#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbq s PRO 9 N 0.00 1.97 -0.14 0.00 0.04 -1.26 -5.04 135.00 130.56 3mbq s PRO 9 Ca 0.00 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3mbq s PRO 9 Cb 0.00 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 3mbq s PRO 9 CO 0.00 -1.81 -0.15 0.99 0.04 0.00 0.00 177.00 176.07 3mbq s THR 10 N -2.92 2.76 -0.30 1.26 2.01 -1.26 -5.09 115.64 112.10 3mbq s THR 10 Ca 0.62 -0.75 -0.15 0.00 0.31 0.00 0.00 61.69 61.72 3mbq s THR 10 Cb -0.17 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3mbq s THR 10 CO 0.56 0.52 0.36 -0.22 -0.69 0.00 0.00 174.62 175.15 3mbq s LEU 11 N 0.64 4.18 0.18 4.42 2.96 -1.26 -4.37 118.68 125.43 3mbq s LEU 11 Ca -0.08 0.07 -0.26 0.00 -0.22 0.00 0.00 54.13 53.63 3mbq s LEU 11 Cb -0.16 -2.37 -0.08 0.00 0.50 0.00 0.00 46.19 44.08 3mbq s LEU 11 CO 0.03 -0.24 0.81 -0.83 -1.32 0.00 0.00 176.35 174.80 3mbq s GLY 12 N 1.69 2.96 -0.07 7.98 0.00 -0.43 -4.94 107.32 114.52 3mbq s GLY 12 Ca 0.13 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.28 3mbq s GLY 12 CO 0.11 0.94 -0.08 -0.42 0.00 0.00 0.00 173.10 173.65 3mbq s ILE 13 N -1.15 0.84 -0.17 0.90 1.01 -1.26 0.20 121.20 121.56 3mbq s ILE 13 Ca 0.37 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 3mbq s ILE 13 Cb -0.24 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 3mbq s ILE 13 CO 0.27 0.30 -0.03 -0.63 0.00 0.00 0.00 174.94 174.86 3mbq s ILE 14 N 1.05 3.86 -0.25 2.92 1.01 0.25 -4.98 121.20 125.06 3mbq s ILE 14 Ca -0.08 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 3mbq s ILE 14 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 3mbq s ILE 14 CO -0.01 0.47 0.31 -0.13 0.00 0.00 0.00 174.94 175.59 3mbq s ARG 15 N 0.62 4.04 0.79 2.79 0.52 -1.26 -0.80 118.95 125.65 3mbq s ARG 15 Ca -0.02 -0.05 -0.10 0.00 -0.52 0.00 0.00 55.73 55.04 3mbq s ARG 15 Cb -0.14 -3.62 0.09 0.00 0.52 0.00 0.00 34.95 31.80 3mbq s ARG 15 CO 0.02 -0.16 1.14 -0.51 0.02 0.00 0.00 175.30 175.80 3mbq s LEU 16 N 1.72 2.64 0.24 2.53 1.43 -0.02 -4.94 118.68 122.28 3mbq s LEU 16 Ca 0.13 0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 53.75 3mbq s LEU 16 Cb -0.15 -3.07 0.24 0.00 0.03 0.00 0.00 46.19 43.24 3mbq s LEU 16 CO 0.09 -1.90 1.81 -0.08 0.23 0.00 0.00 176.35 176.50 3mbq h GLU 17 N -0.96 1.12 0.00 1.70 4.81 -1.98 -1.04 114.58 118.23 3mbq h GLU 17 Ca -0.45 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 3mbq h GLU 17 Cb 1.31 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3mbq h GLU 17 CO 0.60 0.90 0.00 -2.39 -0.73 0.00 0.00 179.01 177.39 3mbq n HIS 18 N -4.29 0.00 1.59 0.92 1.44 -1.26 -1.76 115.22 111.86 3mbq n HIS 18 Ca 0.07 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.92 3mbq n HIS 18 Cb 0.17 -0.10 0.60 0.00 0.12 0.00 0.00 29.99 30.78 3mbq n HIS 18 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mbq n ALA 19 N -1.10 2.59 -1.64 1.59 0.00 -0.39 -4.73 120.51 116.83 3mbq n ALA 19 Ca 0.14 -0.39 -0.64 0.00 0.00 0.00 0.00 53.44 52.55 3mbq n ALA 19 Cb 0.11 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 3mbq n ALA 19 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3mbq n LYS 20 N -0.10 0.01 -0.35 0.00 2.85 -0.72 -0.98 118.16 118.87 3mbq n LYS 20 Ca 0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 3mbq n LYS 20 Cb 0.29 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 3mbq n LYS 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3mbq n GLY 21 N 2.92 1.54 3.81 2.58 0.00 -1.26 -5.04 105.19 109.75 3mbq n GLY 21 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 3mbq n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbq s LEU 22 N 0.00 4.31 0.85 0.99 1.43 -0.15 -5.09 118.68 121.02 3mbq s LEU 22 Ca 0.00 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 3mbq s LEU 22 Cb 0.00 -2.08 0.10 0.00 0.03 0.00 0.00 46.19 44.24 3mbq s LEU 22 CO 0.00 0.30 1.10 -1.81 0.23 0.00 0.00 176.35 176.18 3mbq s ASP 23 N -0.39 3.75 0.65 2.29 1.01 -1.26 -5.01 116.67 117.71 3mbq s ASP 23 Ca 0.12 1.82 -0.17 0.00 0.71 0.00 0.00 52.55 55.03 3mbq s ASP 23 Cb -0.12 -2.45 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 3mbq s ASP 23 CO 0.01 -2.51 1.20 -0.76 0.21 0.00 0.00 175.17 173.32 3mbq s LEU 24 N -6.21 3.51 0.67 1.23 1.43 -1.26 -4.98 118.68 113.07 3mbq s LEU 24 Ca 0.63 2.35 -0.17 0.00 -1.03 0.00 0.00 54.13 55.92 3mbq s LEU 24 Cb -0.19 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.44 3mbq s LEU 24 CO 0.57 -1.85 1.21 -2.16 0.23 0.00 0.00 176.35 174.35 3mbq s PRO 25 N -3.61 2.54 0.04 1.29 0.04 -1.26 -5.03 135.00 129.01 3mbq s PRO 25 Ca 0.76 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 63.35 3mbq s PRO 25 Cb -0.29 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.42 3mbq s PRO 25 CO 0.38 -1.53 0.55 0.00 0.04 0.00 0.00 177.00 176.44 3mbq s ALA 26 N -1.80 -1.41 0.13 8.56 0.00 -1.26 -5.09 121.76 120.88 3mbq s ALA 26 Ca 0.76 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 3mbq s ALA 26 Cb -0.30 0.36 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 3mbq s ALA 26 CO 0.40 -0.50 1.01 0.71 0.00 0.00 0.00 175.76 177.38 3mbq s TYR 27 N -2.34 3.74 0.12 0.00 2.02 -1.26 -4.48 117.35 115.14 3mbq s TYR 27 Ca -0.06 1.72 -0.14 0.00 -0.37 0.00 0.00 57.07 58.23 3mbq s TYR 27 Cb -0.01 -3.13 -0.04 0.00 -0.40 0.00 0.00 41.96 38.38 3mbq s TYR 27 CO -0.01 -0.08 1.50 0.93 -1.57 0.00 0.00 175.55 176.32 3mbq h GLU 28 N 5.51 0.77 -4.68 -0.62 5.08 -1.94 -3.46 114.58 115.24 3mbq h GLU 28 Ca -0.43 -0.32 -0.29 0.00 -1.00 0.00 0.00 59.36 57.31 3mbq h GLU 28 Cb 1.21 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 3mbq h GLU 28 CO 0.72 0.94 -0.60 0.95 -1.00 0.00 0.00 179.01 180.03 3mbq s THR 29 N -4.66 0.06 0.62 1.13 -4.23 -1.26 -5.01 115.64 102.29 3mbq s THR 29 Ca -0.12 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.74 3mbq s THR 29 Cb 0.10 -2.51 0.39 0.00 1.34 0.00 0.00 72.50 71.82 3mbq s THR 29 CO 0.82 0.00 2.27 0.00 -0.54 0.00 0.00 174.62 177.17 3mbq h ALA 30 N 2.50 1.36 0.00 3.99 0.00 -2.04 -2.27 119.26 122.81 3mbq h ALA 30 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3mbq h ALA 30 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mbq h ALA 30 CO 0.51 -0.05 -0.42 0.41 0.00 0.00 0.00 179.25 179.70 3mbq n GLY 31 N -1.24 -1.30 3.76 0.00 0.00 -1.26 -4.96 105.19 100.18 3mbq n GLY 31 Ca -0.02 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3mbq n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mbq s SER 32 N -3.08 6.86 0.08 1.61 0.01 -0.86 -4.93 113.70 113.40 3mbq s SER 32 Ca 0.11 2.54 0.14 0.00 1.31 0.00 0.00 55.95 60.06 3mbq s SER 32 Cb 0.17 -2.63 -0.13 0.00 0.21 0.00 0.00 66.02 63.64 3mbq s SER 32 CO 0.67 -0.50 0.94 0.00 0.41 0.00 0.00 173.24 174.77 3mbq h ALA 33 N 4.24 0.65 -2.49 1.44 0.00 -1.92 -3.48 119.26 117.70 3mbq h ALA 33 Ca -0.47 -0.93 -0.26 0.00 0.00 0.00 0.00 54.91 53.24 3mbq h ALA 33 Cb 1.22 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 19.08 3mbq h ALA 33 CO 0.71 1.06 -0.62 0.20 0.00 0.00 0.00 179.25 180.60 3mbq s GLY 34 N -4.80 1.45 -0.14 0.00 0.00 -1.26 -4.56 107.32 98.02 3mbq s GLY 34 Ca -0.02 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 42.98 3mbq s GLY 34 CO 0.80 -1.45 -0.10 1.06 0.00 0.00 0.00 173.10 173.41 3mbq s MET 35 N -4.10 3.47 0.24 2.90 1.00 -0.27 -4.61 119.30 117.92 3mbq s MET 35 Ca 0.36 -0.64 -0.30 0.00 0.00 0.00 0.00 55.69 55.12 3mbq s MET 35 Cb 0.07 -2.71 -0.09 0.00 0.00 0.00 0.00 34.83 32.10 3mbq s MET 35 CO 0.11 0.22 1.25 -0.51 0.00 0.00 0.00 175.02 176.09 3mbq s ASP 36 N 0.35 6.97 0.04 3.03 1.01 -1.26 -0.19 116.67 126.62 3mbq s ASP 36 Ca -0.09 2.41 0.02 0.00 0.71 0.00 0.00 52.55 55.60 3mbq s ASP 36 Cb -0.15 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 3mbq s ASP 36 CO 0.05 -0.43 0.03 -0.76 0.21 0.00 0.00 175.17 174.27 3mbq s LEU 37 N -0.75 3.64 0.29 1.23 1.43 -0.28 -4.74 118.68 119.50 3mbq s LEU 37 Ca 0.52 -0.02 0.11 0.00 -1.03 0.00 0.00 54.13 53.71 3mbq s LEU 37 Cb -0.36 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 3mbq s LEU 37 CO 0.42 0.23 -0.10 -0.13 0.23 0.00 0.00 176.35 177.00 3mbq s ARG 38 N -1.95 1.92 -0.25 1.70 0.52 -1.26 -1.09 118.95 118.54 3mbq s ARG 38 Ca 0.24 -1.69 -0.26 0.00 -0.52 0.00 0.00 55.73 53.49 3mbq s ARG 38 Cb -0.12 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.46 3mbq s ARG 38 CO 0.15 0.29 0.92 0.00 0.02 0.00 0.00 175.30 176.68 3mbq s ALA 39 N -2.47 3.63 -0.86 2.13 0.00 -0.00 -4.38 121.76 119.81 3mbq s ALA 39 Ca 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 3mbq s ALA 39 Cb -0.04 -3.42 0.33 0.00 0.00 0.00 0.00 23.12 19.99 3mbq s ALA 39 CO 0.17 -1.06 2.05 0.00 0.00 0.00 0.00 175.76 176.91 3mbq n ALA 40 N 6.23 6.47 -2.23 0.00 0.00 0.18 -0.52 120.51 130.64 3mbq n ALA 40 Ca 0.08 -4.13 -0.24 0.00 0.00 0.00 0.00 53.44 49.15 3mbq n ALA 40 Cb 0.47 -2.04 0.02 0.00 0.00 0.00 0.00 19.45 17.90 3mbq n ALA 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mbq s VAL 41 N -4.80 3.90 0.41 0.00 -7.23 -1.26 -4.77 120.40 106.65 3mbq s VAL 41 Ca 0.51 -0.28 -0.24 0.00 -1.81 0.00 0.00 61.98 60.16 3mbq s VAL 41 Cb 0.40 -3.48 -0.11 0.00 0.56 0.00 0.00 36.38 33.75 3mbq s VAL 41 CO -0.37 -0.41 0.90 0.00 -0.31 0.00 0.00 175.10 174.91 3mbq n ALA 42 N -2.28 -0.29 -0.09 1.32 0.00 -1.26 -4.50 120.51 113.41 3mbq n ALA 42 Ca 0.03 0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.62 3mbq n ALA 42 Cb 0.58 -2.00 0.10 0.00 0.00 0.00 0.00 19.45 18.13 3mbq n ALA 42 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mbq h GLU 43 N 1.38 0.78 -0.84 0.00 4.57 -1.97 -3.22 114.58 115.28 3mbq h GLU 43 Ca -0.43 -0.29 -0.60 0.00 -1.18 0.00 0.00 59.36 56.86 3mbq h GLU 43 Cb 1.35 -0.05 -0.37 0.00 -0.16 0.00 0.00 28.75 29.52 3mbq h GLU 43 CO 0.56 0.90 -0.15 -0.25 -1.18 0.00 0.00 179.01 178.89 3mbq n ASP 44 N -4.13 5.99 -3.93 1.04 8.00 -1.26 -4.82 116.55 117.43 3mbq n ASP 44 Ca 0.01 -3.77 -0.15 0.00 0.71 0.00 0.00 54.79 51.59 3mbq n ASP 44 Cb 0.41 -0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 3mbq n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mbq s ARG 45 N -3.69 0.29 -0.18 -1.24 1.70 -1.22 -5.13 118.95 109.49 3mbq s ARG 45 Ca 0.56 -0.12 -0.13 0.00 -0.47 0.00 0.00 55.73 55.57 3mbq s ARG 45 Cb 0.45 -0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 3mbq s ARG 45 CO 0.02 0.07 0.24 -0.65 -1.08 0.00 0.00 175.30 173.91 3mbq s GLN 46 N -0.06 4.22 -0.07 3.89 -0.21 -1.26 -4.57 119.66 121.61 3mbq s GLN 46 Ca 0.01 -0.01 -0.18 0.00 0.02 0.00 0.00 55.36 55.20 3mbq s GLN 46 Cb -0.02 -3.44 -0.05 0.00 1.00 0.00 0.00 33.01 30.51 3mbq s GLN 46 CO -0.00 0.23 0.49 0.42 -2.12 0.00 0.00 175.29 174.31 3mbq s ILE 47 N 0.53 5.08 -0.22 1.08 1.01 -0.36 -4.90 121.20 123.42 3mbq s ILE 47 Ca 0.14 1.01 -0.08 0.00 0.00 0.00 0.00 60.65 61.71 3mbq s ILE 47 Cb -0.13 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3mbq s ILE 47 CO 0.02 0.40 0.09 -0.69 0.00 0.00 0.00 174.94 174.77 3mbq s VAL 48 N 0.08 4.81 -0.31 2.92 1.01 -1.26 -0.00 120.40 127.65 3mbq s VAL 48 Ca 0.27 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.26 3mbq s VAL 48 Cb -0.16 -3.22 0.08 0.00 0.00 0.00 0.00 36.38 33.08 3mbq s VAL 48 CO 0.13 0.39 -0.00 -0.22 0.00 0.00 0.00 175.10 175.39 3mbq s LEU 49 N 0.95 4.23 0.69 3.92 2.96 0.25 -5.00 118.68 126.68 3mbq s LEU 49 Ca 0.05 -1.77 -0.10 0.00 -0.22 0.00 0.00 54.13 52.09 3mbq s LEU 49 Cb -0.14 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.94 3mbq s LEU 49 CO 0.03 -0.31 1.06 -0.76 -1.32 0.00 0.00 176.35 175.04 3mbq s LEU 50 N 1.04 2.95 0.14 -0.68 1.43 -1.26 -1.72 118.68 120.57 3mbq s LEU 50 Ca 0.02 1.00 -0.34 0.00 -1.03 0.00 0.00 54.13 53.78 3mbq s LEU 50 Cb -0.20 -3.78 -0.13 0.00 0.03 0.00 0.00 46.19 42.10 3mbq s LEU 50 CO -0.06 -1.32 1.62 -2.65 0.23 0.00 0.00 176.35 174.18 3mbq n PRO 51 N -2.93 2.20 0.00 1.29 -0.02 -1.26 -1.32 135.00 132.97 3mbq n PRO 51 Ca 0.06 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3mbq n PRO 51 Cb 0.58 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3mbq n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mbq n GLY 52 N 3.57 2.42 3.89 -1.23 0.00 0.91 -5.02 105.19 109.72 3mbq n GLY 52 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3mbq n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbq s ARG 53 N -0.40 3.71 0.09 1.61 1.81 -0.43 -4.78 118.95 120.56 3mbq s ARG 53 Ca 0.00 0.32 0.06 0.00 -1.72 0.00 0.00 55.73 54.40 3mbq s ARG 53 Cb 0.00 -2.45 -0.03 0.00 -0.45 0.00 0.00 34.95 32.02 3mbq s ARG 53 CO 0.00 -0.01 -0.16 -0.98 -0.68 0.00 0.00 175.30 173.48 3mbq s ARG 54 N -3.92 0.95 0.07 3.54 1.70 -1.26 -1.42 118.95 118.61 3mbq s ARG 54 Ca 0.49 -1.08 -0.19 0.00 -0.47 0.00 0.00 55.73 54.48 3mbq s ARG 54 Cb -0.10 -0.99 0.04 0.00 -0.57 0.00 0.00 34.95 33.33 3mbq s ARG 54 CO 0.33 0.22 0.45 -0.08 -1.08 0.00 0.00 175.30 175.14 3mbq s THR 55 N -1.46 0.05 -0.09 4.99 -1.32 -0.05 -4.99 115.64 112.77 3mbq s THR 55 Ca 0.03 -0.40 -0.22 0.00 -1.21 0.00 0.00 61.69 59.89 3mbq s THR 55 Cb -0.09 -1.01 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 3mbq s THR 55 CO 0.03 -0.22 0.65 -0.76 -2.21 0.00 0.00 174.62 172.12 3mbq s LEU 56 N -2.21 4.29 -0.21 9.08 1.43 -1.26 -1.46 118.68 128.35 3mbq s LEU 56 Ca -0.03 1.09 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 3mbq s LEU 56 Cb -0.00 -3.00 -0.00 0.00 0.03 0.00 0.00 46.19 43.22 3mbq s LEU 56 CO -0.05 -0.11 -0.07 -0.69 0.23 0.00 0.00 176.35 175.66 3mbq s VAL 57 N 0.86 3.17 0.36 -1.59 1.01 0.43 -4.91 120.40 119.74 3mbq s VAL 57 Ca 0.35 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 3mbq s VAL 57 Cb -0.17 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 3mbq s VAL 57 CO 0.16 0.45 1.22 -2.16 0.00 0.00 0.00 175.10 174.77 3mbq s PRO 58 N 1.37 4.21 0.03 2.72 0.04 -1.26 -0.62 135.00 141.50 3mbq s PRO 58 Ca 0.05 2.00 0.22 0.00 0.04 0.00 0.00 61.00 63.30 3mbq s PRO 58 Cb -0.14 -2.88 -0.14 0.00 0.04 0.00 0.00 34.50 31.38 3mbq s PRO 58 CO -0.04 -0.23 0.81 0.25 0.04 0.00 0.00 177.00 177.83 3mbq n THR 59 N 0.46 0.14 -1.24 1.26 -2.24 -0.86 -0.65 114.28 111.15 3mbq n THR 59 Ca 0.02 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 3mbq n THR 59 Cb 0.44 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 3mbq n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mbq n GLY 60 N 1.33 1.00 3.34 3.38 0.00 -1.26 -4.39 105.19 108.58 3mbq n GLY 60 Ca -0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3mbq n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbq s LEU 61 N -1.85 2.26 -0.18 0.99 1.43 -1.26 -0.84 118.68 119.22 3mbq s LEU 61 Ca 0.00 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 3mbq s LEU 61 Cb 0.00 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3mbq s LEU 61 CO 0.00 0.29 0.05 -0.63 0.23 0.00 0.00 176.35 176.28 3mbq s ILE 62 N -0.41 4.60 -0.10 -0.59 1.01 0.02 -0.71 121.20 125.02 3mbq s ILE 62 Ca 0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 3mbq s ILE 62 Cb -0.12 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 3mbq s ILE 62 CO 0.02 0.45 0.27 -0.76 0.00 0.00 0.00 174.94 174.91 3mbq s LEU 63 N 0.48 4.36 -0.55 2.97 1.43 -1.26 -0.58 118.68 125.52 3mbq s LEU 63 Ca 0.02 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.71 3mbq s LEU 63 Cb -0.13 -2.32 0.14 0.00 0.03 0.00 0.00 46.19 43.92 3mbq s LEU 63 CO 0.01 0.27 0.35 -1.61 0.23 0.00 0.00 176.35 175.60 3mbq s GLU 64 N -0.46 2.33 -0.16 1.70 2.02 0.13 -4.66 118.70 119.59 3mbq s GLU 64 Ca 0.17 -2.36 -0.17 0.00 0.02 0.00 0.00 54.97 52.64 3mbq s GLU 64 Cb -0.14 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 3mbq s GLU 64 CO 0.06 -1.13 0.43 0.42 0.02 0.00 0.00 175.26 175.05 3mbq s ILE 65 N 0.22 5.20 0.50 -1.63 1.01 -1.26 -1.31 121.20 123.92 3mbq s ILE 65 Ca 0.15 0.81 -0.20 0.00 0.00 0.00 0.00 60.65 61.40 3mbq s ILE 65 Cb -0.21 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 3mbq s ILE 65 CO -0.03 0.29 1.06 -2.16 0.00 0.00 0.00 174.94 174.10 3mbq s PRO 66 N 0.94 3.70 0.29 2.79 0.04 -1.26 -4.47 135.00 137.03 3mbq s PRO 66 Ca 0.22 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 3mbq s PRO 66 Cb -0.15 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 32.17 3mbq s PRO 66 CO 0.08 -0.53 1.00 0.94 0.04 0.00 0.00 177.00 178.54 3mbq n GLN 67 N -1.02 1.33 -0.07 4.56 7.27 -1.26 -2.43 117.38 125.75 3mbq n GLN 67 Ca 0.10 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.63 3mbq n GLN 67 Cb 0.52 -1.83 0.00 0.00 2.41 0.00 0.00 30.24 31.34 3mbq n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mbq n GLY 68 N 1.23 0.48 3.13 1.69 0.00 -1.26 -5.08 105.19 105.38 3mbq n GLY 68 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 3mbq n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mbq s TYR 69 N -2.18 0.56 0.10 1.61 2.02 -1.02 -0.61 117.35 117.83 3mbq s TYR 69 Ca 0.00 -1.04 -0.00 0.00 -0.37 0.00 0.00 57.07 55.66 3mbq s TYR 69 Cb 0.00 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 3mbq s TYR 69 CO 0.00 -0.45 -0.00 -1.83 -1.57 0.00 0.00 175.55 171.70 3mbq s GLU 70 N -3.95 0.83 -0.10 -0.62 -1.05 0.45 -3.88 118.70 110.37 3mbq s GLU 70 Ca 0.12 -1.36 0.03 0.00 -0.15 0.00 0.00 54.97 53.60 3mbq s GLU 70 Cb 0.07 0.09 -0.01 0.00 -0.44 0.00 0.00 34.13 33.85 3mbq s GLU 70 CO -0.07 -0.15 -0.20 0.08 0.95 0.00 0.00 175.26 175.87 3mbq s VAL 71 N -3.88 2.47 -0.17 1.83 1.01 -0.10 -1.08 120.40 120.48 3mbq s VAL 71 Ca 0.16 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3mbq s VAL 71 Cb 0.07 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3mbq s VAL 71 CO -0.03 0.55 0.15 -1.10 0.00 0.00 0.00 175.10 174.67 3mbq s GLN 72 N 0.22 3.94 -0.29 2.72 -0.21 0.34 -0.45 119.66 125.93 3mbq s GLN 72 Ca -0.12 -0.17 -0.10 0.00 0.02 0.00 0.00 55.36 54.99 3mbq s GLN 72 Cb -0.16 -3.34 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 3mbq s GLN 72 CO 0.07 0.46 0.17 0.42 -2.12 0.00 0.00 175.29 174.29 3mbq s ILE 73 N -0.11 5.00 0.23 1.08 -1.09 0.20 -1.01 121.20 125.50 3mbq s ILE 73 Ca 0.11 -0.08 0.11 0.00 -2.23 0.00 0.00 60.65 58.56 3mbq s ILE 73 Cb -0.12 -3.45 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 3mbq s ILE 73 CO 0.00 0.18 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.59 3mbq s ARG 74 N 1.70 1.75 0.56 2.79 0.52 0.66 -0.86 118.95 126.06 3mbq s ARG 74 Ca 0.06 -1.55 -0.18 0.00 -0.52 0.00 0.00 55.73 53.54 3mbq s ARG 74 Cb -0.16 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 3mbq s ARG 74 CO 0.09 0.38 1.10 -2.14 0.02 0.00 0.00 175.30 174.75 3mbq s PRO 75 N -3.07 3.33 -0.24 3.54 0.02 -1.26 -0.26 135.00 137.06 3mbq s PRO 75 Ca 0.26 1.48 -0.29 0.00 0.02 0.00 0.00 61.00 62.46 3mbq s PRO 75 Cb -0.07 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.44 3mbq s PRO 75 CO 0.13 -0.84 1.11 0.50 -0.33 0.00 0.00 177.00 177.57 3mbq s ARG 76 N -3.52 4.18 0.22 5.54 3.52 -1.26 -4.57 118.95 123.06 3mbq s ARG 76 Ca 0.70 1.34 -0.07 0.00 -0.13 0.00 0.00 55.73 57.56 3mbq s ARG 76 Cb -0.21 -3.70 0.17 0.00 -1.56 0.00 0.00 34.95 29.65 3mbq s ARG 76 CO 0.29 -0.75 1.80 0.77 -0.81 0.00 0.00 175.30 176.61 3mbq h SER 77 N 7.87 1.12 -0.63 -2.12 0.02 -1.94 -2.52 113.55 115.34 3mbq h SER 77 Ca -0.21 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3mbq h SER 77 Cb 1.07 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 3mbq h SER 77 CO 1.00 0.96 0.42 1.23 -1.14 0.00 0.00 176.83 179.29 3mbq h GLY 78 N 1.20 0.89 1.77 -3.77 0.00 -1.97 -0.69 103.07 100.50 3mbq h GLY 78 Ca 0.28 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 3mbq h GLY 78 CO -0.03 0.32 -0.60 1.41 0.00 0.00 0.00 176.54 177.64 3mbq h LEU 79 N 0.85 0.27 -0.18 3.11 3.38 -1.84 -0.63 115.31 120.28 3mbq h LEU 79 Ca 0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mbq h LEU 79 Cb -0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3mbq h LEU 79 CO -0.05 0.80 0.10 0.00 0.09 0.00 0.00 178.44 179.38 3mbq h ALA 80 N 1.20 0.23 0.15 1.53 0.00 -0.99 -0.61 119.26 120.77 3mbq h ALA 80 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3mbq h ALA 80 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3mbq h ALA 80 CO 0.09 -0.24 -0.07 0.35 0.00 0.00 0.00 179.25 179.38 3mbq h PHE 81 N 0.18 -0.19 -0.25 0.00 3.57 -1.06 -1.04 116.94 118.15 3mbq h PHE 81 Ca 0.06 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 3mbq h PHE 81 Cb 0.07 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3mbq h PHE 81 CO -0.04 0.19 -0.47 0.87 -2.23 0.00 0.00 178.31 176.62 3mbq h LYS 82 N -0.62 0.68 0.00 1.11 1.79 -1.13 -3.38 116.57 115.02 3mbq h LYS 82 Ca -0.02 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 3mbq h LYS 82 Cb 0.46 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3mbq h LYS 82 CO 0.03 1.00 0.00 0.09 -1.08 0.00 0.00 179.45 179.50 3mbq n ASN 83 N -4.00 0.31 -0.11 0.86 4.13 -0.29 -5.01 115.26 111.14 3mbq n ASN 83 Ca -0.03 -0.63 -0.01 0.00 1.68 0.00 0.00 54.58 55.59 3mbq n ASN 83 Cb 0.57 0.48 -0.01 0.00 -1.54 0.00 0.00 39.78 39.29 3mbq n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mbq n GLY 84 N 0.48 0.50 3.78 7.41 0.00 -0.39 -3.67 105.19 113.30 3mbq n GLY 84 Ca 0.00 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 3mbq n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mbq s ILE 85 N -2.04 4.79 0.32 -0.61 -1.09 -1.10 -0.54 121.20 120.93 3mbq s ILE 85 Ca 0.00 1.30 -0.01 0.00 -2.23 0.00 0.00 60.65 59.71 3mbq s ILE 85 Cb 0.00 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 3mbq s ILE 85 CO 0.00 0.47 0.41 0.28 -1.23 0.00 0.00 174.94 174.87 3mbq s THR 86 N -0.60 0.00 -0.32 2.92 -1.32 -0.59 -2.66 115.64 113.06 3mbq s THR 86 Ca 0.31 -1.70 -0.17 0.00 -1.21 0.00 0.00 61.69 58.93 3mbq s THR 86 Cb -0.19 -2.57 -0.01 0.00 -1.51 0.00 0.00 72.50 68.21 3mbq s THR 86 CO 0.19 0.00 0.46 0.00 -2.21 0.00 0.00 174.62 173.06 3mbq h LEU 88 N 8.91 0.89 -3.32 0.00 5.85 -1.22 -2.14 115.31 124.29 3mbq h LEU 88 Ca -0.29 -0.18 -0.25 0.00 0.84 0.00 0.00 57.88 58.00 3mbq h LEU 88 Cb 1.14 -0.23 -0.15 0.00 0.37 0.00 0.00 40.66 41.78 3mbq h LEU 88 CO 0.73 0.88 0.32 -0.46 -0.34 0.00 0.00 178.44 179.57 3mbq n ASN 89 N -4.25 3.95 -4.76 1.25 6.94 -1.26 -5.00 115.26 112.13 3mbq n ASN 89 Ca 0.04 -3.04 -0.39 0.00 -0.02 0.00 0.00 54.58 51.18 3mbq n ASN 89 Cb 0.25 -0.72 0.01 0.00 -2.36 0.00 0.00 39.78 36.96 3mbq n ASN 89 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3mbq s THR 90 N -2.45 2.43 0.01 5.53 -1.32 -0.81 -2.78 115.64 116.26 3mbq s THR 90 Ca 0.43 0.36 -0.30 0.00 -1.21 0.00 0.00 61.69 60.97 3mbq s THR 90 Cb 0.35 -3.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.10 3mbq s THR 90 CO 0.10 0.03 1.07 -2.16 -2.21 0.00 0.00 174.62 171.45 3mbq s PRO 91 N -2.53 4.49 0.29 7.08 0.04 -1.26 -5.10 135.00 138.02 3mbq s PRO 91 Ca 0.63 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 3mbq s PRO 91 Cb -0.38 -3.43 -0.09 0.00 0.04 0.00 0.00 34.50 30.63 3mbq s PRO 91 CO 0.48 -0.16 1.09 0.20 0.04 0.00 0.00 177.00 178.65 3mbq s GLY 92 N 1.06 3.04 -0.25 0.56 0.00 -0.04 -4.76 107.32 106.93 3mbq s GLY 92 Ca 0.54 0.88 -0.08 0.00 0.00 0.00 0.00 44.72 46.07 3mbq s GLY 92 CO 0.27 1.47 0.08 -1.59 0.00 0.00 0.00 173.10 173.33 3mbq s THR 93 N -1.21 4.40 -0.19 0.90 2.01 -1.26 -0.63 115.64 119.66 3mbq s THR 93 Ca 0.46 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 3mbq s THR 93 Cb -0.31 -3.06 -0.00 0.00 0.01 0.00 0.00 72.50 69.14 3mbq s THR 93 CO 0.40 0.34 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.94 3mbq s ILE 94 N 1.53 2.92 0.53 1.82 1.01 0.41 -5.01 121.20 124.40 3mbq s ILE 94 Ca 0.06 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 60.14 3mbq s ILE 94 Cb -0.15 -2.29 0.06 0.00 0.01 0.00 0.00 42.46 40.09 3mbq s ILE 94 CO 0.04 0.48 0.65 1.51 0.00 0.00 0.00 174.94 177.62 3mbq s ASP 95 N 1.21 5.11 0.33 3.58 1.47 -1.26 -0.92 116.67 126.19 3mbq s ASP 95 Ca 0.02 -0.83 0.26 0.00 1.18 0.00 0.00 52.55 53.18 3mbq s ASP 95 Cb -0.14 0.08 1.06 0.00 -0.34 0.00 0.00 42.92 43.57 3mbq s ASP 95 CO -0.04 -1.14 1.78 0.77 0.68 0.00 0.00 175.17 177.22 3mbq h SER 96 N 0.43 0.00 1.54 2.11 4.64 -1.78 -2.32 113.55 118.17 3mbq h SER 96 Ca -0.34 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.92 3mbq h SER 96 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3mbq h SER 96 CO 0.46 0.00 -0.32 0.44 -0.87 0.00 0.00 176.83 176.54 3mbq h ASP 97 N 0.00 0.00 -3.18 4.97 3.32 -1.94 -3.42 116.42 116.17 3mbq h ASP 97 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3mbq h ASP 97 Cb 0.44 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3mbq h ASP 97 CO 0.00 0.32 0.60 -0.47 -1.72 0.00 0.00 179.24 177.97 3mbq s TYR 98 N -3.14 3.37 -0.06 4.55 5.04 -0.87 -4.91 117.35 121.33 3mbq s TYR 98 Ca 0.04 1.36 0.10 0.00 -2.44 0.00 0.00 57.07 56.14 3mbq s TYR 98 Cb 0.07 -3.34 0.18 0.00 0.35 0.00 0.00 41.96 39.22 3mbq s TYR 98 CO 0.71 -0.95 1.09 0.54 -1.34 0.00 0.00 175.55 175.60 3mbq n ARG 99 N 4.68 0.57 -1.93 4.97 5.12 -1.26 -4.75 116.66 124.05 3mbq n ARG 99 Ca 0.09 -1.84 -0.29 0.00 -1.93 0.00 0.00 57.85 53.88 3mbq n ARG 99 Cb 0.47 -0.87 0.12 0.00 -1.16 0.00 0.00 32.46 31.02 3mbq n ARG 99 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3mbq s GLY 100 N -1.94 1.65 0.26 -0.13 0.00 -1.26 -4.94 107.32 100.96 3mbq s GLY 100 Ca 0.18 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 3mbq s GLY 100 CO -0.02 -0.26 1.36 1.85 0.00 0.00 0.00 173.10 176.03 3mbq s GLU 101 N -5.65 4.33 -0.12 2.90 2.12 -1.26 -4.47 118.70 116.55 3mbq s GLU 101 Ca 0.65 2.20 -0.29 0.00 0.36 0.00 0.00 54.97 57.89 3mbq s GLU 101 Cb -0.09 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 3mbq s GLU 101 CO 0.50 -0.30 1.35 0.08 -0.54 0.00 0.00 175.26 176.35 3mbq s VAL 102 N -0.28 4.10 0.11 3.70 1.01 0.11 -5.00 120.40 124.15 3mbq s VAL 102 Ca 0.56 1.34 0.10 0.00 0.00 0.00 0.00 61.98 63.98 3mbq s VAL 102 Cb -0.39 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3mbq s VAL 102 CO 0.44 -0.10 -0.26 -0.54 0.00 0.00 0.00 175.10 174.64 3mbq s LYS 103 N 3.45 1.54 -0.17 2.72 1.02 -1.26 -2.03 119.74 125.00 3mbq s LYS 103 Ca 0.59 -1.27 -0.04 0.00 0.02 0.00 0.00 55.97 55.27 3mbq s LYS 103 Cb -0.25 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 3mbq s LYS 103 CO 0.19 0.47 -0.03 0.08 -0.92 0.00 0.00 175.35 175.14 3mbq s VAL 104 N -1.00 3.81 -0.66 3.17 1.01 0.21 -4.88 120.40 122.06 3mbq s VAL 104 Ca 0.14 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 3mbq s VAL 104 Cb -0.10 -2.69 0.10 0.00 0.00 0.00 0.00 36.38 33.70 3mbq s VAL 104 CO 0.05 0.47 0.83 -0.22 0.00 0.00 0.00 175.10 176.23 3mbq s LEU 105 N 0.67 5.13 0.04 3.92 2.96 -1.26 -0.43 118.68 129.71 3mbq s LEU 105 Ca -0.02 -1.44 -0.10 0.00 -0.22 0.00 0.00 54.13 52.35 3mbq s LEU 105 Cb -0.14 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 3mbq s LEU 105 CO 0.02 -1.18 0.36 -0.76 -1.32 0.00 0.00 176.35 173.48 3mbq s LEU 106 N 2.96 4.38 -0.02 -0.68 1.43 -0.54 -0.66 118.68 125.55 3mbq s LEU 106 Ca 0.17 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 3mbq s LEU 106 Cb -0.19 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.23 3mbq s LEU 106 CO 0.05 0.23 -0.11 -0.51 0.23 0.00 0.00 176.35 176.24 3mbq s ILE 107 N -1.29 0.92 -0.59 -0.59 2.07 -0.10 -0.87 121.20 120.75 3mbq s ILE 107 Ca 0.29 -0.47 -0.19 0.00 -1.41 0.00 0.00 60.65 58.87 3mbq s ILE 107 Cb -0.14 -0.79 0.10 0.00 0.13 0.00 0.00 42.46 41.76 3mbq s ILE 107 CO 0.16 0.27 0.71 0.21 -1.91 0.00 0.00 174.94 174.38 3mbq s ASN 108 N -0.04 6.18 -0.17 4.50 3.84 -0.51 -1.55 114.94 127.20 3mbq s ASN 108 Ca 0.00 -1.42 0.17 0.00 0.21 0.00 0.00 52.86 51.82 3mbq s ASN 108 Cb -0.07 -2.30 0.78 0.00 -0.55 0.00 0.00 41.25 39.10 3mbq s ASN 108 CO 0.00 -1.12 1.70 0.18 -2.79 0.00 0.00 177.10 175.07 3mbq n LEU 109 N 6.36 5.25 0.00 3.21 4.77 0.30 -0.06 117.00 136.82 3mbq n LEU 109 Ca -0.09 -2.65 0.00 0.00 -0.03 0.00 0.00 56.01 53.23 3mbq n LEU 109 Cb 0.42 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3mbq n LEU 109 CO 0.59 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 3mbq n GLY 110 N 0.95 1.98 0.44 -0.72 0.00 -1.19 -4.88 105.19 101.77 3mbq n GLY 110 Ca 0.27 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 44.26 3mbq n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mbq n ASP 111 N -1.74 1.84 -4.75 1.61 8.00 -1.26 -4.52 116.55 115.73 3mbq n ASP 111 Ca 0.00 -1.42 -0.23 0.00 0.71 0.00 0.00 54.79 53.85 3mbq n ASP 111 Cb 0.00 0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3mbq n ASP 111 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3mbq s ASP 112 N -1.35 5.17 0.08 -2.24 1.01 -1.26 -4.88 116.67 113.21 3mbq s ASP 112 Ca 0.14 -0.36 -0.31 0.00 0.71 0.00 0.00 52.55 52.73 3mbq s ASP 112 Cb 0.11 -1.21 -0.08 0.00 1.01 0.00 0.00 42.92 42.75 3mbq s ASP 112 CO 0.24 -0.00 1.52 -1.81 0.21 0.00 0.00 175.17 175.32 3mbq s ASP 113 N -3.62 6.71 -0.12 0.27 1.01 -1.26 -4.17 116.67 115.49 3mbq s ASP 113 Ca 0.32 2.39 -0.04 0.00 0.71 0.00 0.00 52.55 55.93 3mbq s ASP 113 Cb -0.08 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3mbq s ASP 113 CO 0.23 -0.78 0.04 0.12 0.21 0.00 0.00 175.17 174.99 3mbq s PHE 114 N 1.92 3.27 -0.26 4.23 5.36 -0.70 -4.97 117.98 126.83 3mbq s PHE 114 Ca 0.69 0.21 -0.06 0.00 -0.96 0.00 0.00 56.93 56.81 3mbq s PHE 114 Cb -0.38 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 3mbq s PHE 114 CO 0.30 0.43 0.03 1.03 -1.46 0.00 0.00 175.22 175.55 3mbq s ARG 115 N -0.57 3.21 -0.20 10.12 1.81 -1.26 -0.58 118.95 131.49 3mbq s ARG 115 Ca 0.10 -0.76 -0.19 0.00 -1.72 0.00 0.00 55.73 53.17 3mbq s ARG 115 Cb -0.12 -3.23 -0.03 0.00 -0.45 0.00 0.00 34.95 31.12 3mbq s ARG 115 CO 0.02 -0.34 0.54 0.42 -0.68 0.00 0.00 175.30 175.26 3mbq s ILE 116 N 1.49 5.09 0.20 1.52 1.01 1.00 -4.91 121.20 126.60 3mbq s ILE 116 Ca 0.04 1.00 0.11 0.00 0.00 0.00 0.00 60.65 61.79 3mbq s ILE 116 Cb -0.16 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3mbq s ILE 116 CO 0.00 0.16 -0.22 -1.61 0.00 0.00 0.00 174.94 173.27 3mbq s GLU 117 N 1.71 1.49 0.20 2.79 2.02 -1.26 -1.23 118.70 124.42 3mbq s GLU 117 Ca 0.25 -1.54 -0.33 0.00 0.02 0.00 0.00 54.97 53.38 3mbq s GLU 117 Cb -0.16 -1.73 -0.13 0.00 0.10 0.00 0.00 34.13 32.21 3mbq s GLU 117 CO 0.10 0.36 1.55 -2.13 0.02 0.00 0.00 175.26 175.16 3mbq n ARG 118 N 0.15 2.23 0.00 1.61 0.63 -1.26 -2.12 116.66 117.90 3mbq n ARG 118 Ca -0.12 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 3mbq n ARG 118 Cb 0.57 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.93 3mbq n ARG 118 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mbq n GLY 119 N 3.05 3.00 3.63 5.14 0.00 0.32 -4.95 105.19 115.38 3mbq n GLY 119 Ca 0.15 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.69 3mbq n GLY 119 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3mbq n MET 120 N -2.00 1.69 -2.32 1.61 0.00 -0.90 -4.55 117.12 110.64 3mbq n MET 120 Ca 0.00 0.60 -0.42 0.00 0.00 0.00 0.00 57.70 57.88 3mbq n MET 120 Cb 0.00 -2.25 -0.03 0.00 0.00 0.00 0.00 33.22 30.94 3mbq n MET 120 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3mbq s ARG 121 N 0.10 4.38 0.00 2.12 0.52 -1.26 -0.82 118.95 123.98 3mbq s ARG 121 Ca 0.75 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 3mbq s ARG 121 Cb -0.76 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 31.38 3mbq s ARG 121 CO 0.47 -0.35 0.00 0.44 0.02 0.00 0.00 175.30 175.88 3mbq n ILE 122 N 4.00 0.00 -3.82 1.52 -5.35 -0.25 -4.94 119.36 110.52 3mbq n ILE 122 Ca 0.10 -0.31 -0.01 0.00 -0.27 0.00 0.00 62.75 62.26 3mbq n ILE 122 Cb 0.45 0.84 0.01 0.00 -1.74 0.00 0.00 39.64 39.19 3mbq n ILE 122 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mbq s ALA 123 N -1.10 -1.93 0.04 -1.28 0.00 -1.23 -4.28 121.76 111.98 3mbq s ALA 123 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.07 3mbq s ALA 123 Cb 0.00 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 3mbq s ALA 123 CO 0.00 -1.08 -0.14 1.14 0.00 0.00 0.00 175.76 175.68 3mbq s GLN 124 N -2.41 0.93 -0.17 0.00 -2.07 0.65 -1.13 119.66 115.46 3mbq s GLN 124 Ca 0.20 -0.76 -0.06 0.00 -1.82 0.00 0.00 55.36 52.92 3mbq s GLN 124 Cb -0.00 -0.93 -0.04 0.00 -1.09 0.00 0.00 33.01 30.95 3mbq s GLN 124 CO 0.01 0.23 0.03 0.00 -1.32 0.00 0.00 175.29 174.24 3mbq s ALA 125 N -0.87 3.27 -0.13 2.60 0.00 0.73 -0.25 121.76 127.11 3mbq s ALA 125 Ca 0.01 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3mbq s ALA 125 Cb -0.08 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.26 3mbq s ALA 125 CO 0.01 0.20 -0.21 0.08 0.00 0.00 0.00 175.76 175.84 3mbq s VAL 126 N 0.34 2.16 -0.16 0.00 1.01 -0.18 -1.12 120.40 122.44 3mbq s VAL 126 Ca 0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 3mbq s VAL 126 Cb -0.13 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 3mbq s VAL 126 CO 0.01 0.55 0.21 0.12 0.00 0.00 0.00 175.10 175.99 3mbq s PHE 127 N 0.69 3.47 0.02 5.22 2.19 -1.26 -0.51 117.98 127.80 3mbq s PHE 127 Ca -0.10 0.49 -0.07 0.00 0.33 0.00 0.00 56.93 57.58 3mbq s PHE 127 Cb -0.16 -2.20 -0.00 0.00 -1.31 0.00 0.00 43.02 39.34 3mbq s PHE 127 CO 0.01 0.35 0.14 0.00 1.83 0.00 0.00 175.22 177.55 3mbq s ALA 128 N 0.12 -0.26 0.61 11.12 0.00 -0.24 -5.01 121.76 128.11 3mbq s ALA 128 Ca 0.13 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 3mbq s ALA 128 Cb -0.12 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3mbq s ALA 128 CO 0.02 -0.27 1.19 -2.14 0.00 0.00 0.00 175.76 174.56 3mbq s PRO 129 N -2.00 2.88 0.03 0.00 0.02 -1.26 -0.42 135.00 134.25 3mbq s PRO 129 Ca -0.10 1.75 0.08 0.00 0.02 0.00 0.00 61.00 62.75 3mbq s PRO 129 Cb -0.04 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 3mbq s PRO 129 CO -0.01 -1.26 -0.23 0.54 -0.33 0.00 0.00 177.00 175.70 3mbq s VAL 130 N -1.74 1.88 -0.13 3.83 0.11 0.22 -4.70 120.40 119.86 3mbq s VAL 130 Ca 0.75 -1.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.58 3mbq s VAL 130 Cb -0.28 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 32.94 3mbq s VAL 130 CO 0.35 0.36 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.79 3mbq s ILE 131 N -0.72 3.73 -0.43 7.04 1.01 -1.26 -4.63 121.20 125.94 3mbq s ILE 131 Ca 0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 3mbq s ILE 131 Cb -0.09 -2.61 0.09 0.00 0.01 0.00 0.00 42.46 39.86 3mbq s ILE 131 CO 0.01 0.52 0.28 -1.10 0.00 0.00 0.00 174.94 174.65 3mbq s GLN 132 N 0.13 2.55 0.62 2.79 -0.21 -1.26 -5.09 119.66 119.19 3mbq s GLN 132 Ca -0.02 -1.56 -0.17 0.00 0.02 0.00 0.00 55.36 53.63 3mbq s GLN 132 Cb -0.14 -3.82 -0.02 0.00 1.00 0.00 0.00 33.01 30.04 3mbq s GLN 132 CO 0.03 -1.02 1.14 -1.25 -2.12 0.00 0.00 175.29 172.07 3mbq s PRO 133 N 1.40 2.93 0.22 2.91 0.04 -1.26 -5.00 135.00 136.25 3mbq s PRO 133 Ca 0.04 1.57 -0.32 0.00 0.04 0.00 0.00 61.00 62.33 3mbq s PRO 133 Cb -0.24 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 3mbq s PRO 133 CO 0.01 -1.18 1.71 -1.59 0.04 0.00 0.00 177.00 175.99 3mbq s LYS 134 N -3.69 4.12 -0.27 4.56 0.00 -1.26 -4.99 119.74 118.21 3mbq s LYS 134 Ca 0.71 2.61 -0.12 0.00 0.00 0.00 0.00 55.97 59.18 3mbq s LYS 134 Cb -0.24 -3.06 -0.05 0.00 0.00 0.00 0.00 37.83 34.48 3mbq s LYS 134 CO 0.36 -0.74 0.22 0.42 0.00 0.00 0.00 175.35 175.61 3mbq s ILE 135 N 1.03 5.29 -0.18 3.79 -1.09 -1.26 -5.06 121.20 123.72 3mbq s ILE 135 Ca 0.73 0.26 0.01 0.00 -2.23 0.00 0.00 60.65 59.42 3mbq s ILE 135 Cb -0.50 -3.56 0.03 0.00 -1.58 0.00 0.00 42.46 36.85 3mbq s ILE 135 CO 0.34 0.26 -0.15 -0.70 -1.23 0.00 0.00 174.94 173.46 3mbq s GLU 136 N 1.63 2.44 0.30 2.79 2.12 -1.26 -5.11 118.70 121.62 3mbq s GLU 136 Ca 0.09 -0.79 -0.28 0.00 0.36 0.00 0.00 54.97 54.35 3mbq s GLU 136 Cb -0.15 -2.40 -0.09 0.00 0.26 0.00 0.00 34.13 31.74 3mbq s GLU 136 CO 0.09 -0.31 1.06 -2.00 -0.54 0.00 0.00 175.26 173.57 3mbq s GLU 137 N 1.37 4.56 0.08 4.30 2.12 -1.26 -5.04 118.70 124.82 3mbq s GLU 137 Ca 0.02 1.69 0.05 0.00 0.36 0.00 0.00 54.97 57.09 3mbq s GLU 137 Cb -0.14 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 3mbq s GLU 137 CO -0.10 0.17 -0.14 1.03 -0.54 0.00 0.00 175.26 175.68 3mbq s ARG 138 N -1.67 0.86 -0.02 4.30 0.52 -1.26 -5.05 118.95 116.63 3mbq s ARG 138 Ca 0.47 -1.02 0.22 0.00 -0.52 0.00 0.00 55.73 54.88 3mbq s ARG 138 Cb -0.29 -0.82 -0.31 0.00 0.52 0.00 0.00 34.95 34.05 3mbq s ARG 138 CO 0.36 0.18 0.51 0.00 0.02 0.00 0.00 175.30 176.36 3mbq n ALA 139 N 1.09 2.72 -2.69 2.13 0.00 -1.26 -4.98 120.51 117.52 3mbq n ALA 139 Ca -0.20 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.56 3mbq n ALA 139 Cb 0.55 -0.75 -0.11 0.00 0.00 0.00 0.00 19.45 19.13 3mbq n ALA 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3mbq s LYS 140 N -3.46 0.72 0.14 0.00 0.00 -1.26 -5.12 119.74 110.76 3mbq s LYS 140 Ca -0.08 -0.95 -0.31 0.00 0.00 0.00 0.00 55.97 54.64 3mbq s LYS 140 Cb 0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 37.83 37.34 3mbq s LYS 140 CO 0.90 0.10 1.47 0.42 0.00 0.00 0.00 175.35 178.24 3mbq s ILE 141 N -1.68 2.98 -2.46 3.79 1.09 -1.26 -5.23 121.20 118.43 3mbq s ILE 141 Ca -0.03 0.71 0.28 0.00 -1.10 0.00 0.00 60.65 60.52 3mbq s ILE 141 Cb -0.08 -3.46 0.58 0.00 -1.06 0.00 0.00 42.46 38.45 3mbq s ILE 141 CO 0.01 0.06 1.79 -1.20 -0.10 0.00 0.00 174.94 175.49