 0.00 0.03 0.00 0.00 46.19 46.58 2roq s LEU 176 CO 0.17 -0.83 0.38 -0.22 0.23 0.00 0.00 176.35 176.08 2roq s LEU 177 N -3.10 0.57 0.15 1.79 2.96 -1.21 -0.18 118.68 119.66 2roq s LEU 177 Ca 0.31 0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 54.66 2roq s LEU 177 Cb 0.06 1.38 -0.01 0.00 0.50 0.00 0.00 46.19 48.13 2roq s LEU 177 CO 0.07 -0.27 0.26 -0.83 -1.32 0.00 0.00 176.35 174.26 2roq s GLY 178 N -0.42 0.37 0.00 7.98 0.00 0.82 -0.68 107.32 115.38 2roq s GLY 178 Ca -0.06 -0.80 -0.19 0.00 0.00 0.00 0.00 44.72 43.67 2roq s GLY 178 CO 0.02 -0.82 0.42 -2.52 0.00 0.00 0.00 173.10 170.21 2roq s TYR 179 N -3.94 -0.30 0.00 1.90 1.13 -1.26 -0.34 117.35 114.53 2roq s TYR 179 Ca 0.14 0.42 0.00 0.00 -1.41 0.00 0.00 57.07 56.22 2roq s TYR 179 Cb 0.04 0.20 0.00 0.00 -1.10 0.00 0.00 41.96 41.10 2roq s TYR 179 CO -0.03 -0.50 0.00 0.45 -2.51 0.00 0.00 175.55 172.96 2roq n SER 180 N 0.91 0.00 0.01 -0.18 2.88 -0.73 -1.06 113.62 115.45 2roq n SER 180 Ca -0.20 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.46 2roq n SER 180 Cb 0.58 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.22 2roq n SER 180 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2roq n LEU 181 N 0.00 0.58 -0.05 2.46 4.32 -1.26 -4.12 117.00 118.94 2roq n LEU 181 Ca 0.00 -0.03 0.24 0.00 -0.02 0.00 0.00 56.01 56.21 2roq n LEU 181 Cb 0.00 -0.20 0.72 0.00 -1.62 0.00 0.00 43.42 42.32 2roq n LEU 181 CO 0.00 0.11 1.22 1.23 -1.22 0.00 0.00 177.39 178.73 2roq h GLY 182 N 4.89 0.00 0.00 -0.72 0.00 -1.40 -2.10 103.07 103.74 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 -1.61 -2.71 0.26 4.60 0.00 -1.26 0.13 105.19 104.61 2roq n GLY 183 Ca 0.13 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 1.13 0.36 2.61 1.35 -1.83 -2.11 112.91 114.42 2roq h THR 184 Ca 0.00 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2roq h THR 184 Cb 0.00 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 66.60 2roq h THR 184 CO 0.00 0.16 -0.43 -0.07 -0.25 0.00 0.00 175.52 174.93 2roq h LEU 185 N 0.85 -1.19 -0.67 3.87 -0.00 -1.39 -2.03 115.31 114.75 2roq h LEU 185 Ca 0.25 0.11 0.12 0.00 -0.00 0.00 0.00 57.88 58.36 2roq h LEU 185 Cb -0.04 0.41 -0.09 0.00 -0.00 0.00 0.00 40.66 40.94 2roq h LEU 185 CO -0.08 -0.57 0.22 0.00 -0.00 0.00 0.00 178.44 178.01 2roq h ALA 186 N -0.49 0.88 0.14 1.53 0.00 -0.17 -2.02 119.26 119.13 2roq h ALA 186 Ca -0.03 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2roq h ALA 186 Cb 0.75 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2roq h ALA 186 CO -0.10 -0.25 -0.49 1.96 0.00 0.00 0.00 179.25 180.37 2roq h GLN 187 N 0.36 -0.70 -0.89 0.00 4.20 -0.94 0.22 115.11 117.36 2roq h GLN 187 Ca 0.36 0.05 0.19 0.00 0.06 0.00 0.00 58.65 59.30 2roq h GLN 187 Cb 0.53 0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 2roq h GLN 187 CO -0.39 -0.47 0.58 0.78 -0.67 0.00 0.00 178.83 178.67 2roq h GLY 188 N -0.73 0.99 0.54 3.46 0.00 -0.94 -1.77 103.07 104.62 2roq h GLY 188 Ca -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2roq h GLY 188 CO -0.25 0.01 -0.02 -2.22 0.00 0.00 0.00 176.54 174.07 2roq h ILE 189 N 0.49 1.29 -0.77 2.60 1.08 -0.55 -2.09 117.51 119.56 2roq h ILE 189 Ca 0.46 -1.04 0.14 0.00 -0.39 0.00 0.00 64.86 64.03 2roq h ILE 189 Cb 1.03 1.98 -0.09 0.00 -3.07 0.00 0.00 36.82 36.67 2roq h ILE 189 CO -0.19 0.26 0.32 0.00 -0.69 0.00 0.00 178.15 177.86 2roq h ALA 190 N 0.44 1.10 -0.29 1.87 0.00 0.21 0.35 119.26 122.93 2roq h ALA 190 Ca -0.00 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2roq h ALA 190 Cb 0.47 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2roq h ALA 190 CO 0.01 -0.19 -0.27 0.00 0.00 0.00 0.00 179.25 178.79 2roq h ALA 191 N 1.55 0.97 -0.74 0.00 0.00 -1.38 -2.09 119.26 117.56 2roq h ALA 191 Ca 0.42 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2roq h ALA 191 Cb 0.63 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2roq h ALA 191 CO -0.39 0.60 0.25 0.00 0.00 0.00 0.00 179.25 179.71 2roq h ARG 192 N 0.52 1.14 0.09 0.00 2.47 -0.26 -2.12 114.38 116.23 2roq h ARG 192 Ca 0.07 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2roq h ARG 192 Cb 0.74 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2roq h ARG 192 CO 0.06 0.96 -0.05 -0.07 0.56 0.00 0.00 179.97 181.43 2roq h LEU 193 N 1.10 -0.11 -2.19 3.04 3.38 -1.04 0.30 115.31 119.79 2roq h LEU 193 Ca 0.24 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.86 2roq h LEU 193 Cb 0.28 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2roq h LEU 193 CO -0.01 0.38 0.27 -0.09 0.09 0.00 0.00 178.44 179.08 2roq h ARG 194 N -0.63 0.00 0.00 1.13 1.12 -0.93 0.15 114.38 115.22 2roq h ARG 194 Ca -0.01 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.80 2roq h ARG 194 Cb 0.51 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 2roq h ARG 194 CO 0.02 0.00 -1.92 0.00 -3.11 0.00 0.00 179.97 174.97 2roq n ALA 195 N -2.21 2.56 0.75 2.80 0.00 -0.80 -4.15 120.51 119.46 2roq n ALA 195 Ca 0.02 -0.60 0.13 0.00 0.00 0.00 0.00 53.44 52.99 2roq n ALA 195 Cb 0.38 -0.72 0.45 0.00 0.00 0.00 0.00 19.45 19.55 2roq n ALA 195 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2roq n ARG 196 N -2.40 0.18 0.00 0.00 0.63 0.10 -4.90 116.66 110.27 2roq n ARG 196 Ca -0.08 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2roq n ARG 196 Cb 0.66 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.88 2roq n ARG 196 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2roq n GLY 197 N 1.38 2.05 4.02 5.14 0.00 -0.46 -5.05 105.19 112.26 2roq n GLY 197 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.15 2.55 0.25 1.61 0.41 -0.41 -4.97 118.70 117.98 2roq s GLU 198 Ca 0.00 -1.38 0.06 0.00 -0.41 0.00 0.00 54.97 53.24 2roq s GLU 198 Cb 0.00 -2.68 -0.05 0.00 -1.78 0.00 0.00 34.13 29.62 2roq s GLU 198 CO 0.00 -0.59 -0.05 1.14 -0.49 0.00 0.00 175.26 175.27 2roq s GLN 199 N -4.54 1.43 -0.25 1.61 -2.07 -1.26 -2.26 119.66 112.33 2roq s GLN 199 Ca 0.58 -1.71 -0.06 0.00 -1.82 0.00 0.00 55.36 52.35 2roq s GLN 199 Cb -0.08 -0.94 -0.02 0.00 -1.09 0.00 0.00 33.01 30.88 2roq s GLN 199 CO 0.36 0.01 0.04 0.14 -1.32 0.00 0.00 175.29 174.53 2roq s VAL 200 N -3.16 4.06 -0.03 3.63 -7.23 -1.26 -0.14 120.40 116.27 2roq s VAL 200 Ca 0.28 -0.28 -0.20 0.00 -1.81 0.00 0.00 61.98 59.96 2roq s VAL 200 Cb 0.04 -2.90 -0.14 0.00 0.56 0.00 0.00 36.38 33.94 2roq s VAL 200 CO 0.10 0.34 0.89 0.00 -0.31 0.00 0.00 175.10 176.12 2roq h ALA 201 N 8.21 -0.38 -1.82 1.32 0.00 -1.78 -3.43 119.26 121.36 2roq h ALA 201 Ca -0.39 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.40 2roq h ALA 201 Cb 1.17 0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.90 2roq h ALA 201 CO 0.59 -0.44 -0.18 0.12 0.00 0.00 0.00 179.25 179.33 2roq s PHE 202 N -3.71 -1.35 -0.33 0.00 5.36 -1.07 -4.63 117.98 112.24 2roq s PHE 202 Ca -0.12 2.12 -0.09 0.00 -0.96 0.00 0.00 56.93 57.88 2roq s PHE 202 Cb 0.01 0.71 0.01 0.00 -0.34 0.00 0.00 43.02 43.41 2roq s PHE 202 CO 0.42 -0.70 0.16 -0.51 -1.46 0.00 0.00 175.22 173.13 2roq s LEU 203 N 2.86 4.28 0.19 6.12 1.43 -1.23 -1.28 118.68 131.06 2roq s LEU 203 Ca 0.00 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.06 2roq s LEU 203 Cb -0.13 -1.98 -0.08 0.00 0.03 0.00 0.00 46.19 44.03 2roq s LEU 203 CO -0.19 -0.26 1.11 -0.83 0.23 0.00 0.00 176.35 176.40 2roq s GLY 204 N 1.56 2.85 -0.04 -3.19 0.00 0.75 -3.21 107.32 106.04 2roq s GLY 204 Ca 0.03 0.83 -0.01 0.00 0.00 0.00 0.00 44.72 45.58 2roq s GLY 204 CO 0.06 1.66 0.02 1.08 0.00 0.00 0.00 173.10 175.91 2roq s LEU 205 N -0.47 0.75 -0.24 0.66 1.02 -0.49 -0.13 118.68 119.78 2roq s LEU 205 Ca 0.49 -0.00 -0.03 0.00 0.02 0.00 0.00 54.13 54.61 2roq s LEU 205 Cb -0.30 -0.23 0.01 0.00 0.02 0.00 0.00 46.19 45.69 2roq s LEU 205 CO 0.36 -0.16 -0.05 -0.76 0.02 0.00 0.00 176.35 175.76 2roq s LEU 206 N 1.55 3.06 -0.23 1.79 1.02 0.54 -2.20 118.68 124.20 2roq s LEU 206 Ca -0.02 -0.63 -0.02 0.00 0.02 0.00 0.00 54.13 53.48 2roq s LEU 206 Cb -0.13 -1.71 0.01 0.00 0.02 0.00 0.00 46.19 44.38 2roq s LEU 206 CO -0.03 -0.08 0.04 0.47 0.02 0.00 0.00 176.35 176.77 2roq n ASP 207 N 4.75 -5.63 -2.84 2.29 8.00 0.43 -1.77 116.55 121.78 2roq n ASP 207 Ca -0.17 1.15 -0.03 0.00 0.71 0.00 0.00 54.79 56.45 2roq n ASP 207 Cb 0.49 -4.52 0.01 0.00 -0.02 0.00 0.00 41.12 37.08 2roq n ASP 207 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2roq s THR 208 N -1.17 -0.93 0.76 -3.53 2.01 -1.22 -4.22 115.64 107.34 2roq s THR 208 Ca -0.05 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 2roq s THR 208 Cb 0.00 0.00 -0.02 0.00 0.01 0.00 0.00 72.50 72.49 2roq s THR 208 CO 0.64 0.00 0.57 0.79 -0.69 0.00 0.00 174.62 175.93 2roq n TRP 209 N 3.21 -0.70 -1.23 4.92 7.02 -1.26 -4.96 117.44 124.44 2roq n TRP 209 Ca 0.16 0.34 -0.30 0.00 -1.02 0.00 0.00 57.50 56.67 2roq n TRP 209 Cb 0.57 -1.92 0.11 0.00 -2.42 0.00 0.00 31.31 27.66 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 2roq s PRO 210 N -2.98 1.80 -0.32 -0.99 0.04 -1.26 -4.94 135.00 126.34 2roq s PRO 210 Ca 0.65 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 2roq s PRO 210 Cb -0.33 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2roq s PRO 210 CO 0.59 -1.91 1.68 -1.25 0.04 0.00 0.00 177.00 176.14 2roq s PRO 211 N -4.92 3.48 0.00 0.56 0.04 -1.26 -4.49 135.00 128.41 2roq s PRO 211 Ca 0.62 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2roq s PRO 211 Cb -0.17 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2roq s PRO 211 CO 0.56 -1.68 0.00 -0.85 0.04 0.00 0.00 177.00 175.08 2roq n GLU 212 N 8.20 0.00 -3.98 4.56 0.28 -1.26 -5.17 120.64 123.28 2roq n GLU 212 Ca 0.21 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.23 2roq n GLU 212 Cb 0.47 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.35 2roq n GLU 212 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2roq s THR 213 N -0.46 0.00 -0.88 3.84 -4.23 -1.26 -5.05 115.64 107.60 2roq s THR 213 Ca 0.00 -0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 60.27 2roq s THR 213 Cb 0.00 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 2roq s THR 213 CO 0.00 0.00 0.77 0.00 -0.54 0.00 0.00 174.62 174.85 2roq n GLN 214 N -0.88 -2.27 -3.74 3.99 1.13 -1.26 -5.01 117.38 109.34 2roq n GLN 214 Ca 0.03 0.72 -0.12 0.00 -1.94 0.00 0.00 57.00 55.68 2roq n GLN 214 Cb 0.59 -5.11 -0.08 0.00 0.11 0.00 0.00 30.24 25.75 2roq n GLN 214 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2roq s ASN 215 N -3.41 -0.18 0.58 1.08 0.01 -1.26 -4.88 114.94 106.87 2roq s ASN 215 Ca 0.34 -0.06 0.29 0.00 -0.71 0.00 0.00 52.86 52.72 2roq s ASN 215 Cb -0.04 0.36 1.46 0.00 0.41 0.00 0.00 41.25 43.43 2roq s ASN 215 CO 0.61 -0.57 1.87 4.11 -1.51 0.00 0.00 177.10 181.61 2roq h TRP 216 N 3.37 0.00 0.02 2.20 5.08 -1.90 0.29 115.95 125.00 2roq h TRP 216 Ca -0.31 0.00 -0.28 0.00 1.08 0.00 0.00 58.89 59.38 2roq h TRP 216 Cb 1.19 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.31 2roq h TRP 216 CO 0.47 0.00 -1.60 0.37 -1.28 0.00 0.00 178.44 176.39 2roq h GLN 217 N 0.00 0.04 -1.01 0.12 -0.00 -1.95 -3.24 115.11 109.06 2roq h GLN 217 Ca 0.28 -0.06 0.24 0.00 -0.00 0.00 0.00 58.65 59.11 2roq h GLN 217 Cb 1.38 0.02 -0.10 0.00 0.00 0.00 0.00 27.48 28.78 2roq h GLN 217 CO -0.00 0.67 0.64 1.49 0.00 0.00 0.00 178.83 181.62 2roq h GLU 218 N 0.01 0.48 -0.65 1.69 4.22 -0.80 -3.38 114.58 116.16 2roq h GLU 218 Ca -0.25 -0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.22 2roq h GLU 218 Cb 1.98 -0.11 -0.19 0.00 0.50 0.00 0.00 28.75 30.93 2roq h GLU 218 CO 0.09 0.32 -0.26 0.15 -2.18 0.00 0.00 179.01 177.13 2roq s LYS 219 N -5.60 0.47 0.56 1.92 -0.14 -1.18 -4.97 119.74 110.79 2roq s LYS 219 Ca -0.09 0.03 0.30 0.00 -1.36 0.00 0.00 55.97 54.84 2roq s LYS 219 Cb 0.25 0.10 1.46 0.00 -1.68 0.00 0.00 37.83 37.97 2roq s LYS 219 CO 0.80 -0.74 1.90 0.93 -0.76 0.00 0.00 175.35 177.48 2roq h GLU 220 N 6.81 0.00 0.00 1.68 4.39 -1.74 0.57 114.58 126.30 2roq h GLU 220 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2roq h GLU 220 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2roq h GLU 220 CO 0.03 0.00 -0.77 0.00 -1.16 0.00 0.00 179.01 177.10 2roq n ALA 221 N -2.57 0.68 -1.35 3.43 0.00 -1.26 -3.92 120.51 115.52 2roq n ALA 221 Ca 0.14 -0.65 -0.27 0.00 0.00 0.00 0.00 53.44 52.65 2roq n ALA 221 Cb 0.81 0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.29 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 -4.33 6.82 0.00 0.00 5.15 -1.15 -4.18 115.26 117.57 2roq n ASN 222 Ca -0.11 -3.35 0.00 0.00 -0.60 0.00 0.00 54.58 50.53 2roq n ASN 222 Cb 0.40 -1.12 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 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 0.24 -0.13 3.55 8.20 0.00 0.19 -4.67 105.19 112.57 2roq n GLY 223 Ca 0.46 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.90 3.24 0.53 0.99 1.43 -0.85 -4.79 118.68 115.34 2roq s LEU 224 Ca 0.00 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 2roq s LEU 224 Cb 0.00 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.60 2roq s LEU 224 CO 0.00 -1.87 1.02 -1.81 0.23 0.00 0.00 176.35 173.92 2roq s ASP 225 N 4.65 6.24 0.00 2.29 1.11 -1.26 -4.90 116.67 124.79 2roq s ASP 225 Ca 0.42 1.77 0.15 0.00 0.18 0.00 0.00 52.55 55.07 2roq s ASP 225 Cb -0.07 -2.53 0.81 0.00 1.07 0.00 0.00 42.92 42.20 2roq s ASP 225 CO 0.10 -0.85 1.38 -0.81 1.18 0.00 0.00 175.17 176.17 2roq n PRO 226 N -1.54 0.31 0.08 8.23 -0.04 -1.26 -2.61 135.00 138.18 2roq n PRO 226 Ca 0.08 0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.45 2roq n PRO 226 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.32 0.01 0.54 5.08 -2.00 -3.14 114.58 115.39 2roq h GLU 227 Ca 0.00 -0.55 -0.19 0.00 -1.00 0.00 0.00 59.36 57.63 2roq h GLU 227 Cb 0.09 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2roq h GLU 227 CO 0.00 1.21 -0.87 -0.24 -1.00 0.00 0.00 179.01 178.11 2roq h VAL 228 N 0.09 1.58 -0.43 3.13 3.04 -1.90 -2.80 116.25 118.96 2roq h VAL 228 Ca -0.25 -2.84 -0.14 0.00 -1.01 0.00 0.00 66.70 62.47 2roq h VAL 228 Cb 2.05 2.55 -0.01 0.00 -2.01 0.00 0.00 31.29 33.87 2roq h VAL 228 CO 0.19 0.81 -0.28 -0.07 -1.01 0.00 0.00 177.57 177.21 2roq h LEU 229 N 0.03 1.00 -0.80 3.16 3.38 -1.67 -2.09 115.31 118.32 2roq h LEU 229 Ca -0.02 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 2roq h LEU 229 Cb 1.52 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2roq h LEU 229 CO 0.12 1.21 -0.52 0.00 0.09 0.00 0.00 178.44 179.34 2roq h ALA 230 N 0.82 0.97 -0.07 1.53 0.00 -1.58 -2.12 119.26 118.81 2roq h ALA 230 Ca 0.09 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2roq h ALA 230 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2roq h ALA 230 CO 0.08 0.65 -0.17 0.93 0.00 0.00 0.00 179.25 180.74 2roq h GLU 231 N 0.00 0.23 -0.22 0.00 4.39 -1.34 -1.78 114.58 115.86 2roq h GLU 231 Ca -0.01 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 2roq h GLU 231 Cb 1.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2roq h GLU 231 CO 0.07 0.76 -0.30 -0.84 -1.16 0.00 0.00 179.01 177.54 2roq h ILE 232 N -0.27 1.28 -0.03 3.13 3.07 -1.40 -1.88 117.51 121.42 2roq h ILE 232 Ca -0.00 -1.35 -0.13 0.00 1.55 0.00 0.00 64.86 64.92 2roq h ILE 232 Cb 0.77 1.45 -0.02 0.00 -0.27 0.00 0.00 36.82 38.75 2roq h ILE 232 CO 0.04 0.42 -0.59 -1.13 -1.05 0.00 0.00 178.15 175.84 2roq h ASN 233 N 0.38 0.11 0.48 2.16 -1.24 -1.40 -2.11 115.58 113.97 2roq h ASN 233 Ca 0.05 -0.06 -0.21 0.00 0.71 0.00 0.00 56.30 56.78 2roq h ASN 233 Cb 0.73 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 2roq h ASN 233 CO 0.06 0.68 -0.93 0.03 -1.29 0.00 0.00 177.43 175.98 2roq h ARG 234 N 0.08 0.29 -0.21 6.67 3.08 -1.05 -2.13 114.38 121.11 2roq h ARG 234 Ca -0.01 -0.32 -0.21 0.00 0.07 0.00 0.00 59.98 59.51 2roq h ARG 234 Cb 1.06 0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.22 2roq h ARG 234 CO 0.08 1.03 -0.69 1.49 -1.07 0.00 0.00 179.97 180.82 2roq h GLU 235 N 0.16 0.83 -0.25 0.04 4.57 -1.26 -1.11 114.58 117.56 2roq h GLU 235 Ca -0.06 -0.61 -0.17 0.00 -1.18 0.00 0.00 59.36 57.33 2roq h GLU 235 Cb 1.56 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.26 2roq h GLU 235 CO 0.15 1.23 -0.53 0.07 -1.18 0.00 0.00 179.01 178.75 2roq h ARG 236 N 0.60 0.72 0.00 1.92 0.11 -1.43 -1.95 114.38 114.34 2roq h ARG 236 Ca -0.03 -0.45 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2roq h ARG 236 Cb 1.31 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2roq h ARG 236 CO 0.15 1.07 0.00 -0.85 0.10 0.00 0.00 179.97 180.44 2roq n GLU 237 N -3.99 0.24 0.06 0.08 0.28 -0.80 -1.44 120.64 115.07 2roq n GLU 237 Ca -0.04 0.22 0.07 0.00 -0.16 0.00 0.00 57.16 57.25 2roq n GLU 237 Cb 0.61 -1.80 -0.05 0.00 1.43 0.00 0.00 31.44 31.63 2roq n GLU 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2roq n ALA 238 N -1.77 2.31 -0.06 -1.84 0.00 -0.42 -3.67 120.51 115.05 2roq n ALA 238 Ca 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 2roq n ALA 238 Cb 0.41 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 2roq n ALA 238 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2roq n PHE 239 N -2.71 0.08 -0.30 0.00 -0.00 -0.75 -4.37 117.46 109.42 2roq n PHE 239 Ca -0.05 0.04 0.19 0.00 -0.00 0.00 0.00 57.45 57.62 2roq n PHE 239 Cb 0.68 -0.40 0.46 0.00 -0.00 0.00 0.00 39.48 40.22 2roq n PHE 239 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2roq h LEU 240 N -0.74 0.52 -0.12 -2.13 7.12 -1.49 -1.69 115.31 116.78 2roq h LEU 240 Ca 0.00 0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.12 2roq h LEU 240 Cb 0.70 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.74 2roq h LEU 240 CO 0.00 0.17 -0.39 0.00 -0.13 0.00 0.00 178.44 178.09 2roq h ALA 241 N 1.62 -0.53 -1.73 1.25 0.00 -1.71 -3.45 119.26 114.70 2roq h ALA 241 Ca 0.54 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 55.07 2roq h ALA 241 Cb 1.22 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 19.63 2roq h ALA 241 CO -0.27 -0.89 -0.38 0.00 0.00 0.00 0.00 179.25 177.71 2roq n ALA 242 N -2.90 -0.39 -3.61 0.00 0.00 -0.64 -1.92 120.51 111.04 2roq n ALA 242 Ca -0.04 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 2roq n ALA 242 Cb 0.35 -1.91 0.05 0.00 0.00 0.00 0.00 19.45 17.95 2roq n ALA 242 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2roq n GLN 243 N -2.45 -5.71 -0.02 0.00 7.27 -1.26 -4.95 117.38 110.25 2roq n GLN 243 Ca -0.20 0.71 -0.01 0.00 0.07 0.00 0.00 57.00 57.57 2roq n GLN 243 Cb 0.63 -5.48 -0.00 0.00 2.41 0.00 0.00 30.24 27.80 2roq n GLN 243 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2roq h GLN 244 N -1.94 0.00 0.00 3.69 -0.00 -1.74 -3.49 115.11 111.63 2roq h GLN 244 Ca -0.60 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.05 2roq h GLN 244 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.83 2roq h GLN 244 CO 0.55 0.00 0.00 0.41 0.00 0.00 0.00 178.83 179.79 2roq n GLY 245 N 1.81 0.46 1.11 2.39 0.00 -1.26 -4.89 105.19 104.81 2roq n GLY 245 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 1.67 0.51 -2.20 1.61 2.88 -1.26 -4.81 113.62 112.01 2roq n SER 246 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2roq n SER 246 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 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 -2.65 3.35 1.84 2.46 -1.04 -1.26 -4.49 114.28 112.49 2roq n THR 247 Ca 0.00 -2.61 0.13 0.00 -2.04 0.00 0.00 64.05 59.52 2roq n THR 247 Cb 0.30 -0.85 0.68 0.00 -1.82 0.00 0.00 70.33 68.63 2roq n THR 247 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2roq n SER 248 N -1.01 0.41 0.00 8.00 7.64 -1.26 -3.22 113.62 124.18 2roq n SER 248 Ca 0.59 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 59.16 2roq n SER 248 Cb 1.08 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 2roq n SER 248 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2roq n THR 249 N -0.60 0.00 0.29 0.44 -1.04 -1.26 -4.34 114.28 107.77 2roq n THR 249 Ca 0.19 0.16 -0.18 0.00 -2.04 0.00 0.00 64.05 62.17 2roq n THR 249 Cb 0.15 -1.06 -0.10 0.00 -1.82 0.00 0.00 70.33 67.50 2roq n THR 249 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2roq h GLU 250 N 0.00 -0.95 0.02 -2.82 4.81 -1.90 0.22 114.58 113.95 2roq h GLU 250 Ca 0.00 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2roq h GLU 250 Cb 0.00 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 2roq h GLU 250 CO 0.00 -0.63 -0.44 1.25 -0.73 0.00 0.00 179.01 178.45 2roq h LEU 251 N -0.99 -1.34 -0.61 1.64 6.46 -1.87 -1.84 115.31 116.77 2roq h LEU 251 Ca -0.06 0.16 0.11 0.00 -0.12 0.00 0.00 57.88 57.97 2roq h LEU 251 Cb 0.86 0.52 -0.09 0.00 -0.73 0.00 0.00 40.66 41.22 2roq h LEU 251 CO -0.06 -0.48 0.13 -0.26 -0.62 0.00 0.00 178.44 177.15 2roq h PHE 252 N -0.61 0.21 -0.92 1.25 -1.00 -1.58 0.17 116.94 114.46 2roq h PHE 252 Ca 0.04 0.04 0.17 0.00 2.81 0.00 0.00 57.97 61.03 2roq h PHE 252 Cb 0.67 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.13 2roq h PHE 252 CO -0.43 -0.03 0.51 1.15 -1.61 0.00 0.00 178.31 177.90 2roq h THR 253 N 0.26 0.69 0.09 -1.55 2.02 0.22 -0.62 112.91 114.04 2roq h THR 253 Ca 0.32 -0.23 -0.29 0.00 0.77 0.00 0.00 66.41 66.98 2roq h THR 253 Cb 0.48 -0.03 0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2roq h THR 253 CO -0.41 0.12 -1.20 0.74 0.37 0.00 0.00 175.52 175.15 2roq h THR 254 N 0.67 1.30 0.42 3.16 2.02 -0.38 -1.78 112.91 118.32 2roq h THR 254 Ca 0.53 -2.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.25 2roq h THR 254 Cb 0.80 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.83 2roq h THR 254 CO -0.39 0.75 -0.45 0.40 0.37 0.00 0.00 175.52 176.20 2roq h ILE 255 N 0.29 0.11 -0.05 3.11 1.08 0.48 0.22 117.51 122.75 2roq h ILE 255 Ca -0.17 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.19 2roq h ILE 255 Cb 1.87 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 2roq h ILE 255 CO 0.23 0.00 -0.47 -0.33 -0.69 0.00 0.00 178.15 176.88 2roq h GLU 256 N -0.89 0.11 -0.05 2.37 5.08 -1.30 -2.04 114.58 117.87 2roq h GLU 256 Ca -0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2roq h GLU 256 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2roq h GLU 256 CO -0.08 0.57 0.01 0.78 -1.00 0.00 0.00 179.01 179.29 2roq h GLY 257 N 1.38 0.09 1.18 -3.84 0.00 -0.92 0.25 103.07 101.20 2roq h GLY 257 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 2roq h GLY 257 CO 0.07 0.05 -0.37 3.45 0.00 0.00 0.00 176.54 179.73 2roq h ASN 258 N -0.12 0.95 -0.12 0.19 7.08 -0.56 -2.11 115.58 120.89 2roq h ASN 258 Ca 0.02 -0.43 -0.12 0.00 -3.08 0.00 0.00 56.30 52.69 2roq h ASN 258 Cb 0.22 -0.27 -0.01 0.00 -2.08 0.00 0.00 38.32 36.18 2roq h ASN 258 CO -0.00 1.22 -0.32 1.88 -2.08 0.00 0.00 177.43 178.13 2roq h TYR 259 N 0.74 0.70 -0.32 4.14 0.05 -1.33 -2.08 116.97 118.87 2roq h TYR 259 Ca 0.06 -0.18 -0.14 0.00 0.05 0.00 0.00 58.73 58.52 2roq h TYR 259 Cb 0.96 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 2roq h TYR 259 CO 0.06 0.85 -0.38 0.00 -1.05 0.00 0.00 178.16 177.64 2roq h ALA 260 N 1.14 0.73 -0.41 3.88 0.00 -0.42 -2.12 119.26 122.06 2roq h ALA 260 Ca 0.06 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2roq h ALA 260 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2roq h ALA 260 CO 0.07 0.66 -0.29 -0.44 0.00 0.00 0.00 179.25 179.25 2roq h ASP 261 N 0.62 0.92 -0.07 0.00 3.32 -1.25 -1.31 116.42 118.65 2roq h ASP 261 Ca 0.05 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 2roq h ASP 261 Cb 0.93 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 2roq h ASP 261 CO 0.08 1.14 0.00 0.00 -1.72 0.00 0.00 179.24 178.75 2roq h ALA 262 N 0.91 0.10 0.00 3.45 0.00 -1.31 0.26 119.26 122.67 2roq h ALA 262 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2roq h ALA 262 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2roq h ALA 262 CO 0.07 -0.23 0.00 1.55 0.00 0.00 0.00 179.25 180.64 2roq n VAL 263 N -4.86 0.80 -0.03 0.00 3.14 -0.80 -1.62 118.33 114.97 2roq n VAL 263 Ca -0.07 0.19 -0.18 0.00 -2.96 0.00 0.00 64.34 61.33 2roq n VAL 263 Cb 0.19 -1.13 -0.14 0.00 -1.06 0.00 0.00 33.84 31.70 2roq n VAL 263 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2roq n ARG 264 N -2.27 0.72 0.01 1.45 5.12 -0.50 -4.09 116.66 117.10 2roq n ARG 264 Ca 0.02 0.23 0.14 0.00 -1.93 0.00 0.00 57.85 56.31 2roq n ARG 264 Cb 0.25 -1.68 0.55 0.00 -1.16 0.00 0.00 32.46 30.42 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2roq n LEU 265 N -3.33 0.12 -0.28 0.55 -0.00 0.89 -3.88 117.00 111.08 2roq n LEU 265 Ca -0.32 0.44 0.10 0.00 -0.00 0.00 0.00 56.01 56.23 2roq n LEU 265 Cb 1.04 -0.45 0.25 0.00 -0.00 0.00 0.00 43.42 44.26 2roq n LEU 265 CO 0.40 0.00 0.98 0.25 -0.00 0.00 0.00 177.39 179.03 2roq h LEU 266 N 0.00 0.15 -1.11 1.47 6.46 -1.45 0.32 115.31 121.14 2roq h LEU 266 Ca 0.00 0.16 0.14 0.00 -0.12 0.00 0.00 57.88 58.05 2roq h LEU 266 Cb 0.52 0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.54 2roq h LEU 266 CO 0.00 -0.03 0.61 0.00 -0.62 0.00 0.00 178.44 178.40 2roq h THR 267 N 0.32 0.87 0.00 1.05 1.03 -1.84 -0.84 112.91 113.50 2roq h THR 267 Ca 0.49 -0.29 -0.22 0.00 -0.01 0.00 0.00 66.41 66.38 2roq h THR 267 Cb 0.90 -0.07 -0.03 0.00 -1.07 0.00 0.00 68.15 67.88 2roq h THR 267 CO -0.54 0.16 -1.09 0.71 -0.01 0.00 0.00 175.52 174.75 2roq h THR 268 N 0.86 1.61 -2.18 0.00 1.35 -0.77 -3.45 112.91 110.32 2roq h THR 268 Ca 0.49 -3.34 -0.59 0.00 -0.55 0.00 0.00 66.41 62.42 2roq h THR 268 Cb 0.62 2.80 0.04 0.00 -1.73 0.00 0.00 68.15 69.87 2roq h THR 268 CO -0.26 0.92 0.97 0.00 -0.25 0.00 0.00 175.52 176.90 2roq n ALA 269 N -2.38 1.22 -2.35 6.62 0.00 0.35 -4.98 120.51 118.99 2roq n ALA 269 Ca -0.02 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.59 2roq n ALA 269 Cb 0.95 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 2roq n ALA 269 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2roq s HIS 270 N 2.57 1.67 -0.08 0.00 3.76 -1.26 -4.96 115.29 116.99 2roq s HIS 270 Ca 0.86 -0.78 -0.32 0.00 -0.15 0.00 0.00 55.06 54.67 2roq s HIS 270 Cb -0.66 -0.93 0.13 0.00 1.11 0.00 0.00 32.58 32.23 2roq s HIS 270 CO 0.44 0.14 1.22 -1.54 -0.85 0.00 0.00 174.74 174.15 2roq s SER 271 N -3.34 -0.11 -0.10 1.40 1.04 -1.26 -4.88 113.70 106.46 2roq s SER 271 Ca 0.26 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.63 2roq s SER 271 Cb 0.04 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 2roq s SER 271 CO 0.08 -0.31 -0.16 -0.69 0.98 0.00 0.00 173.24 173.14 2roq s VAL 272 N -2.49 2.78 0.92 5.02 1.01 -1.26 -4.84 120.40 121.54 2roq s VAL 272 Ca 0.12 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 2roq s VAL 272 Cb 0.02 -2.12 0.14 0.00 0.00 0.00 0.00 36.38 34.42 2roq s VAL 272 CO -0.04 0.55 1.09 -2.16 0.00 0.00 0.00 175.10 174.54 2roq s PRO 273 N 0.02 1.06 0.04 2.72 0.04 -1.26 -3.15 135.00 134.47 2roq s PRO 273 Ca -0.06 0.75 0.01 0.00 0.04 0.00 0.00 61.00 61.74 2roq s PRO 273 Cb -0.15 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2roq s PRO 273 CO 0.05 -2.36 -0.06 0.12 0.04 0.00 0.00 177.00 174.79 2roq s PHE 274 N -2.94 0.55 -0.96 0.56 5.36 -1.26 -4.78 117.98 114.50 2roq s PHE 274 Ca 0.64 -0.60 -0.03 0.00 -0.96 0.00 0.00 56.93 55.98 2roq s PHE 274 Cb -0.18 -0.34 0.26 0.00 -0.34 0.00 0.00 43.02 42.41 2roq s PHE 274 CO 0.57 -0.15 1.02 -0.40 -1.46 0.00 0.00 175.22 174.80 2roq n ASP 275 N 1.23 4.97 0.00 6.13 5.75 -1.26 -4.76 116.55 128.61 2roq n ASP 275 Ca -0.21 -3.22 0.00 0.00 -0.01 0.00 0.00 54.79 51.35 2roq n ASP 275 Cb 0.56 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2roq n GLY 276 N 1.95 4.29 2.87 6.12 0.00 -1.26 -4.81 105.19 114.36 2roq n GLY 276 Ca 0.24 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 4.16 1.34 0.09 1.61 1.02 -1.25 -2.79 119.74 123.92 2roq s LYS 277 Ca 0.00 -0.44 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 2roq s LYS 277 Cb 0.00 -1.90 0.06 0.00 -0.52 0.00 0.00 37.83 35.46 2roq s LYS 277 CO 0.00 -0.42 0.55 0.00 -0.92 0.00 0.00 175.35 174.56 2roq s ALA 278 N 1.68 -1.42 -0.05 5.17 0.00 -1.23 -3.48 121.76 122.44 2roq s ALA 278 Ca 0.01 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.48 2roq s ALA 278 Cb -0.15 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2roq s ALA 278 CO -0.08 -0.61 0.16 0.99 0.00 0.00 0.00 175.76 176.23 2roq s THR 279 N -2.97 5.38 -0.10 0.00 2.01 -1.20 -3.46 115.64 115.31 2roq s THR 279 Ca -0.02 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 2roq s THR 279 Cb -0.00 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 69.10 2roq s THR 279 CO -0.06 0.43 0.08 -0.22 -0.69 0.00 0.00 174.62 174.15 2roq s LEU 280 N -1.61 0.22 -0.09 4.42 2.96 -1.24 -1.40 118.68 121.94 2roq s LEU 280 Ca 0.23 -0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 53.77 2roq s LEU 280 Cb -0.12 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.35 2roq s LEU 280 CO 0.13 -0.29 0.43 -0.36 -1.32 0.00 0.00 176.35 174.94 2roq s PHE 281 N 2.16 3.56 0.38 5.38 0.08 -0.94 -3.41 117.98 125.20 2roq s PHE 281 Ca 0.04 0.86 -0.07 0.00 0.12 0.00 0.00 56.93 57.88 2roq s PHE 281 Cb -0.14 -2.45 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 2roq s PHE 281 CO -0.06 0.30 0.70 0.54 -0.10 0.00 0.00 175.22 176.60 2roq s VAL 282 N 0.15 4.90 -0.72 -0.44 0.11 -0.97 -0.42 120.40 123.01 2roq s VAL 282 Ca 0.24 0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.61 2roq s VAL 282 Cb -0.15 -3.77 0.18 0.00 -1.53 0.00 0.00 36.38 31.11 2roq s VAL 282 CO 0.10 -0.53 0.53 0.00 -3.33 0.00 0.00 175.10 171.87 2roq s ALA 283 N -2.36 3.83 -1.00 1.54 0.00 -1.26 -3.74 121.76 118.77 2roq s ALA 283 Ca 0.48 -3.69 0.17 0.00 0.00 0.00 0.00 51.96 48.92 2roq s ALA 283 Cb -0.10 -2.41 0.75 0.00 0.00 0.00 0.00 23.12 21.35 2roq s ALA 283 CO 0.34 -2.10 1.56 -1.91 0.00 0.00 0.00 175.76 173.65 2roq n GLU 284 N 2.43 0.00 -0.02 0.00 0.00 -0.88 -2.25 120.64 119.91 2roq n GLU 284 Ca 0.16 0.20 0.12 0.00 0.00 0.00 0.00 57.16 57.64 2roq n GLU 284 Cb 0.35 -1.50 0.62 0.00 0.00 0.00 0.00 31.44 30.91 2roq n GLU 284 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2roq n ARG 285 N -1.50 1.25 -0.83 5.31 -4.01 -1.26 -3.40 116.66 112.21 2roq n ARG 285 Ca 0.04 -0.37 0.05 0.00 -1.04 0.00 0.00 57.85 56.53 2roq n ARG 285 Cb 0.21 -1.40 0.10 0.00 -3.04 0.00 0.00 32.46 28.33 2roq n ARG 285 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 2roq n THR 286 N -0.48 1.01 -1.65 8.89 5.66 -0.96 -4.88 114.28 121.89 2roq n THR 286 Ca 0.18 -1.77 -0.61 0.00 -3.05 0.00 0.00 64.05 58.80 2roq n THR 286 Cb 0.17 0.32 -0.08 0.00 -1.55 0.00 0.00 70.33 69.20 2roq n THR 286 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2roq n LEU 287 N -0.41 1.15 -2.75 1.09 4.32 -1.22 -4.88 117.00 114.31 2roq n LEU 287 Ca 0.11 1.15 -0.23 0.00 -0.02 0.00 0.00 56.01 57.01 2roq n LEU 287 Cb 0.85 -0.99 -0.01 0.00 -1.62 0.00 0.00 43.42 41.65 2roq n LEU 287 CO -0.03 -1.10 0.09 0.00 -1.22 0.00 0.00 177.39 175.13 2roq n GLN 288 N 3.33 2.77 -3.00 3.23 10.64 -1.26 -4.97 117.38 128.12 2roq n GLN 288 Ca 0.25 -4.33 -0.11 0.00 -1.83 0.00 0.00 57.00 50.98 2roq n GLN 288 Cb 0.05 -2.05 0.01 0.00 -0.86 0.00 0.00 30.24 27.40 2roq n GLN 288 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2roq n GLU 289 N -0.26 -2.12 0.00 2.61 1.02 -1.26 -4.88 120.64 115.75 2roq n GLU 289 Ca 0.31 1.89 0.00 0.00 -0.02 0.00 0.00 57.16 59.33 2roq n GLU 289 Cb 0.59 -5.12 0.00 0.00 -0.02 0.00 0.00 31.44 26.89 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 -0.58 0.21 3.68 0.62 0.00 -1.26 -4.84 105.19 103.03 2roq n GLY 290 Ca 0.06 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2roq n GLY 290 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2roq s MET 291 N -0.96 4.16 0.22 1.61 0.00 -1.26 -4.99 119.30 118.08 2roq s MET 291 Ca 0.00 2.47 0.08 0.00 0.00 0.00 0.00 55.69 58.24 2roq s MET 291 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 34.83 31.03 2roq s MET 291 CO 0.00 -0.83 -0.14 -1.54 0.00 0.00 0.00 175.02 172.51 2roq s SER 292 N 3.04 2.73 1.22 1.11 1.04 -1.26 -5.14 113.70 116.44 2roq s SER 292 Ca 0.79 -1.04 -0.20 0.00 0.48 0.00 0.00 55.95 55.98 2roq s SER 292 Cb -0.42 -0.16 0.30 0.00 0.10 0.00 0.00 66.02 65.83 2roq s SER 292 CO 0.35 -0.17 1.11 -2.16 0.98 0.00 0.00 173.24 173.36 2roq s PRO 293 N -3.64 -1.38 -0.33 4.02 0.04 -1.26 -4.72 135.00 127.73 2roq s PRO 293 Ca 0.24 -0.12 -0.09 0.00 0.04 0.00 0.00 61.00 61.07 2roq s PRO 293 Cb -0.01 -1.58 0.01 0.00 0.04 0.00 0.00 34.50 32.96 2roq s PRO 293 CO 0.09 -3.80 0.33 -1.91 0.04 0.00 0.00 177.00 171.75 2roq n GLU 294 N -4.81 -2.37 -1.72 4.56 0.00 -1.26 -4.93 120.64 110.11 2roq n GLU 294 Ca 0.14 2.09 -0.39 0.00 0.00 0.00 0.00 57.16 59.00 2roq n GLU 294 Cb 0.60 -4.96 0.04 0.00 0.00 0.00 0.00 31.44 27.11 2roq n GLU 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2roq n ARG 295 N -0.01 1.66 -3.63 5.31 1.74 -1.26 -5.01 116.66 115.46 2roq n ARG 295 Ca 0.07 0.61 -0.06 0.00 -0.77 0.00 0.00 57.85 57.70 2roq n ARG 295 Cb 0.26 -2.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.14 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2roq s ALA 296 N -1.29 -2.08 0.89 7.54 0.00 -1.26 -5.18 121.76 120.38 2roq s ALA 296 Ca 0.70 1.76 -0.14 0.00 0.00 0.00 0.00 51.96 54.28 2roq s ALA 296 Cb -0.44 -1.45 0.14 0.00 0.00 0.00 0.00 23.12 21.38 2roq s ALA 296 CO 0.51 -0.20 1.25 -1.58 0.00 0.00 0.00 175.76 175.74 2roq s TRP 297 N -0.33 2.21 0.08 0.00 0.52 -1.26 -5.11 118.94 115.06 2roq s TRP 297 Ca 0.05 0.50 0.00 0.00 0.02 0.00 0.00 56.10 56.67 2roq s TRP 297 Cb -0.03 -3.82 -0.04 0.00 -1.15 0.00 0.00 33.47 28.42 2roq s TRP 297 CO -0.09 -2.24 -0.04 -1.54 0.02 0.00 0.00 176.95 173.07 2roq s SER 298 N -4.75 0.79 1.02 2.95 1.04 -1.26 -5.17 113.70 108.32 2roq s SER 298 Ca 0.68 -1.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 2roq s SER 298 Cb -0.07 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.23 2roq s SER 298 CO 0.51 -0.55 0.08 -0.81 0.98 0.00 0.00 173.24 173.45 2roq n PRO 299 N 0.01 -1.18 -2.33 4.02 -0.04 -1.26 -4.36 135.00 129.86 2roq n PRO 299 Ca -0.12 -0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.04 2roq n PRO 299 Cb 0.61 -0.12 -0.01 0.00 -0.04 0.00 0.00 33.50 33.95 2roq n PRO 299 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2roq n TRP 300 N -2.68 -0.82 -3.86 0.54 -0.00 -1.26 -4.99 117.44 104.37 2roq n TRP 300 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.39 2roq n TRP 300 Cb 0.04 -3.47 -0.13 0.00 -0.00 0.00 0.00 31.31 27.75 2roq n TRP 300 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 2roq s ILE 301 N -2.86 0.01 -0.14 5.87 -5.25 -1.26 -4.96 121.20 112.61 2roq s ILE 301 Ca 0.00 -0.07 -0.14 0.00 -0.99 0.00 0.00 60.65 59.45 2roq s ILE 301 Cb 0.00 -0.11 -0.05 0.00 2.95 0.00 0.00 42.46 45.26 2roq s ILE 301 CO 0.00 -0.04 -0.27 0.00 -1.79 0.00 0.00 174.94 172.84 2roq n ALA 302 N 2.92 0.67 -3.56 2.27 0.00 -1.26 -5.05 120.51 116.50 2roq n ALA 302 Ca -0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 53.44 52.62 2roq n ALA 302 Cb 0.59 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 2roq n ALA 302 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2roq s GLU 303 N -2.47 0.46 0.26 0.00 2.56 -1.12 -5.01 118.70 113.38 2roq s GLU 303 Ca -0.22 1.04 -0.21 0.00 0.00 0.00 0.00 54.97 55.58 2roq s GLU 303 Cb 0.03 0.49 0.03 0.00 2.00 0.00 0.00 34.13 36.68 2roq s GLU 303 CO 0.33 -0.14 0.69 -0.48 -0.56 0.00 0.00 175.26 175.10 2roq s LEU 304 N 2.32 -0.27 -0.47 2.70 0.05 -1.26 -3.48 118.68 118.27 2roq s LEU 304 Ca -0.06 -0.53 0.04 0.00 0.05 0.00 0.00 54.13 53.63 2roq s LEU 304 Cb -0.08 2.66 0.12 0.00 -2.05 0.00 0.00 46.19 46.84 2roq s LEU 304 CO -0.18 -1.28 0.20 -1.81 -0.55 0.00 0.00 176.35 172.73 2roq s ASP 305 N -2.90 4.38 -0.15 1.48 1.11 -1.22 -5.02 116.67 114.34 2roq s ASP 305 Ca 0.10 -2.75 -0.18 0.00 0.18 0.00 0.00 52.55 49.90 2roq s ASP 305 Cb -0.05 -1.58 -0.04 0.00 1.07 0.00 0.00 42.92 42.32 2roq s ASP 305 CO 0.04 -0.27 0.47 0.27 1.18 0.00 0.00 175.17 176.86 2roq s ILE 306 N 0.08 5.17 0.22 0.77 -5.25 -1.26 -3.60 121.20 117.33 2roq s ILE 306 Ca 0.15 0.91 0.10 0.00 -0.99 0.00 0.00 60.65 60.83 2roq s ILE 306 Cb -0.24 -3.81 -0.04 0.00 2.95 0.00 0.00 42.46 41.32 2roq s ILE 306 CO -0.02 0.28 -0.15 -0.47 -1.79 0.00 0.00 174.94 172.78 2roq s TYR 307 N 0.99 2.46 -0.30 1.37 5.04 -1.22 -5.02 117.35 120.67 2roq s TYR 307 Ca 0.24 -0.29 -0.09 0.00 -2.44 0.00 0.00 57.07 54.49 2roq s TYR 307 Cb -0.15 -1.16 -0.01 0.00 0.35 0.00 0.00 41.96 40.99 2roq s TYR 307 CO 0.09 0.58 0.13 0.50 -1.34 0.00 0.00 175.55 175.51 2roq s ARG 308 N -3.08 3.38 0.01 4.97 3.52 -1.26 -2.29 118.95 124.20 2roq s ARG 308 Ca 0.26 -0.68 -0.14 0.00 -0.13 0.00 0.00 55.73 55.04 2roq s ARG 308 Cb -0.07 -3.51 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 2roq s ARG 308 CO 0.14 -0.37 0.30 -1.14 -0.81 0.00 0.00 175.30 173.42 2roq s GLN 309 N 1.61 0.71 -0.86 5.12 0.74 -1.25 -5.02 119.66 120.72 2roq s GLN 309 Ca 0.05 -0.31 -0.21 0.00 0.05 0.00 0.00 55.36 54.94 2roq s GLN 309 Cb -0.17 0.31 0.10 0.00 1.10 0.00 0.00 33.01 34.35 2roq s GLN 309 CO 0.06 -0.21 1.13 -0.51 -0.55 0.00 0.00 175.29 175.21 2roq s ASP 310 N -1.60 6.46 -0.19 6.67 1.11 -1.26 -2.08 116.67 125.78 2roq s ASP 310 Ca -0.10 -1.61 -0.06 0.00 0.18 0.00 0.00 52.55 50.96 2roq s ASP 310 Cb -0.04 -2.43 0.09 0.00 1.07 0.00 0.00 42.92 41.61 2roq s ASP 310 CO 0.01 -1.26 0.39 0.00 1.18 0.00 0.00 175.17 175.50 2roq s ALA 312 N 2.58 1.53 0.40 0.00 0.00 -1.26 -4.37 121.76 120.65 2roq s ALA 312 Ca -0.01 0.43 0.16 0.00 0.00 0.00 0.00 51.96 52.54 2roq s ALA 312 Cb -0.12 -3.38 0.94 0.00 0.00 0.00 0.00 23.12 20.56 2roq s ALA 312 CO -0.12 -2.57 1.92 0.45 0.00 0.00 0.00 175.76 175.44 2roq h HIS 313 N -1.72 0.00 0.00 0.00 3.86 -1.93 -2.07 115.15 113.29 2roq h HIS 313 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2roq h HIS 313 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 2roq h HIS 313 CO 0.50 0.26 -1.74 1.33 0.86 0.00 0.00 177.93 179.15 2roq n VAL 314 N -4.09 0.16 -1.12 2.45 0.24 -1.26 -3.68 118.33 111.03 2roq n VAL 314 Ca -0.02 -0.51 -0.10 0.00 -2.04 0.00 0.00 64.34 61.67 2roq n VAL 314 Cb 0.32 -0.09 0.27 0.00 -1.47 0.00 0.00 33.84 32.87 2roq n VAL 314 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2roq n ASP 315 N -2.37 4.38 -0.05 -1.34 2.03 -1.04 -4.27 116.55 113.90 2roq n ASP 315 Ca -0.03 -3.35 -0.02 0.00 0.52 0.00 0.00 54.79 51.91 2roq n ASP 315 Cb 0.56 -0.75 -0.15 0.00 -0.72 0.00 0.00 41.12 40.06 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 -0.48 0.98 0.50 5.18 0.13 -0.81 -4.16 119.36 120.69 2roq n ILE 316 Ca 0.44 -0.72 0.13 0.00 -1.10 0.00 0.00 62.75 61.50 2roq n ILE 316 Cb 1.42 -0.41 0.42 0.00 -0.84 0.00 0.00 39.64 40.22 2roq n ILE 316 CO 0.00 0.00 0.00 -0.29 2.80 0.00 0.00 176.55 179.06 2roq h ILE 317 N 0.00 0.00 -3.58 9.51 6.09 -1.85 -3.41 117.51 124.28 2roq h ILE 317 Ca -0.31 -0.47 -0.49 0.00 -1.37 0.00 0.00 64.86 62.21 2roq h ILE 317 Cb 1.76 1.40 0.21 0.00 0.47 0.00 0.00 36.82 40.66 2roq h ILE 317 CO 0.03 0.00 -0.16 -1.54 -3.07 0.00 0.00 178.15 173.41 2roq n SER 318 N -2.41 -1.04 0.00 2.19 3.41 -1.26 -4.86 113.62 109.66 2roq n SER 318 Ca 0.04 0.18 0.07 0.00 -0.26 0.00 0.00 58.87 58.90 2roq n SER 318 Cb 0.38 -1.30 0.36 0.00 -0.26 0.00 0.00 64.21 63.39 2roq n SER 318 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2roq n PRO 319 N -3.68 0.18 -0.06 4.33 -0.04 -1.26 -3.23 135.00 131.23 2roq n PRO 319 Ca 0.07 0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2roq n PRO 319 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.01 1.81 0.55 0.00 -1.91 -2.96 103.07 102.99 2roq h GLY 320 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2roq h GLY 320 CO 0.00 -0.00 -0.23 -0.84 0.00 0.00 0.00 176.54 175.47 2roq h THR 321 N -0.96 1.23 -0.02 4.70 2.02 -1.77 -2.12 112.91 115.99 2roq h THR 321 Ca -0.00 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 2roq h THR 321 Cb 0.86 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2roq h THR 321 CO 0.00 0.32 -0.00 -0.26 0.37 0.00 0.00 175.52 175.95 2roq h PHE 322 N 0.21 0.04 0.00 3.16 0.04 -1.67 -2.06 116.94 116.65 2roq h PHE 322 Ca 0.04 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2roq h PHE 322 Cb 0.53 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2roq h PHE 322 CO 0.01 0.36 -0.17 1.05 -0.60 0.00 0.00 178.31 178.95 2roq h GLU 323 N -0.29 0.00 -0.24 1.51 4.11 -1.41 -2.67 114.58 115.60 2roq h GLU 323 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.28 2roq h GLU 323 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2roq h GLU 323 CO 0.00 0.17 -0.46 0.87 0.07 0.00 0.00 179.01 179.66 2roq h LYS 324 N 0.00 0.73 -2.32 1.06 1.57 -1.20 -3.30 116.57 113.11 2roq h LYS 324 Ca -0.00 -0.47 -0.80 0.00 -1.87 0.00 0.00 60.65 57.50 2roq h LYS 324 Cb 0.37 0.06 -0.26 0.00 0.08 0.00 0.00 32.23 32.48 2roq h LYS 324 CO 0.02 1.09 1.14 0.44 -0.57 0.00 0.00 179.45 181.58 2roq n ILE 325 N -4.15 6.01 -0.00 1.86 -5.35 -0.79 -4.73 119.36 112.21 2roq n ILE 325 Ca -0.05 -5.85 -0.00 0.00 -0.27 0.00 0.00 62.75 56.57 2roq n ILE 325 Cb 0.58 -1.62 -0.00 0.00 -1.74 0.00 0.00 39.64 36.85 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 0.16 -0.56 0.00 3.28 0.00 -1.23 -3.64 105.19 103.20 2roq n GLY 326 Ca 0.47 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.42 0.14 -0.03 1.61 -0.04 -1.26 -1.46 135.00 131.54 2roq n PRO 327 Ca -0.00 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.58 2roq n PRO 327 Cb 0.02 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 2roq n PRO 327 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2roq n ILE 328 N -1.35 1.31 -0.03 0.52 -6.64 -1.26 -3.49 119.36 108.42 2roq n ILE 328 Ca 0.06 -0.77 -0.07 0.00 -1.77 0.00 0.00 62.75 60.20 2roq n ILE 328 Cb 0.13 -0.70 -0.14 0.00 -1.44 0.00 0.00 39.64 37.50 2roq n ILE 328 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2roq n ILE 329 N -2.85 1.41 0.01 7.28 3.06 -0.99 -3.11 119.36 124.17 2roq n ILE 329 Ca -0.19 -0.78 -0.19 0.00 -2.50 0.00 0.00 62.75 59.08 2roq n ILE 329 Cb 1.00 -0.78 -0.09 0.00 0.54 0.00 0.00 39.64 40.30 2roq n ILE 329 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 2roq h ARG 330 N 0.00 0.71 -0.05 9.51 2.43 -1.44 -2.13 114.38 123.41 2roq h ARG 330 Ca -0.33 -0.69 -0.13 0.00 -0.81 0.00 0.00 59.98 58.02 2roq h ARG 330 Cb 1.97 0.18 0.01 0.00 -0.42 0.00 0.00 29.97 31.70 2roq h ARG 330 CO 0.06 1.28 -0.49 0.00 -1.51 0.00 0.00 179.97 179.31 2roq h ALA 331 N 0.45 0.12 -0.71 2.80 0.00 -1.74 -1.57 119.26 118.61 2roq h ALA 331 Ca -0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 2roq h ALA 331 Cb 1.54 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2roq h ALA 331 CO 0.18 0.31 0.34 1.15 0.00 0.00 0.00 179.25 181.23 2roq h THR 332 N -0.07 1.24 0.00 0.00 2.02 -1.64 -0.58 112.91 113.88 2roq h THR 332 Ca -0.05 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2roq h THR 332 Cb 1.17 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2roq h THR 332 CO 0.10 0.28 0.00 -0.07 0.37 0.00 0.00 175.52 176.20 2roq h LEU 333 N 1.00 0.00 0.00 2.58 3.38 -1.45 -2.10 115.31 118.73 2roq h LEU 333 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2roq h LEU 333 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2roq h LEU 333 CO -0.03 0.00 -0.58 -1.13 0.09 0.00 0.00 178.44 176.79 2roq h ASN 334 N 0.00 0.00 0.28 -0.43 -0.00 -0.60 -1.80 115.58 113.04 2roq h ASN 334 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.30 55.97 2roq h ASN 334 Cb 0.84 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.11 2roq h ASN 334 CO 0.00 0.11 -1.97 -2.11 -0.00 0.00 0.00 177.43 173.45 2roq n ARG 335 N -2.93 0.67 0.07 6.67 1.85 -0.29 -4.19 116.66 118.52 2roq n ARG 335 Ca 0.01 0.21 0.12 0.00 -1.00 0.00 0.00 57.85 57.18 2roq n ARG 335 Cb 0.59 -1.69 0.06 0.00 -1.05 0.00 0.00 32.46 30.36 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 -3.05 0.74 0.12 2.89 -0.00 -0.80 -4.31 117.00 112.59 2roq n LEU 336 Ca -0.25 0.23 -0.16 0.00 -0.00 0.00 0.00 56.01 55.82 2roq n LEU 336 Cb 1.08 -0.11 -0.10 0.00 -0.00 0.00 0.00 43.42 44.29 2roq n LEU 336 CO 0.43 -0.10 0.52 -0.33 -0.00 0.00 0.00 177.39 177.92 2roq h GLU 337 N 0.00 -0.72 0.00 1.47 5.08 -1.49 -3.48 114.58 115.44 2roq h GLU 337 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2roq h GLU 337 Cb 0.86 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2roq h GLU 337 CO 0.00 -0.48 0.00 0.72 -1.00 0.00 0.00 179.01 178.25 2roq n HIS 338 N -5.49 -0.04 -1.95 4.33 8.25 -1.26 -5.01 115.22 114.04 2roq n HIS 338 Ca -0.08 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2roq n HIS 338 Cb 0.41 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2roq n HIS 338 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2roq n HIS 339 N -1.08 -0.07 -2.82 4.41 -0.00 -1.26 -5.04 115.22 109.36 2roq n HIS 339 Ca 0.00 -0.09 -0.32 0.00 0.46 0.00 0.00 57.72 57.77 2roq n HIS 339 Cb 0.00 0.43 -0.05 0.00 -0.12 0.00 0.00 29.99 30.25 2roq n HIS 339 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2roq s HIS 340 N 0.00 3.40 -0.36 1.57 4.02 -1.26 -5.06 115.29 117.60 2roq s HIS 340 Ca 0.00 1.33 -0.00 0.00 1.02 0.00 0.00 55.06 57.41 2roq s HIS 340 Cb 0.02 -2.65 0.12 0.00 -1.02 0.00 0.00 32.58 29.05 2roq s HIS 340 CO -0.00 -0.11 0.17 -3.38 1.02 0.00 0.00 174.74 172.43 2roq s HIS 341 N -2.27 1.45 0.47 1.40 -3.43 -1.26 -4.98 115.29 106.68 2roq s HIS 341 Ca 0.56 -1.85 -0.06 0.00 -0.80 0.00 0.00 55.06 52.92 2roq s HIS 341 Cb -0.10 -1.53 -0.04 0.00 -1.43 0.00 0.00 32.58 29.48 2roq s HIS 341 CO 0.23 -0.83 0.79 -1.01 -2.00 0.00 0.00 174.74 171.91 2roq s HIS 342 N 1.16 3.55 -1.09 0.38 3.76 -1.26 -5.32 115.29 116.47 2roq s HIS 342 Ca 0.14 0.85 0.09 0.00 -0.15 0.00 0.00 55.06 55.99 2roq s HIS 342 Cb -0.21 -2.33 0.07 0.00 1.11 0.00 0.00 32.58 31.23 2roq s HIS 342 CO -0.13 -0.26 0.78 1.58 -0.85 0.00 0.00 174.74 175.86