#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq s LEU 2 N 0.00 4.16 0.55 3.17 1.43 -1.26 -5.10 118.68 121.64 2roq s LEU 2 Ca 0.00 0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 2roq s LEU 2 Cb 0.00 -2.75 -0.06 0.00 0.03 0.00 0.00 46.19 43.42 2roq s LEU 2 CO 0.00 0.06 1.13 -2.16 0.23 0.00 0.00 176.35 175.60 2roq s PRO 3 N -3.20 3.34 0.06 1.29 0.04 -1.26 -5.06 135.00 130.21 2roq s PRO 3 Ca 0.33 1.60 0.09 0.00 0.04 0.00 0.00 61.00 63.07 2roq s PRO 3 Cb -0.11 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2roq s PRO 3 CO 0.27 -0.86 -0.26 -1.21 0.04 0.00 0.00 177.00 174.98 2roq s GLU 4 N -3.32 1.69 -0.36 4.56 0.41 -1.26 -5.10 118.70 115.32 2roq s GLU 4 Ca 0.73 -1.14 -0.28 0.00 -0.41 0.00 0.00 54.97 53.87 2roq s GLU 4 Cb -0.24 -1.92 0.02 0.00 -1.78 0.00 0.00 34.13 30.22 2roq s GLU 4 CO 0.27 0.49 1.03 -1.17 -0.49 0.00 0.00 175.26 175.39 2roq s LEU 5 N -1.38 3.91 -0.19 1.80 1.98 -1.26 -4.88 118.68 118.66 2roq s LEU 5 Ca 0.12 0.79 -0.09 0.00 -2.89 0.00 0.00 54.13 52.05 2roq s LEU 5 Cb -0.10 -3.44 -0.08 0.00 0.66 0.00 0.00 46.19 43.24 2roq s LEU 5 CO 0.03 -0.92 -0.24 0.29 -1.89 0.00 0.00 176.35 173.61 2roq n LYS 6 N 6.97 0.39 0.00 1.98 4.76 -1.26 -5.09 118.16 125.92 2roq n LYS 6 Ca 0.10 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2roq n LYS 6 Cb 0.48 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.51 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2roq n ALA 7 N -3.84 0.00 -3.14 7.82 0.00 -1.26 -5.17 120.51 114.92 2roq n ALA 7 Ca -0.36 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 2roq n ALA 7 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.20 2roq n ALA 7 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2roq n GLN 8 N -1.03 0.05 -4.36 0.00 7.27 -1.26 -5.09 117.38 112.97 2roq n GLN 8 Ca 0.00 -0.38 -0.19 0.00 0.07 0.00 0.00 57.00 56.50 2roq n GLN 8 Cb 0.00 0.32 -0.10 0.00 2.41 0.00 0.00 30.24 32.87 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2roq s ALA 9 N -2.08 2.07 -0.88 1.69 0.00 -1.26 -5.03 121.76 116.27 2roq s ALA 9 Ca 0.05 -1.69 0.16 0.00 0.00 0.00 0.00 51.96 50.48 2roq s ALA 9 Cb 0.00 -0.08 0.69 0.00 0.00 0.00 0.00 23.12 23.73 2roq s ALA 9 CO 0.03 0.07 1.51 -0.35 0.00 0.00 0.00 175.76 177.03 2roq n PRO 10 N -0.40 0.04 0.00 0.00 -0.04 -1.26 -4.95 135.00 128.39 2roq n PRO 10 Ca -0.08 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2roq n PRO 10 Cb 0.60 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.85 3.57 0.55 0.00 -1.26 -4.92 105.19 103.95 2roq n GLY 11 Ca 0.03 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2roq n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2roq s ARG 12 N 0.00 3.05 -0.31 1.61 3.03 -1.26 0.01 118.95 125.07 2roq s ARG 12 Ca 0.00 0.53 -0.01 0.00 2.03 0.00 0.00 55.73 58.28 2roq s ARG 12 Cb 0.00 -4.23 0.29 0.00 -1.03 0.00 0.00 34.95 29.98 2roq s ARG 12 CO 0.00 -2.24 1.32 0.00 -1.13 0.00 0.00 175.30 173.25 2roq n ALA 13 N 10.77 -3.65 -1.04 7.88 0.00 -1.24 -4.96 120.51 128.27 2roq n ALA 13 Ca 0.15 -0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2roq n ALA 13 Cb 0.50 -3.38 0.17 0.00 0.00 0.00 0.00 19.45 16.73 2roq n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roq n PRO 14 N 1.19 -2.44 -3.40 0.00 -0.04 -1.26 -4.40 135.00 124.65 2roq n PRO 14 Ca -0.02 -1.15 -0.20 0.00 -0.04 0.00 0.00 63.50 62.09 2roq n PRO 14 Cb 0.73 -1.08 0.07 0.00 -0.04 0.00 0.00 33.50 33.18 2roq n PRO 14 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2roq n LYS 15 N -3.72 -6.62 0.00 0.54 4.81 -1.26 -4.90 118.16 107.01 2roq n LYS 15 Ca 0.10 0.69 0.12 0.00 -0.87 0.00 0.00 58.31 58.35 2roq n LYS 15 Cb 0.39 -5.33 0.14 0.00 0.02 0.00 0.00 35.03 30.25 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 -4.55 3.63 0.00 3.14 0.00 -1.26 -4.95 120.51 116.53 2roq n ALA 16 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2roq n ALA 16 Cb 0.56 -0.95 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 1.42 2.52 0.13 0.00 0.00 -1.26 -4.72 105.19 103.29 2roq n GLY 17 Ca 0.09 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 2roq n GLY 17 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2roq h SER 18 N 0.00 0.49 1.54 1.61 0.87 -2.00 -3.34 113.55 112.72 2roq h SER 18 Ca 0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 2roq h SER 18 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2roq h SER 18 CO 0.00 1.72 0.00 1.05 -0.53 0.00 0.00 176.83 179.07 2roq h GLU 19 N 0.08 0.00 -0.90 2.24 4.11 -1.96 -3.28 114.58 114.87 2roq h GLU 19 Ca -0.35 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.26 2roq h GLU 19 Cb 2.06 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 31.21 2roq h GLU 19 CO 0.14 0.00 0.47 1.15 0.07 0.00 0.00 179.01 180.84 2roq h THR 20 N 0.00 0.64 -0.04 -1.06 2.02 -1.91 0.31 112.91 112.88 2roq h THR 20 Ca 0.00 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 2roq h THR 20 Cb 0.77 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2roq h THR 20 CO 0.00 0.11 -0.51 0.16 0.37 0.00 0.00 175.52 175.65 2roq h ILE 21 N 0.59 1.36 0.28 3.11 3.07 -1.79 -2.16 117.51 121.97 2roq h ILE 21 Ca 0.52 -1.76 -0.01 0.00 1.55 0.00 0.00 64.86 65.16 2roq h ILE 21 Cb 0.84 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 2roq h ILE 21 CO -0.42 0.51 -0.13 0.40 -1.05 0.00 0.00 178.15 177.46 2roq h ILE 22 N 0.09 0.00 -0.95 0.16 1.08 -0.77 -2.18 117.51 114.94 2roq h ILE 22 Ca 0.00 -0.73 0.16 0.00 -0.39 0.00 0.00 64.86 63.91 2roq h ILE 22 Cb 0.93 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.60 2roq h ILE 22 CO 0.07 0.00 0.60 0.00 -0.69 0.00 0.00 178.15 178.14 2roq h ALA 23 N -1.10 1.79 -0.39 1.87 0.00 -0.65 -0.72 119.26 120.06 2roq h ALA 23 Ca -0.04 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2roq h ALA 23 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2roq h ALA 23 CO 0.06 -0.08 -0.18 0.00 0.00 0.00 0.00 179.25 179.06 2roq h ALA 24 N 1.60 0.54 -0.54 0.00 0.00 -1.48 -2.13 119.26 117.26 2roq h ALA 24 Ca 0.50 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2roq h ALA 24 Cb 0.81 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2roq h ALA 24 CO -0.27 0.48 0.36 0.00 0.00 0.00 0.00 179.25 179.82 2roq h ALA 25 N 0.81 1.75 -0.01 0.00 0.00 -0.47 0.35 119.26 121.69 2roq h ALA 25 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 25 Cb 0.73 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2roq h ALA 25 CO 0.05 0.18 -0.08 0.74 0.00 0.00 0.00 179.25 180.15 2roq h PHE 26 N 0.60 0.10 0.00 0.00 -1.00 -1.24 -2.19 116.94 113.21 2roq h PHE 26 Ca 0.22 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.95 2roq h PHE 26 Cb 0.12 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.67 2roq h PHE 26 CO -0.00 0.77 0.00 -1.13 -1.61 0.00 0.00 178.31 176.34 2roq n SER 27 N -4.67 0.00 -0.06 2.17 3.41 -0.82 -0.65 113.62 113.00 2roq n SER 27 Ca -0.09 -0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.45 2roq n SER 27 Cb 0.39 -0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.29 0.22 -0.08 4.04 2.88 0.12 0.78 113.62 120.29 2roq n SER 28 Ca 0.10 0.10 -0.10 0.00 -1.33 0.00 0.00 58.87 57.65 2roq n SER 28 Cb 0.18 0.92 -0.03 0.00 -0.75 0.00 0.00 64.21 64.52 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 -2.73 1.86 -0.13 2.46 4.77 -0.83 -4.49 117.00 117.91 2roq n LEU 29 Ca -0.24 0.31 0.27 0.00 -0.03 0.00 0.00 56.01 56.33 2roq n LEU 29 Cb 1.02 -0.71 0.72 0.00 -2.33 0.00 0.00 43.42 42.12 2roq n LEU 29 CO 0.44 -0.25 1.25 -0.07 -1.33 0.00 0.00 177.39 177.43 2roq h LEU 30 N -0.91 0.00 0.00 2.23 3.38 -1.11 -3.44 115.31 115.47 2roq h LEU 30 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2roq h LEU 30 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2roq h LEU 30 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 2roq n GLY 31 N -1.67 1.61 7.00 0.83 0.00 -1.25 -5.04 105.19 106.67 2roq n GLY 31 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.41 -4.68 -4.05 0.00 2.03 -1.26 -4.76 116.55 103.42 2roq n ASP 33 Ca 0.00 0.14 -0.31 0.00 0.52 0.00 0.00 54.79 55.14 2roq n ASP 33 Cb 0.00 -2.69 -0.16 0.00 -0.72 0.00 0.00 41.12 37.55 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2roq s VAL 34 N -1.89 1.79 -0.34 5.18 1.01 -1.26 -4.98 120.40 119.91 2roq s VAL 34 Ca 0.00 -0.89 0.14 0.00 0.00 0.00 0.00 61.98 61.23 2roq s VAL 34 Cb 0.00 -1.72 0.43 0.00 0.00 0.00 0.00 36.38 35.09 2roq s VAL 34 CO 0.00 0.39 1.28 0.00 0.00 0.00 0.00 175.10 176.77 2roq n GLN 35 N 4.68 1.32 -5.19 2.72 3.00 -1.26 -4.20 117.38 118.44 2roq n GLN 35 Ca -0.18 -2.24 -0.31 0.00 -0.01 0.00 0.00 57.00 54.27 2roq n GLN 35 Cb 0.49 -0.43 -0.16 0.00 0.00 0.00 0.00 30.24 30.14 2roq n GLN 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2roq s ASP 36 N -2.01 3.04 0.00 1.08 1.11 -1.26 -3.68 116.67 114.95 2roq s ASP 36 Ca 0.20 -0.49 0.25 0.00 0.18 0.00 0.00 52.55 52.69 2roq s ASP 36 Cb 0.41 -0.32 0.55 0.00 1.07 0.00 0.00 42.92 44.63 2roq s ASP 36 CO -0.06 0.30 1.44 0.00 1.18 0.00 0.00 175.17 178.02 2roq n ALA 37 N 2.28 3.23 -1.14 5.23 0.00 0.10 -3.94 120.51 126.28 2roq n ALA 37 Ca -0.16 -0.47 0.06 0.00 0.00 0.00 0.00 53.44 52.88 2roq n ALA 37 Cb 0.51 -1.04 0.09 0.00 0.00 0.00 0.00 19.45 19.01 2roq n ALA 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2roq n ASP 38 N -0.52 1.74 -3.81 0.00 2.03 -1.26 -0.15 116.55 114.58 2roq n ASP 38 Ca 0.11 -2.67 -0.28 0.00 0.52 0.00 0.00 54.79 52.48 2roq n ASP 38 Cb 0.38 -0.32 0.24 0.00 -0.72 0.00 0.00 41.12 40.70 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ALA 39 N -0.98 -3.68 -3.97 -1.67 0.00 -1.25 -4.97 120.51 103.98 2roq n ALA 39 Ca 0.10 -1.50 -0.31 0.00 0.00 0.00 0.00 53.44 51.74 2roq n ALA 39 Cb 0.60 -1.57 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 2roq n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2roq s ASP 40 N -2.50 4.03 0.22 0.00 1.01 -1.26 -4.61 116.67 113.56 2roq s ASP 40 Ca 0.61 -1.25 -0.08 0.00 0.71 0.00 0.00 52.55 52.53 2roq s ASP 40 Cb -0.15 -1.28 0.33 0.00 1.01 0.00 0.00 42.92 42.83 2roq s ASP 40 CO 0.57 -0.23 1.71 0.15 0.21 0.00 0.00 175.17 177.58 2roq h PHE 41 N 7.90 0.29 -0.03 4.23 3.04 -1.96 0.49 116.94 130.90 2roq h PHE 41 Ca -0.18 0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.82 2roq h PHE 41 Cb 1.06 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.54 2roq h PHE 41 CO 0.54 0.00 0.08 0.74 -2.02 0.00 0.00 178.31 177.65 2roq h PHE 42 N 0.32 0.00 0.02 0.41 0.04 -1.89 0.28 116.94 116.11 2roq h PHE 42 Ca 0.34 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.78 2roq h PHE 42 Cb 0.50 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 2roq h PHE 42 CO -0.22 0.00 -1.81 0.00 -0.60 0.00 0.00 178.31 175.68 2roq n ALA 43 N -2.15 0.96 0.18 2.45 0.00 0.13 -4.19 120.51 117.89 2roq n ALA 43 Ca -0.02 -0.71 0.18 0.00 0.00 0.00 0.00 53.44 52.89 2roq n ALA 43 Cb 0.16 -0.36 0.80 0.00 0.00 0.00 0.00 19.45 20.06 2roq n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2roq h LEU 44 N -0.78 0.00 0.00 0.00 3.38 -0.01 -3.44 115.31 114.46 2roq h LEU 44 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2roq h LEU 44 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2roq h LEU 44 CO -0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.92 2roq n GLY 45 N -1.39 1.99 3.59 0.83 0.00 -0.75 -5.03 105.19 104.43 2roq n GLY 45 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.23 -0.84 0.00 -0.02 0.00 0.91 -4.77 105.19 100.24 2roq n GLY 46 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2roq n GLY 46 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2roq n HIS 47 N -3.91 -0.03 1.42 1.61 -0.00 -1.26 -4.29 115.22 108.76 2roq n HIS 47 Ca 0.11 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.41 2roq n HIS 47 Cb 0.52 0.00 0.70 0.00 -0.12 0.00 0.00 29.99 31.10 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq n ALA 48 N -3.00 2.37 -0.02 1.57 0.00 -1.26 -1.14 120.51 119.03 2roq n ALA 48 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 2roq n ALA 48 Cb 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 2roq n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 49 N -1.12 2.09 -0.09 0.00 4.77 -1.26 -4.28 117.00 117.12 2roq n LEU 49 Ca 0.16 -0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.95 2roq n LEU 49 Cb 0.13 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 2roq n LEU 49 CO 0.16 0.42 -0.07 -0.07 -1.33 0.00 0.00 177.39 176.50 2roq h LEU 50 N 0.00 0.00 -0.80 2.23 -0.00 -1.86 -2.94 115.31 111.95 2roq h LEU 50 Ca -0.09 -0.72 0.00 0.00 -0.00 0.00 0.00 57.88 57.07 2roq h LEU 50 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2roq h LEU 50 CO -0.01 1.22 0.00 0.00 -0.00 0.00 0.00 178.44 179.65 2roq h ALA 51 N -0.28 1.00 0.16 1.53 0.00 -1.44 -1.54 119.26 118.69 2roq h ALA 51 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 2roq h ALA 51 Cb 1.11 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.92 2roq h ALA 51 CO -0.10 0.00 -1.15 1.98 0.00 0.00 0.00 179.25 179.97 2roq h MET 52 N 0.00 0.34 0.00 0.00 1.85 -1.68 -2.14 114.93 113.30 2roq h MET 52 Ca 0.00 -0.58 -0.13 0.00 -0.61 0.00 0.00 59.70 58.38 2roq h MET 52 Cb 0.66 0.22 -0.02 0.00 0.43 0.00 0.00 31.60 32.89 2roq h MET 52 CO 0.00 1.28 -0.62 -0.22 -0.40 0.00 0.00 176.91 176.95 2roq h LYS 53 N -0.22 0.00 0.02 0.39 3.11 -1.50 -2.19 116.57 116.18 2roq h LYS 53 Ca -0.22 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.62 2roq h LYS 53 Cb 1.81 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.04 2roq h LYS 53 CO 0.16 0.62 -0.01 1.25 -2.81 0.00 0.00 179.45 178.66 2roq h LEU 54 N 0.00 -0.02 -0.79 5.20 6.46 -1.39 -2.20 115.31 122.57 2roq h LEU 54 Ca -0.01 -0.34 0.02 0.00 -0.12 0.00 0.00 57.88 57.44 2roq h LEU 54 Cb 1.31 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.20 2roq h LEU 54 CO 0.08 0.64 0.51 0.00 -0.62 0.00 0.00 178.44 179.05 2roq h ALA 55 N -0.65 1.02 -0.18 1.25 0.00 -1.51 -2.01 119.26 117.19 2roq h ALA 55 Ca -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2roq h ALA 55 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2roq h ALA 55 CO 0.00 0.35 -0.40 0.00 0.00 0.00 0.00 179.25 179.21 2roq h ALA 56 N 1.31 0.99 -0.58 0.00 0.00 -1.54 -2.14 119.26 117.31 2roq h ALA 56 Ca 0.30 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2roq h ALA 56 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2roq h ALA 56 CO -0.09 0.61 0.16 0.37 0.00 0.00 0.00 179.25 180.30 2roq h GLN 57 N 0.33 0.89 -0.04 0.00 4.15 -0.71 -2.21 115.11 117.51 2roq h GLN 57 Ca 0.03 -0.18 -0.13 0.00 0.77 0.00 0.00 58.65 59.15 2roq h GLN 57 Cb 0.85 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.41 2roq h GLN 57 CO 0.07 0.78 -0.47 -0.07 -1.93 0.00 0.00 178.83 177.21 2roq h LEU 58 N 0.86 0.49 -1.61 -2.39 3.38 -1.25 -0.41 115.31 114.39 2roq h LEU 58 Ca 0.19 -0.70 0.11 0.00 0.09 0.00 0.00 57.88 57.56 2roq h LEU 58 Cb 0.28 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2roq h LEU 58 CO -0.01 1.12 0.43 0.77 0.09 0.00 0.00 178.44 180.85 2roq h SER 59 N -0.10 0.39 0.59 -0.43 4.64 -1.26 0.63 113.55 118.00 2roq h SER 59 Ca -0.05 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2roq h SER 59 Cb 1.16 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2roq h SER 59 CO 0.10 0.23 -1.00 -2.11 -0.87 0.00 0.00 176.83 173.18 2roq n ARG 60 N -4.47 0.36 0.02 4.77 -4.01 -0.84 -0.92 116.66 111.56 2roq n ARG 60 Ca 0.11 0.02 0.11 0.00 -1.04 0.00 0.00 57.85 57.05 2roq n ARG 60 Cb 0.40 -1.65 0.05 0.00 -3.04 0.00 0.00 32.46 28.22 2roq n ARG 60 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 2roq n GLN 61 N -2.12 0.23 0.00 2.89 7.27 0.04 -4.09 117.38 121.60 2roq n GLN 61 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 2roq n GLN 61 Cb 0.46 -1.58 0.00 0.00 2.41 0.00 0.00 30.24 31.53 2roq n GLN 61 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2roq n VAL 62 N -1.88 0.07 -2.04 1.69 0.24 0.20 -4.99 118.33 111.61 2roq n VAL 62 Ca 0.03 -0.53 -0.17 0.00 -2.04 0.00 0.00 64.34 61.63 2roq n VAL 62 Cb 0.42 0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.03 -0.41 -2.57 2.33 0.00 -0.99 -4.99 120.51 113.84 2roq n ALA 63 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 53.44 53.34 2roq n ALA 63 Cb 0.02 -1.81 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 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 -4.37 2.16 -0.68 0.00 3.52 -0.10 -5.01 118.95 114.47 2roq s ARG 64 Ca 0.00 -2.09 -0.05 0.00 -0.13 0.00 0.00 55.73 53.46 2roq s ARG 64 Cb 0.00 -1.79 0.18 0.00 -1.56 0.00 0.00 34.95 31.78 2roq s ARG 64 CO 0.00 -0.24 0.52 -0.65 -0.81 0.00 0.00 175.30 174.12 2roq s GLN 65 N -3.90 2.80 -0.03 5.12 -1.52 -1.26 -4.32 119.66 116.56 2roq s GLN 65 Ca 0.29 -2.54 0.01 0.00 -1.95 0.00 0.00 55.36 51.17 2roq s GLN 65 Cb 0.04 -3.88 0.01 0.00 -0.22 0.00 0.00 33.01 28.96 2roq s GLN 65 CO 0.16 -1.20 -0.05 0.14 -0.25 0.00 0.00 175.29 174.09 2roq s VAL 66 N -0.06 0.49 0.00 1.09 -7.23 -1.26 -4.97 120.40 108.47 2roq s VAL 66 Ca 0.17 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2roq s VAL 66 Cb -0.18 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.28 2roq s VAL 66 CO -0.05 0.18 0.00 0.35 -0.31 0.00 0.00 175.10 175.28 2roq n THR 67 N 3.55 0.00 0.00 5.32 -2.24 -1.26 -4.18 114.28 115.47 2roq n THR 67 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2roq n THR 67 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2roq n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2roq n PRO 68 N 0.00 0.00 -0.41 -0.78 -0.04 -1.26 -0.08 135.00 132.43 2roq n PRO 68 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2roq n PRO 68 Cb 0.00 -0.23 0.04 0.00 -0.04 0.00 0.00 33.50 33.27 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 1.52 2.82 0.00 0.55 0.00 -1.26 -1.59 105.19 107.22 2roq n GLY 69 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.29 3.25 0.00 1.61 6.02 -1.26 -4.70 117.38 122.58 2roq n GLN 70 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 2roq n GLN 70 Cb 0.73 -0.47 0.00 0.00 1.02 0.00 0.00 30.24 31.52 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2roq n VAL 71 N -0.50 0.00 -0.38 5.09 0.31 -1.20 -4.50 118.33 117.15 2roq n VAL 71 Ca 0.00 0.00 0.30 0.00 -0.01 0.00 0.00 64.34 64.63 2roq n VAL 71 Cb 0.00 -0.05 0.58 0.00 -0.91 0.00 0.00 33.84 33.46 2roq n VAL 71 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2roq h MET 72 N 0.00 0.22 0.00 5.55 -1.53 0.53 -3.17 114.93 116.53 2roq h MET 72 Ca 0.00 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 2roq h MET 72 Cb 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.00 2roq h MET 72 CO 0.00 0.15 -0.06 1.33 0.14 0.00 0.00 176.91 178.46 2roq n VAL 73 N -4.68 0.00 0.17 -5.77 0.24 -1.23 -4.96 118.33 102.10 2roq n VAL 73 Ca 0.31 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.47 2roq n VAL 73 Cb 1.16 0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.74 0.00 2.33 0.00 -1.78 -3.11 119.26 115.97 2roq h ALA 74 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2roq h ALA 74 Cb 1.05 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2roq h ALA 74 CO 0.00 -0.97 0.00 0.45 0.00 0.00 0.00 179.25 178.73 2roq n SER 75 N -5.46 0.00 0.00 0.00 2.88 -1.26 -4.52 113.62 105.25 2roq n SER 75 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2roq n SER 75 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2roq n SER 75 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2roq n THR 76 N 0.00 0.00 -0.22 2.46 5.66 -1.26 -4.17 114.28 116.74 2roq n THR 76 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2roq n THR 76 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 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 0.00 0.02 -0.88 1.08 2.07 -1.82 0.73 116.25 117.44 2roq h VAL 77 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 2roq h VAL 77 Cb 0.00 0.02 -0.16 0.00 -1.52 0.00 0.00 31.29 29.62 2roq h VAL 77 CO 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 2roq h ALA 78 N 0.26 0.77 0.04 1.67 0.00 -0.87 0.13 119.26 121.25 2roq h ALA 78 Ca 0.12 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 2roq h ALA 78 Cb 0.55 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2roq h ALA 78 CO -0.71 -0.44 -0.02 -0.22 0.00 0.00 0.00 179.25 177.86 2roq h LYS 79 N 0.02 -0.05 -0.90 0.00 3.11 -1.21 -2.23 116.57 115.31 2roq h LYS 79 Ca 0.46 0.00 0.22 0.00 -2.81 0.00 0.00 60.65 58.53 2roq h LYS 79 Cb 0.80 0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.92 2roq h LYS 79 CO -0.86 0.07 0.40 -0.07 -2.81 0.00 0.00 179.45 176.18 2roq h LEU 80 N -0.16 0.35 -1.01 5.20 -0.00 0.89 0.51 115.31 121.09 2roq h LEU 80 Ca -0.01 0.15 -0.10 0.00 -0.00 0.00 0.00 57.88 57.92 2roq h LEU 80 Cb 0.15 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2roq h LEU 80 CO 0.01 0.01 -0.45 0.00 -0.00 0.00 0.00 178.44 178.01 2roq h ALA 81 N 1.70 1.17 0.00 1.53 0.00 -0.99 -0.50 119.26 122.18 2roq h ALA 81 Ca 0.56 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2roq h ALA 81 Cb 1.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2roq h ALA 81 CO -0.52 0.59 -0.04 1.15 0.00 0.00 0.00 179.25 180.43 2roq h THR 82 N 0.09 0.10 0.00 0.00 2.02 0.61 -2.24 112.91 113.48 2roq h THR 82 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2roq h THR 82 Cb 0.83 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2roq h THR 82 CO 0.06 0.04 -0.68 -0.38 0.37 0.00 0.00 175.52 174.93 2roq n ILE 83 N -3.15 1.15 -0.33 3.11 5.41 -0.71 -2.16 119.36 122.69 2roq n ILE 83 Ca 0.00 0.23 0.14 0.00 1.00 0.00 0.00 62.75 64.13 2roq n ILE 83 Cb 0.32 -2.17 0.33 0.00 -0.71 0.00 0.00 39.64 37.41 2roq n ILE 83 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2roq h ILE 84 N -0.78 0.56 0.00 1.39 1.08 -1.22 0.20 117.51 118.74 2roq h ILE 84 Ca 0.00 -0.19 -0.05 0.00 -0.39 0.00 0.00 64.86 64.24 2roq h ILE 84 Cb 0.68 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 2roq h ILE 84 CO 0.00 0.10 -0.95 -0.78 -0.69 0.00 0.00 178.15 175.83 2roq h ASP 85 N 0.54 0.00 -4.92 1.72 3.58 -1.61 -3.49 116.42 112.25 2roq h ASP 85 Ca 0.59 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.75 2roq h ASP 85 Cb 1.07 0.00 0.13 0.00 1.72 0.00 0.00 39.33 42.24 2roq h ASP 85 CO -0.47 0.17 -0.59 0.00 -2.88 0.00 0.00 179.24 175.47 2roq n ALA 86 N -2.22 -1.41 -1.68 -0.78 0.00 0.71 -5.01 120.51 110.11 2roq n ALA 86 Ca -0.02 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 2roq n ALA 86 Cb 0.63 -2.96 0.22 0.00 0.00 0.00 0.00 19.45 17.34 2roq n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2roq n GLU 87 N -3.74 -1.87 -3.15 0.00 2.13 -0.92 -4.99 120.64 108.10 2roq n GLU 87 Ca -0.14 -1.99 -0.44 0.00 0.66 0.00 0.00 57.16 55.25 2roq n GLU 87 Cb 0.60 -1.47 -0.06 0.00 0.27 0.00 0.00 31.44 30.79 2roq n GLU 87 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2roq s GLU 88 N -5.82 3.10 -0.04 5.31 2.02 -1.26 -4.93 118.70 117.09 2roq s GLU 88 Ca 0.75 -0.98 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 2roq s GLU 88 Cb -0.03 -4.13 0.11 0.00 0.10 0.00 0.00 34.13 30.17 2roq s GLU 88 CO 0.54 -1.29 0.93 0.34 0.02 0.00 0.00 175.26 175.80 2roq s ASP 89 N 2.88 -0.34 -0.06 -0.19 2.15 -1.26 -5.10 116.67 114.75 2roq s ASP 89 Ca 0.14 0.03 -0.05 0.00 0.43 0.00 0.00 52.55 53.10 2roq s ASP 89 Cb -0.20 0.35 -0.02 0.00 -0.30 0.00 0.00 42.92 42.75 2roq s ASP 89 CO 0.11 -0.56 -0.10 -1.20 -0.17 0.00 0.00 175.17 173.25 2roq n SER 90 N -0.16 0.63 -3.85 -0.34 7.64 -1.26 -5.00 113.62 111.28 2roq n SER 90 Ca -0.08 0.18 -0.28 0.00 1.01 0.00 0.00 58.87 59.70 2roq n SER 90 Cb 0.61 -0.59 0.03 0.00 -1.01 0.00 0.00 64.21 63.25 2roq n SER 90 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2roq n THR 91 N -3.12 -2.63 -1.03 0.44 -1.04 -1.26 -4.86 114.28 100.78 2roq n THR 91 Ca -0.04 -0.12 -0.17 0.00 -2.04 0.00 0.00 64.05 61.68 2roq n THR 91 Cb 0.15 -3.11 0.21 0.00 -1.82 0.00 0.00 70.33 65.76 2roq n THR 91 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2roq n ARG 92 N -4.61 2.68 -0.03 -2.82 0.63 -1.26 -4.28 116.66 106.97 2roq n ARG 92 Ca -0.04 -2.85 -0.17 0.00 -0.92 0.00 0.00 57.85 53.87 2roq n ARG 92 Cb 0.56 -2.13 -0.14 0.00 0.45 0.00 0.00 32.46 31.21 2roq n ARG 92 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2roq n ARG 93 N -0.71 0.71 -3.85 -0.14 1.74 -1.26 -4.91 116.66 108.24 2roq n ARG 93 Ca 0.50 0.24 -0.37 0.00 -0.77 0.00 0.00 57.85 57.45 2roq n ARG 93 Cb 1.51 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 31.20 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 -2.56 3.47 1.91 5.56 -1.94 -1.26 -4.91 119.30 119.58 2roq s MET 94 Ca -0.19 -0.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 2roq s MET 94 Cb 0.07 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.72 2roq s MET 94 CO 0.76 0.77 0.00 0.41 -0.01 0.00 0.00 175.02 176.96 2roq n GLY 95 N 1.97 0.84 2.46 -0.03 0.00 -1.17 -4.68 105.19 104.58 2roq n GLY 95 Ca -0.20 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 2roq n GLY 95 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2roq n PHE 96 N 0.00 -0.20 -3.73 1.61 7.35 -1.26 -4.95 117.46 116.29 2roq n PHE 96 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 2roq n PHE 96 Cb 0.00 -3.09 -0.04 0.00 0.35 0.00 0.00 39.48 36.70 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 -3.80 1.41 0.64 -4.13 2.02 -1.26 -5.02 118.70 108.56 2roq s GLU 97 Ca 0.00 -0.85 0.36 0.00 0.02 0.00 0.00 54.97 54.49 2roq s GLU 97 Cb 0.00 0.53 1.98 0.00 0.10 0.00 0.00 34.13 36.74 2roq s GLU 97 CO 0.00 -0.60 2.18 1.79 0.02 0.00 0.00 175.26 178.64 2roq h THR 98 N 2.17 0.17 -3.27 3.63 1.35 -1.94 -3.37 112.91 111.65 2roq h THR 98 Ca -0.28 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 64.91 2roq h THR 98 Cb 1.26 0.87 -0.33 0.00 -1.73 0.00 0.00 68.15 68.23 2roq h THR 98 CO 0.36 0.00 -0.80 -0.63 -0.25 0.00 0.00 175.52 174.20 2roq s ILE 99 N -4.31 2.56 -0.46 6.82 -1.09 -1.26 -4.37 121.20 119.09 2roq s ILE 99 Ca -0.04 -0.87 -0.10 0.00 -2.23 0.00 0.00 60.65 57.41 2roq s ILE 99 Cb 0.13 -2.16 0.11 0.00 -1.58 0.00 0.00 42.46 38.95 2roq s ILE 99 CO 0.42 0.42 0.33 -0.22 -1.23 0.00 0.00 174.94 174.67 2roq s LEU 100 N 1.34 5.56 -0.21 2.97 1.98 -1.26 -4.58 118.68 124.48 2roq s LEU 100 Ca 0.04 -1.75 -0.29 0.00 -2.89 0.00 0.00 54.13 49.24 2roq s LEU 100 Cb -0.14 -2.03 -0.03 0.00 0.66 0.00 0.00 46.19 44.65 2roq s LEU 100 CO -0.09 -0.66 1.61 -2.16 -1.89 0.00 0.00 176.35 173.17 2roq s PRO 101 N 1.41 3.82 0.19 0.98 0.04 -1.26 -4.50 135.00 135.68 2roq s PRO 101 Ca 0.05 1.68 0.11 0.00 0.04 0.00 0.00 61.00 62.88 2roq s PRO 101 Cb -0.25 -4.03 -0.08 0.00 0.04 0.00 0.00 34.50 30.18 2roq s PRO 101 CO 0.01 -1.27 1.34 -0.07 0.04 0.00 0.00 177.00 177.05 2roq h LEU 102 N 11.61 0.00 -6.00 -3.56 3.38 -1.94 -3.44 115.31 115.35 2roq h LEU 102 Ca -0.34 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.72 2roq h LEU 102 Cb 1.15 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.69 2roq h LEU 102 CO 1.00 0.75 -0.27 -0.60 0.09 0.00 0.00 178.44 179.41 2roq s ARG 103 N -2.83 0.52 -0.03 1.13 3.00 -1.10 -4.91 118.95 114.72 2roq s ARG 103 Ca 0.02 0.76 -0.01 0.00 -1.00 0.00 0.00 55.73 55.50 2roq s ARG 103 Cb 0.09 0.40 0.03 0.00 0.00 0.00 0.00 34.95 35.47 2roq s ARG 103 CO 0.78 -0.73 0.03 -1.83 0.00 0.00 0.00 175.30 173.55 2roq s GLU 104 N 2.86 0.06 0.00 5.12 -1.05 -1.26 -0.06 118.70 124.36 2roq s GLU 104 Ca 0.16 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.20 2roq s GLU 104 Cb -0.12 -0.43 0.00 0.00 -0.44 0.00 0.00 34.13 33.14 2roq s GLU 104 CO -0.22 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.17 2roq n GLY 105 N 4.60 0.35 0.00 -3.83 0.00 -1.26 -5.05 105.19 100.00 2roq n GLY 105 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 3.02 -1.26 -5.04 115.26 113.59 2roq n ASN 106 Ca 0.00 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 2roq n ASN 106 Cb 0.00 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2roq n GLY 107 N 0.51 -2.39 3.61 7.41 0.00 -1.26 -4.97 105.19 108.11 2roq n GLY 107 Ca 0.00 0.79 -0.43 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.29 3.52 -0.27 1.61 0.04 -1.26 -4.72 135.00 133.63 2roq s PRO 108 Ca 0.00 1.41 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 2roq s PRO 108 Cb 0.00 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 2roq s PRO 108 CO 0.00 -1.63 0.43 -0.08 0.04 0.00 0.00 177.00 175.76 2roq s THR 109 N 6.09 5.13 0.40 1.26 -1.32 -1.25 -0.46 115.64 125.49 2roq s THR 109 Ca 0.74 0.63 -0.23 0.00 -1.21 0.00 0.00 61.69 61.62 2roq s THR 109 Cb -0.22 -3.76 -0.10 0.00 -1.51 0.00 0.00 72.50 66.92 2roq s THR 109 CO 0.32 0.10 0.98 -0.22 -2.21 0.00 0.00 174.62 173.59 2roq s LEU 110 N 2.16 4.08 -0.34 9.08 0.20 0.43 -4.83 118.68 129.46 2roq s LEU 110 Ca 0.17 1.83 -0.10 0.00 0.69 0.00 0.00 54.13 56.73 2roq s LEU 110 Cb -0.16 -4.32 0.02 0.00 -0.43 0.00 0.00 46.19 41.30 2roq s LEU 110 CO 0.10 -0.35 0.17 -0.36 -0.29 0.00 0.00 176.35 175.61 2roq s PHE 111 N -1.89 3.22 -0.20 5.38 0.08 -1.15 -0.95 117.98 122.47 2roq s PHE 111 Ca 0.58 -0.93 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 2roq s PHE 111 Cb -0.15 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 2roq s PHE 111 CO 0.20 -0.60 -0.02 0.00 -0.10 0.00 0.00 175.22 174.70 2roq s PHE 113 N 0.99 2.34 0.27 0.00 0.08 -0.31 -1.50 117.98 119.85 2roq s PHE 113 Ca 0.01 1.34 -0.30 0.00 0.12 0.00 0.00 56.93 58.09 2roq s PHE 113 Cb -0.14 -3.14 -0.13 0.00 -0.57 0.00 0.00 43.02 39.04 2roq s PHE 113 CO 0.01 -2.30 1.42 1.58 -0.10 0.00 0.00 175.22 175.83 2roq n HIS 114 N -3.83 2.31 -0.51 0.36 -0.00 -1.24 -4.71 115.22 107.60 2roq n HIS 114 Ca 0.08 0.42 -0.01 0.00 0.46 0.00 0.00 57.72 58.67 2roq n HIS 114 Cb 0.55 -2.48 0.01 0.00 -0.12 0.00 0.00 29.99 27.95 2roq n HIS 114 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2roq n PRO 115 N 1.77 -1.11 0.08 1.57 -0.04 -1.26 -4.52 135.00 131.48 2roq n PRO 115 Ca 0.10 -0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.53 2roq n PRO 115 Cb 0.33 -0.07 -0.03 0.00 -0.04 0.00 0.00 33.50 33.69 2roq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2roq h ALA 116 N -2.03 0.61 0.00 0.55 0.00 -1.93 -3.40 119.26 113.06 2roq h ALA 116 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2roq h ALA 116 Cb 0.05 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2roq h ALA 116 CO 0.01 0.50 -0.19 1.03 0.00 0.00 0.00 179.25 180.60 2roq h SER 117 N 0.00 0.00 0.00 0.00 0.87 -1.97 -3.42 113.55 109.03 2roq h SER 117 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2roq h SER 117 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2roq h SER 117 CO 0.03 0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 2roq n GLY 118 N 1.73 0.27 3.13 5.77 0.00 -1.26 -4.75 105.19 110.08 2roq n GLY 118 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2roq n GLY 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2roq s PHE 119 N 0.00 1.21 -0.37 1.61 -0.71 -1.26 -3.66 117.98 114.79 2roq s PHE 119 Ca 0.00 -0.33 0.07 0.00 -1.04 0.00 0.00 56.93 55.63 2roq s PHE 119 Cb 0.00 -0.73 0.61 0.00 -1.21 0.00 0.00 43.02 41.69 2roq s PHE 119 CO 0.00 0.02 1.63 0.00 -1.34 0.00 0.00 175.22 175.54 2roq n ALA 120 N 2.05 4.33 0.28 1.99 0.00 -1.26 -4.40 120.51 123.50 2roq n ALA 120 Ca -0.17 -1.95 0.15 0.00 0.00 0.00 0.00 53.44 51.47 2roq n ALA 120 Cb 0.55 -1.23 0.84 0.00 0.00 0.00 0.00 19.45 19.61 2roq n ALA 120 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2roq h TRP 121 N 2.05 0.00 -0.43 0.00 6.55 -1.92 -1.13 115.95 121.07 2roq h TRP 121 Ca 0.26 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.08 2roq h TRP 121 Cb 2.12 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 30.41 2roq h TRP 121 CO 1.10 0.07 0.02 0.00 -1.05 0.00 0.00 178.44 178.57 2roq n GLN 122 N -3.52 3.74 -0.42 0.49 10.64 -1.26 -4.17 117.38 122.88 2roq n GLN 122 Ca -0.02 -2.27 0.05 0.00 -1.83 0.00 0.00 57.00 52.93 2roq n GLN 122 Cb 0.19 -2.05 0.23 0.00 -0.86 0.00 0.00 30.24 27.75 2roq n GLN 122 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2roq n PHE 123 N 0.40 1.01 0.17 2.61 7.35 -0.43 -4.17 117.46 124.40 2roq n PHE 123 Ca 0.21 -0.39 0.01 0.00 -0.76 0.00 0.00 57.45 56.53 2roq n PHE 123 Cb 0.96 -0.21 0.32 0.00 0.35 0.00 0.00 39.48 40.89 2roq n PHE 123 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2roq h SER 124 N 2.52 0.04 -0.55 -2.13 4.64 -1.74 -1.12 113.55 115.20 2roq h SER 124 Ca 0.00 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2roq h SER 124 Cb 1.09 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 2roq h SER 124 CO 0.18 0.43 0.33 1.62 -0.87 0.00 0.00 176.83 178.52 2roq h VAL 125 N 0.03 1.04 0.00 0.95 3.04 -1.93 -2.01 116.25 117.37 2roq h VAL 125 Ca 0.00 -0.22 -0.21 0.00 -1.01 0.00 0.00 66.70 65.26 2roq h VAL 125 Cb 0.72 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 30.31 2roq h VAL 125 CO 0.05 0.12 -1.09 0.25 -1.01 0.00 0.00 177.57 175.89 2roq h LEU 126 N 0.64 0.00 -1.83 3.16 6.46 -1.85 -2.30 115.31 119.60 2roq h LEU 126 Ca 0.23 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2roq h LEU 126 Cb 0.04 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2roq h LEU 126 CO -0.11 0.89 -0.02 -1.28 -0.62 0.00 0.00 178.44 177.30 2roq h SER 127 N 0.00 0.07 0.00 1.25 0.87 -0.82 0.36 113.55 115.28 2roq h SER 127 Ca -0.08 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 2roq h SER 127 Cb 1.74 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.68 2roq h SER 127 CO 0.10 0.11 -2.04 -2.11 -0.53 0.00 0.00 176.83 172.36 2roq n ARG 128 N -4.46 0.66 -0.07 2.24 1.85 -0.79 -1.54 116.66 114.55 2roq n ARG 128 Ca -0.02 -0.17 -0.10 0.00 -1.00 0.00 0.00 57.85 56.56 2roq n ARG 128 Cb 0.13 -1.51 -0.08 0.00 -1.05 0.00 0.00 32.46 29.96 2roq n ARG 128 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 2roq h TYR 129 N 0.00 0.00 -0.23 2.89 -1.99 -0.91 -3.37 116.97 113.36 2roq h TYR 129 Ca -0.07 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 2roq h TYR 129 Cb 1.15 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 2roq h TYR 129 CO 0.00 0.65 0.06 1.25 -0.00 0.00 0.00 178.16 180.12 2roq h LEU 130 N -1.00 0.34 0.00 3.88 6.46 -0.53 -3.46 115.31 120.99 2roq h LEU 130 Ca -0.04 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2roq h LEU 130 Cb 0.67 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2roq h LEU 130 CO -0.02 0.47 0.00 0.47 -0.62 0.00 0.00 178.44 178.74 2roq n ASP 131 N -4.75 0.00 0.00 1.25 8.00 -1.24 -4.94 116.55 114.87 2roq n ASP 131 Ca -0.04 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.54 2roq n ASP 131 Cb 0.17 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.62 2roq n ASP 131 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2roq n PRO 132 N 0.00 0.16 -0.02 -0.24 -0.04 -0.59 -3.67 135.00 130.60 2roq n PRO 132 Ca 0.00 0.17 -0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2roq n PRO 132 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.33 0.14 -1.15 0.54 6.02 -1.26 -4.96 117.38 115.38 2roq n GLN 133 Ca 0.06 0.32 -0.36 0.00 -0.01 0.00 0.00 57.00 57.01 2roq n GLN 133 Cb 0.13 -1.03 0.06 0.00 1.02 0.00 0.00 30.24 30.43 2roq n GLN 133 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2roq n TRP 134 N -2.99 -1.91 -2.66 1.08 5.03 -1.24 -4.29 117.44 110.46 2roq n TRP 134 Ca -0.02 0.29 -0.35 0.00 3.03 0.00 0.00 57.50 60.44 2roq n TRP 134 Cb 0.09 -1.79 -0.05 0.00 -1.03 0.00 0.00 31.31 28.53 2roq n TRP 134 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 2roq s SER 135 N -1.41 6.82 -0.17 -0.99 0.01 0.39 -4.87 113.70 113.49 2roq s SER 135 Ca 0.59 1.89 -0.05 0.00 1.31 0.00 0.00 55.95 59.68 2roq s SER 135 Cb -0.32 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.42 2roq s SER 135 CO 0.65 -0.44 0.33 0.27 0.41 0.00 0.00 173.24 174.46 2roq s ILE 136 N -1.85 -0.52 -0.07 1.44 -4.36 0.91 -0.43 121.20 116.31 2roq s ILE 136 Ca 0.59 0.20 -0.04 0.00 -0.26 0.00 0.00 60.65 61.14 2roq s ILE 136 Cb -0.17 -0.57 0.03 0.00 1.25 0.00 0.00 42.46 43.01 2roq s ILE 136 CO 0.21 0.07 0.18 0.27 0.24 0.00 0.00 174.94 175.92 2roq s ILE 137 N 2.51 -0.03 0.27 8.37 -4.36 -0.13 -2.72 121.20 125.11 2roq s ILE 137 Ca 0.01 0.11 0.07 0.00 -0.26 0.00 0.00 60.65 60.58 2roq s ILE 137 Cb -0.12 -0.28 -0.06 0.00 1.25 0.00 0.00 42.46 43.25 2roq s ILE 137 CO -0.11 0.05 -0.08 -0.83 0.24 0.00 0.00 174.94 174.21 2roq s GLY 138 N 0.84 1.78 -0.82 6.27 0.00 -1.26 -2.90 107.32 111.23 2roq s GLY 138 Ca -0.06 -1.87 -0.25 0.00 0.00 0.00 0.00 44.72 42.53 2roq s GLY 138 CO -0.05 -1.84 1.54 -1.50 0.00 0.00 0.00 173.10 171.25 2roq s ILE 139 N -2.98 3.67 -0.06 0.90 1.10 -0.56 -4.31 121.20 118.95 2roq s ILE 139 Ca 0.29 -0.07 -0.09 0.00 -0.51 0.00 0.00 60.65 60.26 2roq s ILE 139 Cb 0.03 -4.64 0.02 0.00 0.15 0.00 0.00 42.46 38.02 2roq s ILE 139 CO 0.11 -1.57 0.23 0.00 -2.11 0.00 0.00 174.94 171.61 2roq s GLN 140 N 5.96 0.40 0.05 3.50 1.03 -1.26 -3.68 119.66 125.65 2roq s GLN 140 Ca 0.49 0.09 -0.27 0.00 0.04 0.00 0.00 55.36 55.71 2roq s GLN 140 Cb -0.06 0.18 0.09 0.00 0.03 0.00 0.00 33.01 33.25 2roq s GLN 140 CO 0.07 -0.08 0.82 -1.12 -2.54 0.00 0.00 175.29 172.44 2roq s SER 141 N -0.45 -0.40 -0.17 12.60 0.01 -1.24 -4.01 113.70 120.04 2roq s SER 141 Ca -0.06 -0.04 -0.29 0.00 1.31 0.00 0.00 55.95 56.88 2roq s SER 141 Cb -0.04 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.61 2roq s SER 141 CO 0.01 -0.74 1.58 -2.16 0.41 0.00 0.00 173.24 172.34 2roq s PRO 142 N -3.30 3.96 -0.60 12.44 0.04 -1.26 -4.68 135.00 141.60 2roq s PRO 142 Ca 0.05 1.81 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 2roq s PRO 142 Cb -0.01 -3.98 0.16 0.00 0.04 0.00 0.00 34.50 30.70 2roq s PRO 142 CO -0.09 -1.09 0.48 0.50 0.04 0.00 0.00 177.00 176.84 2roq s ARG 143 N 4.34 2.78 0.16 4.56 3.00 -1.26 -4.92 118.95 127.61 2roq s ARG 143 Ca 0.70 -2.15 -0.09 0.00 -1.00 0.00 0.00 55.73 53.19 2roq s ARG 143 Cb -0.27 -4.00 0.01 0.00 0.00 0.00 0.00 34.95 30.70 2roq s ARG 143 CO 0.27 -1.22 1.50 -1.00 0.00 0.00 0.00 175.30 174.86 2roq h PRO 144 N 7.90 0.86 0.00 5.12 0.13 -2.00 -3.42 132.00 140.59 2roq h PRO 144 Ca -0.08 -0.45 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 2roq h PRO 144 Cb 1.03 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.11 2roq h PRO 144 CO 0.80 1.09 -0.12 -1.71 -0.23 0.00 0.00 178.00 177.83 2roq n ASN 145 N -4.05 -0.58 -4.44 1.44 2.85 -1.26 -4.95 115.26 104.27 2roq n ASN 145 Ca -0.02 -1.32 -0.50 0.00 -0.11 0.00 0.00 54.58 52.64 2roq n ASN 145 Cb 0.54 0.25 -0.08 0.00 1.24 0.00 0.00 39.78 41.73 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roq n GLY 146 N -0.45 0.36 0.11 8.20 0.00 -1.26 -4.78 105.19 107.36 2roq n GLY 146 Ca -0.09 0.94 0.11 0.00 0.00 0.00 0.00 46.02 46.98 2roq n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2roq n PRO 147 N 8.23 0.16 0.04 1.61 -0.04 -1.26 -2.30 135.00 141.44 2roq n PRO 147 Ca 0.44 0.40 0.07 0.00 -0.04 0.00 0.00 63.50 64.37 2roq n PRO 147 Cb 0.22 -1.81 -0.09 0.00 -0.04 0.00 0.00 33.50 31.79 2roq n PRO 147 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2roq n MET 148 N -2.10 0.63 0.04 0.54 1.56 -1.26 -3.98 117.12 112.55 2roq n MET 148 Ca 0.02 0.02 0.08 0.00 -0.27 0.00 0.00 57.70 57.55 2roq n MET 148 Cb 0.21 -1.70 0.33 0.00 2.15 0.00 0.00 33.22 34.22 2roq n MET 148 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 2roq n GLN 149 N -2.58 0.05 0.43 2.12 1.13 -0.97 0.10 117.38 117.66 2roq n GLN 149 Ca -0.06 0.34 -0.17 0.00 -1.94 0.00 0.00 57.00 55.17 2roq n GLN 149 Cb 0.66 -1.61 -0.08 0.00 0.11 0.00 0.00 30.24 29.32 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 -1.69 -3.36 112.91 114.30 2roq h THR 150 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2roq h THR 150 Cb 0.24 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.66 2roq h THR 150 CO 0.00 0.00 -0.62 0.00 -0.25 0.00 0.00 175.52 174.65 2roq n ALA 151 N -2.66 1.53 1.44 6.62 0.00 -1.21 -4.61 120.51 121.61 2roq n ALA 151 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.36 2roq n ALA 151 Cb 0.43 0.12 0.20 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.31 2.50 0.04 0.00 0.00 0.68 -3.99 120.51 118.42 2roq n ALA 152 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.14 2roq n ALA 152 Cb 0.24 -1.05 0.45 0.00 0.00 0.00 0.00 19.45 19.10 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 1.17 0.40 -0.36 0.00 7.08 -0.49 -1.16 115.58 122.23 2roq h ASN 153 Ca 0.00 -0.01 -0.12 0.00 -3.08 0.00 0.00 56.30 53.09 2roq h ASN 153 Cb 0.26 -0.10 -0.01 0.00 -2.08 0.00 0.00 38.32 36.40 2roq h ASN 153 CO 0.00 0.29 -0.25 -0.07 -2.08 0.00 0.00 177.43 175.33 2roq h LEU 154 N 0.47 0.84 -0.50 6.14 3.38 -1.86 -1.92 115.31 121.86 2roq h LEU 154 Ca 0.13 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2roq h LEU 154 Cb -0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2roq h LEU 154 CO -0.03 1.10 -0.04 -0.78 0.09 0.00 0.00 178.44 178.78 2roq h ASP 155 N 0.59 0.90 0.80 -0.43 3.58 -1.67 -0.44 116.42 119.75 2roq h ASP 155 Ca 0.07 -0.33 -0.04 0.00 0.42 0.00 0.00 57.03 57.15 2roq h ASP 155 Cb 0.81 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.63 2roq h ASP 155 CO 0.07 1.02 -0.39 -0.08 -2.88 0.00 0.00 179.24 176.98 2roq h GLU 156 N 0.77 -1.04 -0.78 0.28 4.81 -1.20 -2.11 114.58 115.32 2roq h GLU 156 Ca 0.14 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 2roq h GLU 156 Cb 0.58 0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 2roq h GLU 156 CO 0.03 -0.69 0.51 -0.39 -0.73 0.00 0.00 179.01 177.74 2roq h VAL 157 N -1.22 0.99 0.68 0.32 -1.51 -1.41 0.25 116.25 114.35 2roq h VAL 157 Ca -0.11 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 65.07 2roq h VAL 157 Cb 0.83 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.13 2roq h VAL 157 CO 0.18 0.14 -0.45 0.00 -1.23 0.00 0.00 177.57 176.21 2roq h GLU 159 N -1.07 0.55 0.39 0.00 4.39 -1.08 -1.96 114.58 115.80 2roq h GLU 159 Ca -0.09 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 2roq h GLU 159 Cb 0.87 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 2roq h GLU 159 CO 0.07 0.71 -0.51 0.00 -1.16 0.00 0.00 179.01 178.11 2roq h ALA 160 N 0.82 -1.11 0.08 3.43 0.00 -0.44 0.23 119.26 122.26 2roq h ALA 160 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2roq h ALA 160 Cb 0.48 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2roq h ALA 160 CO 0.02 -1.17 -0.27 1.25 0.00 0.00 0.00 179.25 179.08 2roq h HIS 161 N -0.93 -0.74 -0.32 0.00 -0.00 -0.72 -2.02 115.15 110.41 2roq h HIS 161 Ca -0.05 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.42 2roq h HIS 161 Cb 0.84 0.32 -0.08 0.00 -0.00 0.00 0.00 27.41 28.49 2roq h HIS 161 CO -0.32 -0.37 -0.22 -0.07 -0.00 0.00 0.00 177.93 176.95 2roq h LEU 162 N -0.46 -0.74 -0.80 0.26 -0.00 -1.20 0.15 115.31 112.52 2roq h LEU 162 Ca 0.04 0.15 0.17 0.00 -0.00 0.00 0.00 57.88 58.24 2roq h LEU 162 Cb 0.51 0.37 -0.11 0.00 -0.00 0.00 0.00 40.66 41.43 2roq h LEU 162 CO -0.19 -0.25 0.32 0.00 -0.00 0.00 0.00 178.44 178.32 2roq h ALA 163 N 0.96 1.17 -0.37 1.53 0.00 -0.20 0.73 119.26 123.08 2roq h ALA 163 Ca 0.17 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 2roq h ALA 163 Cb 0.44 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2roq h ALA 163 CO -0.44 -0.26 -0.21 1.15 0.00 0.00 0.00 179.25 179.49 2roq h THR 164 N 0.42 1.27 0.74 0.00 2.02 -0.44 -1.23 112.91 115.69 2roq h THR 164 Ca 0.46 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 2roq h THR 164 Cb 0.77 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2roq h THR 164 CO -0.46 0.43 -0.39 -0.07 0.37 0.00 0.00 175.52 175.40 2roq h LEU 165 N 0.63 -0.95 -0.37 2.58 4.07 1.00 -1.75 115.31 120.52 2roq h LEU 165 Ca 0.09 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2roq h LEU 165 Cb 0.70 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.70 2roq h LEU 165 CO 0.05 -0.64 0.00 0.18 -1.08 0.00 0.00 178.44 176.95 2roq n LEU 166 N -5.55 0.36 0.15 1.67 7.99 -0.67 -2.09 117.00 118.86 2roq n LEU 166 Ca -0.14 0.59 0.06 0.00 -0.01 0.00 0.00 56.01 56.50 2roq n LEU 166 Cb 0.43 -0.54 0.06 0.00 -0.11 0.00 0.00 43.42 43.26 2roq n LEU 166 CO 0.37 -0.41 0.49 -0.33 -1.51 0.00 0.00 177.39 176.00 2roq h GLU 167 N 0.00 0.00 0.01 3.23 4.39 -0.55 -3.32 114.58 118.35 2roq h GLU 167 Ca 0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 2roq h GLU 167 Cb 0.31 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 2roq h GLU 167 CO 0.00 0.31 -2.11 1.04 -1.16 0.00 0.00 179.01 177.10 2roq n GLN 168 N -3.14 0.67 -3.57 2.33 1.13 -0.72 -5.03 117.38 109.05 2roq n GLN 168 Ca 0.02 0.14 -0.08 0.00 -1.94 0.00 0.00 57.00 55.13 2roq n GLN 168 Cb 0.67 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 29.35 2roq n GLN 168 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2roq s GLN 169 N -2.54 0.54 -0.02 -1.09 -0.21 -0.94 -5.07 119.66 110.34 2roq s GLN 169 Ca -0.10 0.00 -0.26 0.00 0.02 0.00 0.00 55.36 55.02 2roq s GLN 169 Cb 0.07 0.25 -0.20 0.00 1.00 0.00 0.00 33.01 34.13 2roq s GLN 169 CO 0.81 -0.20 1.27 -1.00 -2.12 0.00 0.00 175.29 174.05 2roq h PRO 170 N 2.31 0.02 -2.91 2.91 0.13 -1.84 -3.32 132.00 129.29 2roq h PRO 170 Ca -0.17 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.91 2roq h PRO 170 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2roq h PRO 170 CO 0.29 0.50 0.07 -3.38 -0.23 0.00 0.00 178.00 175.25 2roq s HIS 171 N -4.25 -0.42 0.00 1.56 -3.43 -1.26 -4.80 115.29 102.70 2roq s HIS 171 Ca -0.16 0.35 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 2roq s HIS 171 Cb 0.02 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 2roq s HIS 171 CO 0.68 -0.71 0.00 0.41 -2.00 0.00 0.00 174.74 173.12 2roq n GLY 172 N 0.11 2.90 3.61 -1.38 0.00 -1.26 -4.96 105.19 104.20 2roq n GLY 172 Ca -0.18 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 2roq n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 173 N -2.01 3.54 0.09 1.61 0.04 -1.24 -4.35 135.00 132.68 2roq s PRO 173 Ca 0.00 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.50 2roq s PRO 173 Cb 0.00 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 2roq s PRO 173 CO 0.00 -1.61 -0.10 0.71 0.04 0.00 0.00 177.00 176.04 2roq s TYR 174 N 6.05 1.00 0.12 0.56 2.02 -1.26 -4.77 117.35 121.08 2roq s TYR 174 Ca 0.74 -0.66 0.04 0.00 -0.37 0.00 0.00 57.07 56.82 2roq s TYR 174 Cb -0.22 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.75 2roq s TYR 174 CO 0.32 -0.03 0.14 0.71 -1.57 0.00 0.00 175.55 175.12 2roq s TYR 175 N -2.39 3.24 0.16 2.71 2.02 -1.26 -2.04 117.35 119.78 2roq s TYR 175 Ca 0.04 0.06 0.10 0.00 -0.37 0.00 0.00 57.07 56.89 2roq s TYR 175 Cb -0.03 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 2roq s TYR 175 CO -0.00 0.53 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.78 2roq s LEU 176 N -2.79 2.41 -0.03 -1.29 2.01 -1.17 -2.92 118.68 114.91 2roq s LEU 176 Ca 0.31 -0.84 0.00 0.00 0.01 0.00 0.00 54.13 53.62 2roq s LEU 176 Cb -0.11 -0.96 0.02 0.00 0.01 0.00 0.00 46.19 45.15 2roq s LEU 176 CO 0.24 0.04 -0.00 -0.76 1.01 0.00 0.00 176.35 176.87 2roq s LEU 177 N -2.55 1.24 0.10 1.79 1.02 -1.20 -0.32 118.68 118.76 2roq s LEU 177 Ca 0.16 -0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.31 2roq s LEU 177 Cb -0.07 -0.22 -0.04 0.00 0.02 0.00 0.00 46.19 45.88 2roq s LEU 177 CO 0.07 -0.09 -0.09 -0.83 0.02 0.00 0.00 176.35 175.43 2roq s GLY 178 N 0.93 0.82 -0.08 -3.19 0.00 -0.94 -1.16 107.32 103.71 2roq s GLY 178 Ca -0.09 -1.22 -0.06 0.00 0.00 0.00 0.00 44.72 43.35 2roq s GLY 178 CO -0.02 -1.30 0.19 -0.19 0.00 0.00 0.00 173.10 171.79 2roq s TYR 179 N -2.70 -0.23 0.00 1.90 2.02 -1.26 -3.40 117.35 113.68 2roq s TYR 179 Ca 0.07 0.56 0.00 0.00 -0.37 0.00 0.00 57.07 57.33 2roq s TYR 179 Cb -0.01 0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.59 2roq s TYR 179 CO -0.01 -0.14 0.00 0.43 -1.57 0.00 0.00 175.55 174.26 2roq n SER 180 N 3.43 0.00 -0.45 2.29 7.64 -1.26 -1.83 113.62 123.44 2roq n SER 180 Ca -0.17 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.82 2roq n SER 180 Cb 0.56 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.87 2roq n SER 180 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2roq n LEU 181 N 0.00 1.80 -0.20 -3.43 4.32 -1.26 -4.34 117.00 113.88 2roq n LEU 181 Ca 0.00 -0.64 0.30 0.00 -0.02 0.00 0.00 56.01 55.66 2roq n LEU 181 Cb 0.00 -0.03 0.73 0.00 -1.62 0.00 0.00 43.42 42.50 2roq n LEU 181 CO 0.00 0.33 1.28 1.23 -1.22 0.00 0.00 177.39 179.01 2roq h GLY 182 N 4.87 0.00 0.53 -0.72 0.00 -1.66 -1.98 103.07 104.11 2roq h GLY 182 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2roq h GLY 182 CO 0.00 0.00 -0.47 -1.33 0.00 0.00 0.00 176.54 174.74 2roq h GLY 183 N 0.00 -1.24 0.79 4.60 0.00 -1.86 0.34 103.07 105.69 2roq h GLY 183 Ca 0.46 0.56 -0.03 0.00 0.00 0.00 0.00 47.33 48.31 2roq h GLY 183 CO -0.00 -0.38 -0.01 -0.91 0.00 0.00 0.00 176.54 175.23 2roq h THR 184 N -0.98 1.26 -0.29 4.70 1.35 -1.74 -2.12 112.91 115.10 2roq h THR 184 Ca -0.07 -0.89 0.06 0.00 -0.55 0.00 0.00 66.41 64.96 2roq h THR 184 Cb 0.83 1.53 -0.06 0.00 -1.73 0.00 0.00 68.15 68.72 2roq h THR 184 CO -0.02 0.26 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.35 2roq h LEU 185 N 0.03 -0.34 -0.81 3.87 -0.00 -1.36 -1.69 115.31 115.00 2roq h LEU 185 Ca 0.04 0.10 0.01 0.00 -0.00 0.00 0.00 57.88 58.03 2roq h LEU 185 Cb 0.41 0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 41.23 2roq h LEU 185 CO 0.01 -0.13 0.54 0.00 -0.00 0.00 0.00 178.44 178.86 2roq h ALA 186 N 1.23 1.03 -0.21 1.53 0.00 -0.31 -2.07 119.26 120.45 2roq h ALA 186 Ca 0.14 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2roq h ALA 186 Cb 0.26 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2roq h ALA 186 CO -0.32 0.44 -0.15 0.37 0.00 0.00 0.00 179.25 179.60 2roq h GLN 187 N 1.10 -0.13 0.43 0.00 5.75 -0.62 0.29 115.11 121.92 2roq h GLN 187 Ca 0.30 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.79 2roq h GLN 187 Cb -0.13 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.46 2roq h GLN 187 CO -0.06 -0.09 -0.21 0.78 -2.65 0.00 0.00 178.83 176.60 2roq h GLY 188 N -0.14 -0.60 0.48 2.39 0.00 -1.12 -2.12 103.07 101.96 2roq h GLY 188 Ca 0.12 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.73 2roq h GLY 188 CO -0.30 -0.22 -0.03 -2.22 0.00 0.00 0.00 176.54 173.77 2roq h ILE 189 N -0.66 0.75 -0.09 2.60 2.04 -1.19 -2.05 117.51 118.91 2roq h ILE 189 Ca -0.06 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2roq h ILE 189 Cb 0.49 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 2roq h ILE 189 CO 0.10 0.01 -0.33 0.00 0.00 0.00 0.00 178.15 177.92 2roq h ALA 190 N 1.28 -0.43 -0.92 1.87 0.00 -0.38 -0.63 119.26 120.05 2roq h ALA 190 Ca 0.15 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.24 2roq h ALA 190 Cb 0.21 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2roq h ALA 190 CO -0.27 -0.82 0.59 0.00 0.00 0.00 0.00 179.25 178.75 2roq h ALA 191 N 0.34 1.97 -0.38 0.00 0.00 -1.04 0.15 119.26 120.29 2roq h ALA 191 Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2roq h ALA 191 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2roq h ALA 191 CO -0.33 -0.26 0.01 0.00 0.00 0.00 0.00 179.25 178.67 2roq h ARG 192 N 0.58 0.60 0.33 0.00 -0.00 -0.42 -2.12 114.38 113.35 2roq h ARG 192 Ca 0.48 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.98 59.82 2roq h ARG 192 Cb 0.96 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.85 2roq h ARG 192 CO -0.23 0.61 -0.16 -0.07 0.00 0.00 0.00 179.97 180.13 2roq h LEU 193 N 0.57 -0.38 -1.98 3.04 3.38 -0.02 0.28 115.31 120.20 2roq h LEU 193 Ca 0.12 -0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.10 2roq h LEU 193 Cb 0.35 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2roq h LEU 193 CO 0.01 0.08 0.47 -0.09 0.09 0.00 0.00 178.44 178.99 2roq h ARG 194 N -0.99 0.00 0.00 1.13 2.43 -1.34 0.32 114.38 115.93 2roq h ARG 194 Ca -0.05 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 2roq h ARG 194 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2roq h ARG 194 CO 0.08 0.00 -1.49 0.00 -1.51 0.00 0.00 179.97 177.04 2roq n ALA 195 N -2.46 2.15 0.68 2.80 0.00 -0.80 -3.94 120.51 118.94 2roq n ALA 195 Ca 0.10 -0.54 0.13 0.00 0.00 0.00 0.00 53.44 53.13 2roq n ALA 195 Cb 0.68 -0.89 0.41 0.00 0.00 0.00 0.00 19.45 19.64 2roq n ALA 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2roq n ARG 196 N -2.74 0.22 0.00 0.00 5.12 0.96 -4.90 116.66 115.33 2roq n ARG 196 Ca -0.09 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2roq n ARG 196 Cb 0.76 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 2roq n ARG 196 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2roq n GLY 197 N 1.34 1.04 3.93 -0.13 0.00 -0.13 -5.05 105.19 106.20 2roq n GLY 197 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.83 2.14 -0.22 1.61 2.02 -0.35 -4.94 118.70 118.11 2roq s GLU 198 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2roq s GLU 198 Cb 0.00 -2.14 0.06 0.00 0.10 0.00 0.00 34.13 32.14 2roq s GLU 198 CO 0.00 -1.30 -0.05 1.14 0.02 0.00 0.00 175.26 175.07 2roq s GLN 199 N -5.29 1.57 -0.09 1.61 -2.07 -1.26 -4.35 119.66 109.78 2roq s GLN 199 Ca 0.61 -0.91 -0.27 0.00 -1.82 0.00 0.00 55.36 52.97 2roq s GLN 199 Cb -0.11 -2.51 -0.02 0.00 -1.09 0.00 0.00 33.01 29.28 2roq s GLN 199 CO 0.45 -0.58 0.87 0.14 -1.32 0.00 0.00 175.29 174.86 2roq s VAL 200 N 1.44 4.90 -0.08 3.63 -7.23 -1.26 -3.61 120.40 118.19 2roq s VAL 200 Ca -0.05 1.78 -0.16 0.00 -1.81 0.00 0.00 61.98 61.74 2roq s VAL 200 Cb -0.18 -4.20 -0.12 0.00 0.56 0.00 0.00 36.38 32.44 2roq s VAL 200 CO -0.07 0.11 0.58 0.00 -0.31 0.00 0.00 175.10 175.42 2roq h ALA 201 N 7.01 -0.18 -0.61 1.32 0.00 -1.68 -3.46 119.26 121.66 2roq h ALA 201 Ca -0.35 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.55 2roq h ALA 201 Cb 1.17 0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.82 2roq h ALA 201 CO 0.80 -0.21 -0.01 0.12 0.00 0.00 0.00 179.25 179.95 2roq s PHE 202 N -2.72 -0.93 -0.00 0.00 5.36 -1.19 -4.89 117.98 113.61 2roq s PHE 202 Ca -0.09 1.01 -0.30 0.00 -0.96 0.00 0.00 56.93 56.59 2roq s PHE 202 Cb -0.00 0.34 -0.03 0.00 -0.34 0.00 0.00 43.02 42.98 2roq s PHE 202 CO 0.34 -0.50 1.00 -1.17 -1.46 0.00 0.00 175.22 173.43 2roq s LEU 203 N 2.90 4.36 -0.20 6.12 0.20 -1.23 -3.07 118.68 127.76 2roq s LEU 203 Ca 0.07 1.68 -0.05 0.00 0.69 0.00 0.00 54.13 56.52 2roq s LEU 203 Cb -0.12 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.05 2roq s LEU 203 CO -0.15 -0.30 0.01 -0.83 -0.29 0.00 0.00 176.35 174.79 2roq s GLY 204 N 1.03 1.74 -0.25 7.98 0.00 0.56 -2.03 107.32 116.35 2roq s GLY 204 Ca 0.52 -0.97 -0.02 0.00 0.00 0.00 0.00 44.72 44.25 2roq s GLY 204 CO 0.27 0.23 0.07 1.08 0.00 0.00 0.00 173.10 174.75 2roq s LEU 205 N 0.97 1.46 -0.37 0.66 1.02 -1.02 -2.21 118.68 119.19 2roq s LEU 205 Ca 0.02 -1.17 -0.03 0.00 0.02 0.00 0.00 54.13 52.96 2roq s LEU 205 Cb -0.14 -0.65 0.08 0.00 0.02 0.00 0.00 46.19 45.50 2roq s LEU 205 CO 0.02 -0.36 0.13 -1.48 0.02 0.00 0.00 176.35 174.68 2roq s LEU 206 N 1.81 4.73 0.00 1.79 0.05 -1.22 -1.85 118.68 123.99 2roq s LEU 206 Ca 0.04 -1.68 0.00 0.00 0.05 0.00 0.00 54.13 52.54 2roq s LEU 206 Cb -0.17 -1.80 0.00 0.00 -2.05 0.00 0.00 46.19 42.17 2roq s LEU 206 CO -0.18 -0.43 0.00 -0.90 -0.55 0.00 0.00 176.35 174.29 2roq n ASP 207 N 4.64 0.00 0.00 1.48 5.68 -1.26 -4.39 116.55 122.70 2roq n ASP 207 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 2roq n ASP 207 Cb 0.42 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 2roq n ASP 207 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2roq n THR 208 N 0.00 0.00 -2.67 2.12 5.66 -1.01 -2.70 114.28 115.68 2roq n THR 208 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 2roq n THR 208 Cb 0.00 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 2roq n THR 208 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 2roq n TRP 209 N -0.14 -0.63 -1.16 1.09 -0.00 -1.25 -4.83 117.44 110.52 2roq n TRP 209 Ca 0.00 -0.72 -0.29 0.00 -0.00 0.00 0.00 57.50 56.50 2roq n TRP 209 Cb 0.00 1.10 0.18 0.00 -0.00 0.00 0.00 31.31 32.59 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2roq s PRO 210 N 0.27 0.36 0.00 5.87 0.04 -1.26 -4.92 135.00 135.37 2roq s PRO 210 Ca 0.26 0.50 0.14 0.00 0.04 0.00 0.00 61.00 61.94 2roq s PRO 210 Cb 0.19 -1.73 0.66 0.00 0.04 0.00 0.00 34.50 33.66 2roq s PRO 210 CO -0.09 -2.77 1.44 -0.35 0.04 0.00 0.00 177.00 175.27 2roq n PRO 211 N -4.20 0.07 0.00 0.56 -0.04 -1.26 -4.76 135.00 125.37 2roq n PRO 211 Ca 0.05 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2roq n PRO 211 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2roq n PRO 211 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2roq n GLU 212 N -1.42 0.35 -0.02 0.54 2.13 -1.26 -5.01 120.64 115.95 2roq n GLU 212 Ca 0.05 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.85 2roq n GLU 212 Cb 0.15 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.88 2roq n GLU 212 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2roq n THR 213 N -1.25 0.00 0.00 6.31 5.66 -1.26 -4.90 114.28 118.84 2roq n THR 213 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2roq n THR 213 Cb 0.00 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 2roq n THR 213 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roq n GLN 214 N -2.08 0.00 -2.70 1.09 6.02 -1.26 -4.72 117.38 113.73 2roq n GLN 214 Ca 0.01 0.75 -0.22 0.00 -0.01 0.00 0.00 57.00 57.52 2roq n GLN 214 Cb 0.04 -1.41 0.09 0.00 1.02 0.00 0.00 30.24 29.98 2roq n GLN 214 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2roq s ASN 215 N -2.68 4.56 -0.02 1.08 -0.87 -1.26 -4.89 114.94 110.87 2roq s ASN 215 Ca 0.00 -0.48 0.22 0.00 -1.57 0.00 0.00 52.86 51.03 2roq s ASN 215 Cb 0.00 0.04 -0.30 0.00 -0.02 0.00 0.00 41.25 40.97 2roq s ASN 215 CO 0.00 -1.71 0.60 -2.67 -2.57 0.00 0.00 177.10 170.75 2roq n TRP 216 N -2.67 0.02 1.07 2.20 4.27 -1.26 -4.18 117.44 116.90 2roq n TRP 216 Ca 0.15 0.01 0.12 0.00 -3.89 0.00 0.00 57.50 53.88 2roq n TRP 216 Cb 0.61 -0.39 0.12 0.00 -1.36 0.00 0.00 31.31 30.28 2roq n TRP 216 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 2roq n GLN 217 N -2.08 0.68 -0.38 -2.67 1.13 -1.26 -4.32 117.38 108.47 2roq n GLN 217 Ca -0.02 -0.51 0.31 0.00 -1.94 0.00 0.00 57.00 54.84 2roq n GLN 217 Cb 0.51 -1.49 0.60 0.00 0.11 0.00 0.00 30.24 29.97 2roq n GLN 217 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2roq h GLU 218 N 1.23 0.21 -1.75 -1.09 5.08 -1.73 -1.42 114.58 115.12 2roq h GLU 218 Ca 0.00 -0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 57.83 2roq h GLU 218 Cb 0.60 -0.05 -0.41 0.00 0.50 0.00 0.00 28.75 29.39 2roq h GLU 218 CO 0.00 0.14 -0.91 1.17 -1.00 0.00 0.00 179.01 178.40 2roq n LYS 219 N -4.58 2.32 -0.06 2.33 4.81 -1.26 -4.03 118.16 117.70 2roq n LYS 219 Ca 0.31 -4.08 -0.07 0.00 -0.87 0.00 0.00 58.31 53.59 2roq n LYS 219 Cb 1.17 -1.91 -0.06 0.00 0.02 0.00 0.00 35.03 34.25 2roq n LYS 219 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2roq n GLU 220 N -0.15 1.16 0.00 1.64 4.07 -0.54 -4.98 120.64 121.84 2roq n GLU 220 Ca 0.27 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.41 2roq n GLU 220 Cb 0.62 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.75 2roq n GLU 220 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2roq n ALA 221 N -2.66 0.00 -1.00 4.31 0.00 -0.96 -4.76 120.51 115.45 2roq n ALA 221 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2roq n ALA 221 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 0.00 -4.61 0.00 0.00 2.85 -1.26 -2.44 115.26 109.81 2roq n ASN 222 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2roq n ASN 222 Cb 0.00 -2.16 0.00 0.00 1.24 0.00 0.00 39.78 38.86 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 -0.78 0.96 3.15 8.20 0.00 -1.26 -5.08 105.19 110.39 2roq n GLY 223 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 2.45 -0.11 0.99 1.43 -1.02 -3.82 118.68 118.60 2roq s LEU 224 Ca 0.00 -0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 52.10 2roq s LEU 224 Cb 0.00 -0.11 -0.05 0.00 0.03 0.00 0.00 46.19 46.06 2roq s LEU 224 CO 0.00 -0.40 0.21 -0.62 0.23 0.00 0.00 176.35 175.77 2roq s ASP 225 N -2.72 6.45 0.00 2.29 2.15 -1.26 -2.26 116.67 121.32 2roq s ASP 225 Ca 0.07 0.53 0.15 0.00 0.43 0.00 0.00 52.55 53.73 2roq s ASP 225 Cb 0.02 -2.12 0.74 0.00 -0.30 0.00 0.00 42.92 41.25 2roq s ASP 225 CO -0.03 0.33 1.41 -0.81 -0.17 0.00 0.00 175.17 175.90 2roq n PRO 226 N 2.35 0.19 -0.04 4.34 -0.04 -1.26 -2.20 135.00 138.35 2roq n PRO 226 Ca -0.17 0.15 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 2roq n PRO 226 Cb 0.54 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.30 0.67 0.08 0.54 1.02 -1.26 -4.08 120.64 116.30 2roq n GLU 227 Ca 0.07 -0.13 -0.06 0.00 -0.02 0.00 0.00 57.16 57.01 2roq n GLU 227 Cb 0.12 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 2roq n GLU 227 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2roq h VAL 228 N 0.00 1.62 -0.04 2.62 3.04 -1.86 -2.64 116.25 118.99 2roq h VAL 228 Ca -0.17 -3.03 -0.17 0.00 -1.01 0.00 0.00 66.70 62.32 2roq h VAL 228 Cb 1.40 2.65 -0.01 0.00 -2.01 0.00 0.00 31.29 33.32 2roq h VAL 228 CO 0.01 0.87 -0.71 -0.07 -1.01 0.00 0.00 177.57 176.66 2roq h LEU 229 N 0.02 0.28 0.00 3.16 3.38 -1.73 -2.11 115.31 118.30 2roq h LEU 229 Ca -0.02 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 2roq h LEU 229 Cb 1.60 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2roq h LEU 229 CO 0.12 0.90 -0.42 0.00 0.09 0.00 0.00 178.44 179.13 2roq h ALA 230 N 1.09 0.73 0.12 1.53 0.00 -1.70 -2.13 119.26 118.90 2roq h ALA 230 Ca -0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 2roq h ALA 230 Cb 1.27 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.01 2roq h ALA 230 CO 0.11 0.52 -0.76 0.93 0.00 0.00 0.00 179.25 180.05 2roq h GLU 231 N 0.00 0.31 -0.05 0.00 3.07 -1.38 -2.10 114.58 114.42 2roq h GLU 231 Ca -0.00 -0.49 -0.18 0.00 -0.50 0.00 0.00 59.36 58.19 2roq h GLU 231 Cb 1.32 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 29.40 2roq h GLU 231 CO 0.05 1.22 -0.74 -0.84 -1.40 0.00 0.00 179.01 177.30 2roq h ILE 232 N -0.35 1.41 -0.13 3.13 3.07 -1.48 -1.47 117.51 121.69 2roq h ILE 232 Ca -0.13 -2.22 -0.16 0.00 1.55 0.00 0.00 64.86 63.91 2roq h ILE 232 Cb 1.58 2.17 0.01 0.00 -0.27 0.00 0.00 36.82 40.31 2roq h ILE 232 CO 0.14 0.66 -0.53 0.78 -1.05 0.00 0.00 178.15 178.15 2roq h ASN 233 N 0.21 0.69 -0.26 2.16 4.21 -1.50 -2.13 115.58 118.98 2roq h ASN 233 Ca -0.03 -0.62 -0.08 0.00 1.21 0.00 0.00 56.30 56.78 2roq h ASN 233 Cb 1.31 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 38.30 2roq h ASN 233 CO 0.12 1.20 -0.16 0.03 -1.29 0.00 0.00 177.43 177.33 2roq h ARG 234 N 0.23 0.57 0.00 0.81 3.08 -1.41 -1.98 114.38 115.68 2roq h ARG 234 Ca -0.03 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 2roq h ARG 234 Cb 1.16 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2roq h ARG 234 CO 0.11 0.84 -0.18 0.93 -1.07 0.00 0.00 179.97 180.60 2roq h GLU 235 N 0.29 0.00 0.07 0.04 3.07 -1.33 0.30 114.58 117.01 2roq h GLU 235 Ca 0.05 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.68 2roq h GLU 235 Cb 0.69 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.62 2roq h GLU 235 CO 0.05 0.18 -0.94 -0.09 -1.40 0.00 0.00 179.01 176.80 2roq h ARG 236 N 0.00 0.52 0.00 2.33 2.43 -1.19 -1.70 114.38 116.77 2roq h ARG 236 Ca -0.00 -0.65 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 2roq h ARG 236 Cb 0.43 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2roq h ARG 236 CO 0.02 1.27 -0.25 1.49 -1.51 0.00 0.00 179.97 180.99 2roq h GLU 237 N 0.08 0.00 0.00 0.20 4.22 -1.10 -2.12 114.58 115.86 2roq h GLU 237 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.30 2roq h GLU 237 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2roq h GLU 237 CO 0.18 0.00 -1.17 0.00 -2.18 0.00 0.00 179.01 175.84 2roq n ALA 238 N -1.93 2.71 -0.07 2.92 0.00 0.10 -3.51 120.51 120.73 2roq n ALA 238 Ca 0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 2roq n ALA 238 Cb 0.48 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.48 0.14 -0.27 0.00 7.35 -0.64 -3.81 117.46 117.76 2roq n PHE 239 Ca -0.00 0.06 0.02 0.00 -0.76 0.00 0.00 57.45 56.76 2roq n PHE 239 Cb 0.53 -0.46 0.14 0.00 0.35 0.00 0.00 39.48 40.05 2roq n PHE 239 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2roq h LEU 240 N -0.82 0.59 0.00 -2.13 3.38 -1.59 0.26 115.31 115.00 2roq h LEU 240 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2roq h LEU 240 Cb 0.75 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2roq h LEU 240 CO 0.00 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.88 2roq n ALA 241 N -2.38 2.27 -1.02 1.53 0.00 -1.23 -2.78 120.51 116.90 2roq n ALA 241 Ca 0.12 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2roq n ALA 241 Cb 0.25 -1.40 0.32 0.00 0.00 0.00 0.00 19.45 18.63 2roq n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 242 N -1.23 4.03 0.04 0.00 0.00 0.91 -4.58 120.51 119.68 2roq n ALA 242 Ca 0.13 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.31 2roq n ALA 242 Cb 0.17 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.05 0.00 -3.25 0.00 -0.06 -1.12 -5.00 117.38 107.91 2roq n GLN 243 Ca 0.32 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.36 2roq n GLN 243 Cb 1.21 -0.31 -0.04 0.00 -4.06 0.00 0.00 30.24 27.04 2roq n GLN 243 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2roq s GLN 244 N -1.66 0.12 -0.52 3.69 2.00 -1.25 -5.08 119.66 116.96 2roq s GLN 244 Ca 0.00 0.31 -0.31 0.00 -2.00 0.00 0.00 55.36 53.36 2roq s GLN 244 Cb 0.00 0.18 -0.12 0.00 0.80 0.00 0.00 33.01 33.87 2roq s GLN 244 CO 0.00 -0.05 2.37 0.41 -0.50 0.00 0.00 175.29 177.52 2roq n GLY 245 N 4.75 0.21 2.93 2.59 0.00 -1.26 -4.85 105.19 109.57 2roq n GLY 245 Ca -0.07 0.89 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 2roq n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2roq s SER 246 N 9.23 -0.03 -0.48 1.61 1.04 -1.26 -4.96 113.70 118.85 2roq s SER 246 Ca 1.11 -1.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 2roq s SER 246 Cb -0.71 1.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 2roq s SER 246 CO 0.41 -0.21 0.42 0.41 0.98 0.00 0.00 173.24 175.25 2roq n THR 247 N 4.19 -4.64 1.21 2.02 -1.04 -1.26 -4.79 114.28 109.97 2roq n THR 247 Ca 0.12 -0.60 0.12 0.00 -2.04 0.00 0.00 64.05 61.65 2roq n THR 247 Cb 0.50 -4.57 0.62 0.00 -1.82 0.00 0.00 70.33 65.07 2roq n THR 247 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2roq n SER 248 N -2.27 0.00 -0.05 8.00 3.41 -1.26 -2.34 113.62 119.11 2roq n SER 248 Ca -0.03 -0.24 -0.05 0.00 -0.26 0.00 0.00 58.87 58.29 2roq n SER 248 Cb 0.55 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2roq n SER 248 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2roq n THR 249 N -1.21 0.87 0.31 6.66 -1.04 -1.26 -4.02 114.28 114.59 2roq n THR 249 Ca 0.13 0.30 -0.17 0.00 -2.04 0.00 0.00 64.05 62.27 2roq n THR 249 Cb 0.16 -2.00 -0.09 0.00 -1.82 0.00 0.00 70.33 66.58 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 -0.58 -0.72 0.06 -2.82 4.57 -1.97 -0.54 114.58 112.58 2roq h GLU 250 Ca 0.00 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2roq h GLU 250 Cb 0.54 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.24 2roq h GLU 250 CO 0.00 -0.48 -0.52 1.25 -1.18 0.00 0.00 179.01 178.08 2roq h LEU 251 N -0.75 -1.57 -0.62 1.64 7.12 -1.75 -1.89 115.31 117.49 2roq h LEU 251 Ca -0.07 0.17 0.12 0.00 0.13 0.00 0.00 57.88 58.23 2roq h LEU 251 Cb 0.58 0.59 -0.10 0.00 -0.53 0.00 0.00 40.66 41.21 2roq h LEU 251 CO 0.11 -0.53 0.07 -0.26 -0.13 0.00 0.00 178.44 177.71 2roq h PHE 252 N -0.70 0.10 -0.97 1.25 -1.00 -1.69 0.11 116.94 114.04 2roq h PHE 252 Ca 0.00 0.04 0.22 0.00 2.81 0.00 0.00 57.97 61.04 2roq h PHE 252 Cb 0.72 0.05 -0.08 0.00 3.61 0.00 0.00 35.95 40.25 2roq h PHE 252 CO -0.48 -0.10 0.63 1.15 -1.61 0.00 0.00 178.31 177.90 2roq h THR 253 N 0.19 0.63 -0.11 -1.55 2.02 -0.34 0.42 112.91 114.17 2roq h THR 253 Ca 0.33 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 2roq h THR 253 Cb 0.52 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2roq h THR 253 CO -0.47 0.09 -0.37 0.74 0.37 0.00 0.00 175.52 175.88 2roq h THR 254 N 0.48 1.38 0.65 3.16 2.02 -0.10 -2.13 112.91 118.38 2roq h THR 254 Ca 0.54 -1.70 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 2roq h THR 254 Cb 1.22 2.15 0.01 0.00 -1.74 0.00 0.00 68.15 69.79 2roq h THR 254 CO -0.26 0.50 -0.31 0.40 0.37 0.00 0.00 175.52 176.22 2roq h ILE 255 N 0.03 0.35 -0.68 3.11 1.08 -0.40 0.15 117.51 121.14 2roq h ILE 255 Ca -0.01 -0.05 0.06 0.00 -0.39 0.00 0.00 64.86 64.47 2roq h ILE 255 Cb 1.00 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.07 2roq h ILE 255 CO 0.08 0.01 0.45 1.05 -0.69 0.00 0.00 178.15 179.04 2roq h GLU 256 N -0.91 0.68 -0.13 2.37 -0.00 -1.10 0.23 114.58 115.72 2roq h GLU 256 Ca -0.09 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.36 59.17 2roq h GLU 256 Cb 0.68 -0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 29.28 2roq h GLU 256 CO 0.15 0.45 -0.14 0.78 -0.00 0.00 0.00 179.01 180.24 2roq h GLY 257 N 0.70 0.34 0.56 1.06 0.00 -1.11 -2.12 103.07 102.50 2roq h GLY 257 Ca 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2roq h GLY 257 CO -0.09 0.33 -0.09 -0.57 0.00 0.00 0.00 176.54 176.11 2roq h ASN 258 N -0.08 -0.22 -0.85 0.19 -1.24 -0.27 -2.12 115.58 110.99 2roq h ASN 258 Ca 0.02 -0.29 0.16 0.00 0.71 0.00 0.00 56.30 56.90 2roq h ASN 258 Cb 0.68 0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.72 2roq h ASN 258 CO 0.03 0.21 0.56 0.22 -1.29 0.00 0.00 177.43 177.17 2roq h TYR 259 N -0.71 0.67 -0.35 0.67 5.03 -0.67 0.63 116.97 122.24 2roq h TYR 259 Ca -0.03 0.02 -0.17 0.00 2.58 0.00 0.00 58.73 61.14 2roq h TYR 259 Cb 0.49 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.56 2roq h TYR 259 CO 0.05 0.23 -0.44 0.00 -1.32 0.00 0.00 178.16 176.69 2roq h ALA 260 N 1.62 0.55 -0.30 1.82 0.00 -1.33 -1.76 119.26 119.85 2roq h ALA 260 Ca 0.43 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2roq h ALA 260 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2roq h ALA 260 CO -0.18 0.68 -0.33 -0.44 0.00 0.00 0.00 179.25 178.98 2roq h ASP 261 N 0.73 0.68 -0.19 0.00 3.32 -0.37 -0.93 116.42 119.66 2roq h ASP 261 Ca 0.05 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 2roq h ASP 261 Cb 1.04 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 2roq h ASP 261 CO 0.10 0.95 -0.16 0.00 -1.72 0.00 0.00 179.24 178.41 2roq h ALA 262 N 1.09 0.27 0.00 3.45 0.00 -0.91 0.34 119.26 123.49 2roq h ALA 262 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2roq h ALA 262 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2roq h ALA 262 CO 0.07 0.17 0.00 1.33 0.00 0.00 0.00 179.25 180.82 2roq n VAL 263 N -4.50 0.52 0.07 0.00 0.24 -0.67 -1.55 118.33 112.45 2roq n VAL 263 Ca -0.05 0.08 0.09 0.00 -2.04 0.00 0.00 64.34 62.41 2roq n VAL 263 Cb 0.38 -0.76 -0.13 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.67 0.62 -0.00 7.34 0.63 -0.36 -4.36 116.66 118.85 2roq n ARG 264 Ca 0.05 -0.14 0.10 0.00 -0.92 0.00 0.00 57.85 56.94 2roq n ARG 264 Cb 0.28 -1.40 -0.11 0.00 0.45 0.00 0.00 32.46 31.68 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2roq n LEU 265 N -2.03 0.93 0.16 6.15 -0.00 0.12 -4.21 117.00 118.11 2roq n LEU 265 Ca -0.03 -0.45 0.12 0.00 -0.00 0.00 0.00 56.01 55.65 2roq n LEU 265 Cb 0.43 -0.01 0.58 0.00 -0.00 0.00 0.00 43.42 44.42 2roq n LEU 265 CO 0.36 0.23 0.85 0.00 -0.00 0.00 0.00 177.39 178.83 2roq n LEU 266 N -1.54 0.61 0.04 1.47 -0.00 -0.59 -0.76 117.00 116.23 2roq n LEU 266 Ca 0.04 0.75 -0.11 0.00 -0.00 0.00 0.00 56.01 56.68 2roq n LEU 266 Cb 0.34 -0.78 -0.13 0.00 -0.00 0.00 0.00 43.42 42.85 2roq n LEU 266 CO 0.43 -0.87 -0.20 0.00 -0.00 0.00 0.00 177.39 176.75 2roq h THR 267 N 0.00 1.29 0.00 1.47 1.03 -1.86 -3.34 112.91 111.51 2roq h THR 267 Ca 0.00 -3.00 -0.05 0.00 -0.01 0.00 0.00 66.41 63.35 2roq h THR 267 Cb 0.09 2.72 -0.01 0.00 -1.07 0.00 0.00 68.15 69.88 2roq h THR 267 CO 0.00 0.80 -1.28 0.41 -0.01 0.00 0.00 175.52 175.44 2roq n THR 268 N -3.33 0.69 -0.74 0.00 -1.04 -0.51 -4.95 114.28 104.40 2roq n THR 268 Ca -0.10 -0.59 -0.32 0.00 -2.04 0.00 0.00 64.05 61.00 2roq n THR 268 Cb 1.01 -0.39 0.14 0.00 -1.82 0.00 0.00 70.33 69.27 2roq n THR 268 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roq n ALA 269 N -2.26 -1.83 -2.27 2.41 0.00 0.06 -5.04 120.51 111.58 2roq n ALA 269 Ca -0.04 -0.59 -0.15 0.00 0.00 0.00 0.00 53.44 52.67 2roq n ALA 269 Cb 0.64 -1.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.50 1.33 0.10 0.00 2.46 -1.26 -5.02 115.29 110.40 2roq s HIS 270 Ca 0.61 -0.84 -0.14 0.00 0.47 0.00 0.00 55.06 55.16 2roq s HIS 270 Cb -0.22 -0.72 0.03 0.00 -0.13 0.00 0.00 32.58 31.54 2roq s HIS 270 CO 0.63 0.01 0.35 -1.12 -2.47 0.00 0.00 174.74 172.14 2roq s SER 271 N -3.20 -0.15 -0.02 9.88 0.01 -1.26 -4.63 113.70 114.33 2roq s SER 271 Ca 0.21 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2roq s SER 271 Cb 0.04 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.71 2roq s SER 271 CO 0.03 -0.78 -0.01 -0.69 0.41 0.00 0.00 173.24 172.20 2roq s VAL 272 N -3.56 0.19 0.69 3.43 1.01 -1.25 -4.83 120.40 116.07 2roq s VAL 272 Ca 0.02 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 2roq s VAL 272 Cb 0.02 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.18 2roq s VAL 272 CO -0.10 0.11 1.11 -2.16 0.00 0.00 0.00 175.10 174.06 2roq s PRO 273 N 0.64 2.65 0.03 2.72 0.04 -1.26 -3.92 135.00 135.90 2roq s PRO 273 Ca -0.06 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.33 2roq s PRO 273 Cb -0.09 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2roq s PRO 273 CO -0.01 -1.36 -0.07 -0.59 0.04 0.00 0.00 177.00 175.01 2roq s PHE 274 N -2.49 0.56 -1.22 0.56 -0.71 -1.26 -4.69 117.98 108.73 2roq s PHE 274 Ca 0.65 -0.45 -0.12 0.00 -1.04 0.00 0.00 56.93 55.97 2roq s PHE 274 Cb -0.20 -0.34 0.18 0.00 -1.21 0.00 0.00 43.02 41.45 2roq s PHE 274 CO 0.45 -0.09 1.54 -0.25 -1.34 0.00 0.00 175.22 175.53 2roq n ASP 275 N 1.68 5.23 0.00 1.98 8.00 -1.26 -3.42 116.55 128.75 2roq n ASP 275 Ca -0.22 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.26 2roq n ASP 275 Cb 0.55 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2roq n GLY 276 N 3.64 4.56 2.94 0.44 0.00 -1.26 -5.00 105.19 110.50 2roq n GLY 276 Ca 0.37 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 1.84 1.19 0.18 1.61 2.36 -1.26 -3.85 119.74 121.81 2roq s LYS 277 Ca 0.00 -0.22 -0.20 0.00 -2.55 0.00 0.00 55.97 53.00 2roq s LYS 277 Cb 0.00 -1.11 0.05 0.00 -1.05 0.00 0.00 37.83 35.72 2roq s LYS 277 CO 0.00 -0.07 0.57 0.00 1.55 0.00 0.00 175.35 177.40 2roq s ALA 278 N 0.94 -1.31 -0.03 3.13 0.00 -1.22 -3.50 121.76 119.77 2roq s ALA 278 Ca -0.10 0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 2roq s ALA 278 Cb -0.15 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 2roq s ALA 278 CO 0.01 -0.79 0.23 0.99 0.00 0.00 0.00 175.76 176.19 2roq s THR 279 N -3.81 5.36 -0.15 0.00 2.01 -0.86 -3.45 115.64 114.75 2roq s THR 279 Ca 0.04 0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 2roq s THR 279 Cb -0.01 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 69.02 2roq s THR 279 CO -0.08 0.44 0.02 -0.22 -0.69 0.00 0.00 174.62 174.09 2roq s LEU 280 N -1.56 0.98 0.29 4.42 2.96 -1.23 -2.45 118.68 122.09 2roq s LEU 280 Ca 0.24 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2roq s LEU 280 Cb -0.13 -0.55 -0.06 0.00 0.50 0.00 0.00 46.19 45.95 2roq s LEU 280 CO 0.13 -0.26 0.58 0.12 -1.32 0.00 0.00 176.35 175.60 2roq s PHE 281 N 1.89 3.47 0.02 5.38 5.36 -0.77 -3.41 117.98 129.92 2roq s PHE 281 Ca 0.01 0.74 0.08 0.00 -0.96 0.00 0.00 56.93 56.80 2roq s PHE 281 Cb -0.15 -2.18 -0.02 0.00 -0.34 0.00 0.00 43.02 40.33 2roq s PHE 281 CO -0.07 0.15 -0.23 0.14 -1.46 0.00 0.00 175.22 173.75 2roq s VAL 282 N -2.07 1.85 -1.21 3.12 -7.23 -1.18 -2.40 120.40 111.27 2roq s VAL 282 Ca 0.45 -1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 59.34 2roq s VAL 282 Cb -0.11 -1.57 0.17 0.00 0.56 0.00 0.00 36.38 35.44 2roq s VAL 282 CO 0.29 0.39 1.45 0.00 -0.31 0.00 0.00 175.10 176.91 2roq n ALA 283 N 2.13 3.93 0.27 1.32 0.00 -1.10 -3.55 120.51 123.51 2roq n ALA 283 Ca -0.16 -4.25 0.17 0.00 0.00 0.00 0.00 53.44 49.19 2roq n ALA 283 Cb 0.52 -3.05 0.86 0.00 0.00 0.00 0.00 19.45 17.79 2roq n ALA 283 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2roq h GLU 284 N 7.08 0.00 -0.07 0.00 4.81 -1.64 -1.81 114.58 122.95 2roq h GLU 284 Ca 0.32 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.57 2roq h GLU 284 Cb 0.86 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 2roq h GLU 284 CO 1.26 0.00 0.05 0.00 -0.73 0.00 0.00 179.01 179.59 2roq h ARG 285 N 0.00 0.00 0.00 1.92 3.08 -1.82 -2.91 114.38 114.65 2roq h ARG 285 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2roq h ARG 285 Cb 0.09 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.01 2roq h ARG 285 CO 0.00 0.00 -0.59 0.25 -1.07 0.00 0.00 179.97 178.56 2roq n THR 286 N -4.48 0.58 -1.66 2.04 -2.24 -0.75 -5.00 114.28 102.78 2roq n THR 286 Ca -0.01 -1.08 -0.44 0.00 -2.27 0.00 0.00 64.05 60.25 2roq n THR 286 Cb 0.16 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 2roq n THR 286 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2roq n LEU 287 N -0.21 3.91 -2.24 3.22 4.77 -0.81 -4.79 117.00 120.85 2roq n LEU 287 Ca 0.07 0.85 -0.03 0.00 -0.03 0.00 0.00 56.01 56.87 2roq n LEU 287 Cb 0.83 -1.49 0.08 0.00 -2.33 0.00 0.00 43.42 40.51 2roq n LEU 287 CO -0.02 0.06 0.56 1.67 -1.33 0.00 0.00 177.39 178.34 2roq n GLN 288 N 7.46 1.01 -0.49 3.23 7.27 -1.26 -4.94 117.38 129.66 2roq n GLN 288 Ca 0.22 -1.17 0.05 0.00 0.07 0.00 0.00 57.00 56.17 2roq n GLN 288 Cb 0.38 0.44 0.20 0.00 2.41 0.00 0.00 30.24 33.67 2roq n GLN 288 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2roq n GLU 289 N -1.15 1.78 -1.73 3.69 4.07 -1.26 -4.94 120.64 121.10 2roq n GLU 289 Ca -0.20 -3.01 -0.20 0.00 -0.06 0.00 0.00 57.16 53.69 2roq n GLU 289 Cb 0.83 -1.67 -0.07 0.00 -0.06 0.00 0.00 31.44 30.47 2roq n GLU 289 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2roq n GLY 290 N -1.12 1.48 3.60 8.31 0.00 -1.26 -4.69 105.19 111.51 2roq n GLY 290 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.93 3.11 -0.35 1.61 0.00 -1.26 -4.77 119.30 113.70 2roq s MET 291 Ca 0.00 1.84 -0.00 0.00 0.00 0.00 0.00 55.69 57.53 2roq s MET 291 Cb 0.00 -4.35 0.28 0.00 0.00 0.00 0.00 34.83 30.76 2roq s MET 291 CO 0.00 -2.13 1.22 0.45 0.00 0.00 0.00 175.02 174.56 2roq n SER 292 N 11.65 -1.49 -4.09 1.11 2.88 -1.26 -5.09 113.62 117.32 2roq n SER 292 Ca 0.29 -2.01 -0.30 0.00 -1.33 0.00 0.00 58.87 55.52 2roq n SER 292 Cb 0.46 0.93 0.22 0.00 -0.75 0.00 0.00 64.21 65.07 2roq n SER 292 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2roq s PRO 293 N 0.17 -0.73 -0.36 -1.46 0.04 -1.26 -5.03 135.00 126.36 2roq s PRO 293 Ca 0.26 0.11 0.14 0.00 0.04 0.00 0.00 61.00 61.55 2roq s PRO 293 Cb 0.22 -1.64 0.40 0.00 0.04 0.00 0.00 34.50 33.52 2roq s PRO 293 CO -0.12 -3.42 0.84 -0.85 0.04 0.00 0.00 177.00 173.49 2roq n GLU 294 N -4.59 1.23 -2.93 4.56 0.28 -1.26 -4.97 120.64 112.96 2roq n GLU 294 Ca 0.10 -3.43 -0.10 0.00 -0.16 0.00 0.00 57.16 53.58 2roq n GLU 294 Cb 0.59 -1.56 0.04 0.00 1.43 0.00 0.00 31.44 31.94 2roq n GLU 294 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2roq n ARG 295 N 0.09 -1.70 -4.32 3.44 5.12 -1.26 -5.04 116.66 112.99 2roq n ARG 295 Ca 0.19 0.88 -0.30 0.00 -1.93 0.00 0.00 57.85 56.69 2roq n ARG 295 Cb 0.71 -5.13 -0.11 0.00 -1.16 0.00 0.00 32.46 26.78 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2roq s ALA 296 N -3.25 2.84 0.26 7.54 0.00 -1.26 -5.13 121.76 122.76 2roq s ALA 296 Ca 0.29 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 2roq s ALA 296 Cb -0.04 -0.83 -0.08 0.00 0.00 0.00 0.00 23.12 22.18 2roq s ALA 296 CO 0.62 0.62 0.60 -1.58 0.00 0.00 0.00 175.76 176.02 2roq s TRP 297 N -1.14 3.41 0.13 0.00 0.52 -1.26 -5.09 118.94 115.51 2roq s TRP 297 Ca 0.19 0.98 -0.16 0.00 0.02 0.00 0.00 56.10 57.13 2roq s TRP 297 Cb -0.11 -2.34 0.03 0.00 -1.15 0.00 0.00 33.47 29.90 2roq s TRP 297 CO 0.11 0.22 0.40 -1.12 0.02 0.00 0.00 176.95 176.58 2roq s SER 298 N -2.32 -0.22 0.46 2.95 0.01 -1.26 -5.04 113.70 108.28 2roq s SER 298 Ca 0.49 -0.36 0.31 0.00 1.31 0.00 0.00 55.95 57.70 2roq s SER 298 Cb -0.11 0.48 1.28 0.00 0.21 0.00 0.00 66.02 67.87 2roq s SER 298 CO 0.20 -0.87 1.91 1.55 0.41 0.00 0.00 173.24 176.44 2roq h PRO 299 N 2.37 0.00 -5.64 12.44 0.13 -2.01 -3.40 132.00 135.90 2roq h PRO 299 Ca -0.34 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.15 2roq h PRO 299 Cb 1.25 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 2roq h PRO 299 CO 0.46 0.00 1.22 -1.58 -0.23 0.00 0.00 178.00 177.87 2roq s TRP 300 N -3.57 2.79 0.41 1.56 0.51 -1.26 -4.51 118.94 114.86 2roq s TRP 300 Ca 0.02 -1.09 0.00 0.00 -2.12 0.00 0.00 56.10 52.91 2roq s TRP 300 Cb 0.09 -4.52 0.00 0.00 -0.81 0.00 0.00 33.47 28.23 2roq s TRP 300 CO 0.49 -1.74 0.00 -0.89 -0.51 0.00 0.00 176.95 174.29 2roq n ILE 301 N 6.28 -3.37 -0.01 2.03 5.41 -1.22 -4.92 119.36 123.56 2roq n ILE 301 Ca 0.29 1.50 0.05 0.00 1.00 0.00 0.00 62.75 65.59 2roq n ILE 301 Cb 0.50 -2.19 -0.08 0.00 -0.71 0.00 0.00 39.64 37.16 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2roq n ALA 302 N -1.48 2.39 -3.66 -1.39 0.00 -1.26 -4.66 120.51 110.44 2roq n ALA 302 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 2roq n ALA 302 Cb 0.14 -0.36 -0.17 0.00 0.00 0.00 0.00 19.45 19.06 2roq n ALA 302 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2roq s GLU 303 N -2.74 -0.01 0.27 0.00 2.02 -1.25 -5.08 118.70 111.92 2roq s GLU 303 Ca -0.04 0.45 -0.21 0.00 0.02 0.00 0.00 54.97 55.20 2roq s GLU 303 Cb 0.07 -0.46 0.02 0.00 0.10 0.00 0.00 34.13 33.86 2roq s GLU 303 CO 0.45 -0.34 0.70 -0.48 0.02 0.00 0.00 175.26 175.60 2roq s LEU 304 N 2.24 -0.23 -0.34 1.80 0.05 -1.26 -3.45 118.68 117.48 2roq s LEU 304 Ca 0.04 -0.60 0.01 0.00 0.05 0.00 0.00 54.13 53.63 2roq s LEU 304 Cb -0.12 2.66 0.10 0.00 -2.05 0.00 0.00 46.19 46.78 2roq s LEU 304 CO -0.05 -1.32 0.10 -1.81 -0.55 0.00 0.00 176.35 172.73 2roq s ASP 305 N -2.92 4.24 0.02 1.48 1.01 -1.22 -5.02 116.67 114.25 2roq s ASP 305 Ca 0.11 -1.95 -0.17 0.00 0.71 0.00 0.00 52.55 51.25 2roq s ASP 305 Cb -0.05 -1.15 -0.06 0.00 1.01 0.00 0.00 42.92 42.67 2roq s ASP 305 CO 0.06 -0.38 0.49 -0.63 0.21 0.00 0.00 175.17 174.92 2roq s ILE 306 N 1.20 4.92 -0.09 0.77 1.01 -1.26 -3.55 121.20 124.20 2roq s ILE 306 Ca 0.11 1.02 0.02 0.00 0.00 0.00 0.00 60.65 61.81 2roq s ILE 306 Cb -0.19 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.49 2roq s ILE 306 CO -0.16 0.54 -0.16 -0.47 0.00 0.00 0.00 174.94 174.69 2roq s TYR 307 N -0.87 1.91 -0.35 3.97 6.14 -1.22 -5.02 117.35 121.91 2roq s TYR 307 Ca 0.26 -0.83 -0.23 0.00 0.64 0.00 0.00 57.07 56.91 2roq s TYR 307 Cb -0.18 -1.37 0.01 0.00 0.42 0.00 0.00 41.96 40.84 2roq s TYR 307 CO 0.15 -0.41 0.80 1.03 0.64 0.00 0.00 175.55 177.76 2roq s ARG 308 N 0.80 3.82 -0.13 4.97 0.52 -1.26 -3.09 118.95 124.58 2roq s ARG 308 Ca -0.11 0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 55.41 2roq s ARG 308 Cb -0.16 -3.79 0.04 0.00 0.52 0.00 0.00 34.95 31.57 2roq s ARG 308 CO 0.02 -0.81 0.33 -1.14 0.02 0.00 0.00 175.30 173.71 2roq s GLN 309 N 3.09 0.35 -0.81 3.54 0.74 -1.23 -5.00 119.66 120.34 2roq s GLN 309 Ca 0.32 0.52 -0.25 0.00 0.05 0.00 0.00 55.36 56.00 2roq s GLN 309 Cb -0.13 0.10 -0.05 0.00 1.10 0.00 0.00 33.01 34.03 2roq s GLN 309 CO 0.16 -0.08 1.99 0.16 -0.55 0.00 0.00 175.29 176.97 2roq s ASP 310 N 0.55 5.02 -0.19 6.67 1.47 -1.26 -2.07 116.67 126.86 2roq s ASP 310 Ca -0.03 -0.30 -0.07 0.00 1.18 0.00 0.00 52.55 53.33 2roq s ASP 310 Cb -0.05 -2.55 0.09 0.00 -0.34 0.00 0.00 42.92 40.07 2roq s ASP 310 CO -0.03 -2.78 0.41 0.00 0.68 0.00 0.00 175.17 173.45 2roq s ALA 312 N 2.53 3.02 -0.33 0.00 0.00 -1.26 -4.09 121.76 121.64 2roq s ALA 312 Ca -0.02 -0.50 0.21 0.00 0.00 0.00 0.00 51.96 51.65 2roq s ALA 312 Cb -0.12 -2.87 1.06 0.00 0.00 0.00 0.00 23.12 21.20 2roq s ALA 312 CO -0.12 -1.07 1.65 -2.39 0.00 0.00 0.00 175.76 173.82 2roq n HIS 313 N -2.89 0.72 -0.03 0.00 1.44 -1.26 -0.22 115.22 112.99 2roq n HIS 313 Ca 0.06 0.35 -0.14 0.00 -2.01 0.00 0.00 57.72 55.98 2roq n HIS 313 Cb 0.58 -1.05 -0.14 0.00 0.12 0.00 0.00 29.99 29.49 2roq n HIS 313 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2roq n VAL 314 N -2.22 1.64 1.19 0.61 0.31 -1.26 -3.97 118.33 114.63 2roq n VAL 314 Ca -0.00 -0.74 0.12 0.00 -0.01 0.00 0.00 64.34 63.72 2roq n VAL 314 Cb 0.10 -1.26 0.29 0.00 -0.91 0.00 0.00 33.84 32.05 2roq n VAL 314 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2roq n ASP 315 N -3.19 1.25 0.07 4.52 9.92 -0.73 -3.80 116.55 124.59 2roq n ASP 315 Ca -0.26 -1.03 0.04 0.00 -0.53 0.00 0.00 54.79 53.00 2roq n ASP 315 Cb 1.06 0.22 -0.04 0.00 -0.64 0.00 0.00 41.12 41.72 2roq n ASP 315 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2roq h ILE 316 N 1.47 0.42 -0.00 0.53 6.09 -0.75 -3.32 117.51 121.95 2roq h ILE 316 Ca 0.00 -1.75 0.00 0.00 -1.37 0.00 0.00 64.86 61.74 2roq h ILE 316 Cb 0.56 1.97 0.00 0.00 0.47 0.00 0.00 36.82 39.82 2roq h ILE 316 CO 0.00 0.24 -0.68 0.00 -3.07 0.00 0.00 178.15 174.64 2roq n ILE 317 N -2.90 0.00 -1.30 2.19 0.00 -1.25 -4.69 119.36 111.41 2roq n ILE 317 Ca -0.05 -0.03 -0.30 0.00 0.00 0.00 0.00 62.75 62.37 2roq n ILE 317 Cb 0.74 0.62 0.11 0.00 0.00 0.00 0.00 39.64 41.12 2roq n ILE 317 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2roq s SER 318 N -2.93 4.09 0.00 9.51 1.04 -1.25 -4.91 113.70 119.26 2roq s SER 318 Ca 0.11 1.58 0.15 0.00 0.48 0.00 0.00 55.95 58.28 2roq s SER 318 Cb 0.17 -2.29 0.80 0.00 0.10 0.00 0.00 66.02 64.80 2roq s SER 318 CO 0.75 -2.26 1.39 -0.81 0.98 0.00 0.00 173.24 173.28 2roq n PRO 319 N -3.65 0.29 -0.04 4.02 -0.04 -1.26 -3.31 135.00 131.01 2roq n PRO 319 Ca 0.08 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2roq n PRO 319 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.05 2.00 0.55 0.00 -1.91 -2.99 103.07 103.12 2roq h GLY 320 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2roq h GLY 320 CO 0.00 -0.02 -0.30 -0.84 0.00 0.00 0.00 176.54 175.38 2roq h THR 321 N -0.96 1.20 -0.16 4.70 2.02 -1.73 -2.10 112.91 115.89 2roq h THR 321 Ca -0.00 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 2roq h THR 321 Cb 0.60 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2roq h THR 321 CO 0.01 0.30 -0.01 -0.26 0.37 0.00 0.00 175.52 175.93 2roq h PHE 322 N 0.00 0.31 0.00 3.16 -1.00 -1.67 -2.09 116.94 115.66 2roq h PHE 322 Ca -0.00 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.66 2roq h PHE 322 Cb 0.54 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 2roq h PHE 322 CO 0.00 0.52 -0.27 1.05 -1.61 0.00 0.00 178.31 177.99 2roq h GLU 323 N 0.02 0.00 -0.24 1.51 4.11 -1.36 -2.93 114.58 115.68 2roq h GLU 323 Ca 0.04 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.29 2roq h GLU 323 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2roq h GLU 323 CO 0.01 0.27 -0.59 -0.22 0.07 0.00 0.00 179.01 178.55 2roq h LYS 324 N 0.00 0.79 -2.49 1.06 3.64 -1.18 -3.31 116.57 115.08 2roq h LYS 324 Ca -0.00 -0.53 -0.80 0.00 -1.27 0.00 0.00 60.65 58.05 2roq h LYS 324 Cb 0.67 0.07 -0.25 0.00 -0.41 0.00 0.00 32.23 32.31 2roq h LYS 324 CO 0.04 1.15 1.20 0.44 -2.27 0.00 0.00 179.45 180.01 2roq n ILE 325 N -3.98 5.78 0.00 2.00 -5.35 -0.80 -4.73 119.36 112.27 2roq n ILE 325 Ca -0.05 -5.71 0.00 0.00 -0.27 0.00 0.00 62.75 56.73 2roq n ILE 325 Cb 0.65 -1.76 0.00 0.00 -1.74 0.00 0.00 39.64 36.78 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 0.58 -0.53 0.00 3.28 0.00 -1.25 -3.73 105.19 103.55 2roq n GLY 326 Ca 0.44 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.27 0.13 -0.02 1.61 -0.04 -1.26 -1.48 135.00 131.67 2roq n PRO 327 Ca 0.00 0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.60 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 0.44 -0.04 0.00 0.00 175.50 175.90 2roq n ILE 328 N -1.37 1.33 -0.05 0.52 -6.64 -1.26 -3.25 119.36 108.64 2roq n ILE 328 Ca 0.06 -0.76 -0.09 0.00 -1.77 0.00 0.00 62.75 60.19 2roq n ILE 328 Cb 0.14 -0.76 -0.15 0.00 -1.44 0.00 0.00 39.64 37.43 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 -2.89 1.53 0.07 7.28 3.06 -0.99 -3.11 119.36 124.31 2roq n ILE 329 Ca -0.17 -0.82 -0.18 0.00 -2.50 0.00 0.00 62.75 59.08 2roq n ILE 329 Cb 0.98 -0.82 -0.09 0.00 0.54 0.00 0.00 39.64 40.25 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 0.52 0.05 9.51 2.43 -1.45 -2.13 114.38 123.32 2roq h ARG 330 Ca -0.39 -0.62 -0.26 0.00 -0.81 0.00 0.00 59.98 57.90 2roq h ARG 330 Cb 2.11 0.19 0.01 0.00 -0.42 0.00 0.00 29.97 31.86 2roq h ARG 330 CO 0.06 1.24 -1.09 0.00 -1.51 0.00 0.00 179.97 178.67 2roq h ALA 331 N 0.53 0.17 -0.28 2.80 0.00 -1.73 -2.12 119.26 118.63 2roq h ALA 331 Ca -0.13 -0.75 -0.15 0.00 0.00 0.00 0.00 54.91 53.88 2roq h ALA 331 Cb 1.74 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2roq h ALA 331 CO 0.20 0.77 -0.45 1.15 0.00 0.00 0.00 179.25 180.92 2roq h THR 332 N 0.26 1.29 0.00 0.00 2.02 -1.63 -1.17 112.91 113.68 2roq h THR 332 Ca -0.13 -1.64 -0.11 0.00 0.77 0.00 0.00 66.41 65.31 2roq h THR 332 Cb 1.75 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.70 2roq h THR 332 CO 0.20 0.53 -0.51 -0.07 0.37 0.00 0.00 175.52 176.03 2roq h LEU 333 N 0.58 0.00 0.00 2.58 3.38 -1.45 -2.11 115.31 118.29 2roq h LEU 333 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2roq h LEU 333 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2roq h LEU 333 CO 0.09 0.51 -0.42 -1.13 0.09 0.00 0.00 178.44 177.59 2roq h ASN 334 N 0.00 0.00 0.54 -0.43 -0.73 -1.24 -2.13 115.58 111.58 2roq h ASN 334 Ca -0.01 -0.03 -0.15 0.00 1.87 0.00 0.00 56.30 57.99 2roq h ASN 334 Cb 1.22 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.79 2roq h ASN 334 CO 0.07 0.01 -1.58 -2.11 -0.37 0.00 0.00 177.43 173.45 2roq n ARG 335 N -2.74 0.63 0.05 6.67 -4.01 -0.45 -4.14 116.66 112.67 2roq n ARG 335 Ca 0.03 0.11 0.10 0.00 -1.04 0.00 0.00 57.85 57.05 2roq n ARG 335 Cb 0.51 -1.73 -0.08 0.00 -3.04 0.00 0.00 32.46 28.12 2roq n ARG 335 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 2roq n LEU 336 N -2.75 0.46 -0.29 2.89 -0.00 -0.80 -4.20 117.00 112.31 2roq n LEU 336 Ca -0.11 0.18 0.25 0.00 -0.00 0.00 0.00 56.01 56.33 2roq n LEU 336 Cb 0.80 -0.01 0.58 0.00 -0.00 0.00 0.00 43.42 44.79 2roq n LEU 336 CO 0.43 -0.07 1.24 1.05 -0.00 0.00 0.00 177.39 180.04 2roq h GLU 337 N 0.00 0.27 -5.26 1.47 4.11 -1.54 -3.47 114.58 110.16 2roq h GLU 337 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2roq h GLU 337 Cb 1.06 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 2roq h GLU 337 CO 0.00 0.18 -1.16 0.72 0.07 0.00 0.00 179.01 178.82 2roq n HIS 338 N -4.48 -3.62 -2.61 2.06 8.25 -1.26 -4.82 115.22 108.74 2roq n HIS 338 Ca 0.23 1.83 0.10 0.00 -0.26 0.00 0.00 57.72 59.63 2roq n HIS 338 Cb 0.92 -3.56 -0.03 0.00 1.12 0.00 0.00 29.99 28.44 2roq n HIS 338 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2roq n HIS 339 N 1.23 -2.83 -2.99 4.41 8.25 -1.26 -4.94 115.22 117.09 2roq n HIS 339 Ca -0.15 0.95 -0.13 0.00 -0.26 0.00 0.00 57.72 58.13 2roq n HIS 339 Cb 0.28 -1.65 0.06 0.00 1.12 0.00 0.00 29.99 29.80 2roq n HIS 339 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2roq n HIS 340 N -3.01 -2.00 0.06 4.41 8.25 -1.26 -4.94 115.22 116.73 2roq n HIS 340 Ca 0.01 0.72 -0.09 0.00 -0.26 0.00 0.00 57.72 58.10 2roq n HIS 340 Cb 0.35 -3.98 -0.12 0.00 1.12 0.00 0.00 29.99 27.35 2roq n HIS 340 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2roq h HIS 341 N -1.02 0.08 0.00 4.41 2.76 -1.97 -3.41 115.15 116.00 2roq h HIS 341 Ca -0.50 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.61 2roq h HIS 341 Cb 1.26 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2roq h HIS 341 CO 0.27 1.05 -0.47 -2.39 -1.30 0.00 0.00 177.93 175.09 2roq n HIS 342 N -3.36 0.00 0.65 5.26 1.44 -1.26 -5.19 115.22 112.76 2roq n HIS 342 Ca -0.02 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.76 2roq n HIS 342 Cb 0.96 0.01 0.06 0.00 0.12 0.00 0.00 29.99 31.15 2roq n HIS 342 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14