#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 1.54 -0.18 0.00 0.02 -1.26 -5.04 135.00 130.08 3mbq s PRO 9 Ca 0.00 0.98 -0.05 0.00 0.02 0.00 0.00 61.00 61.95 3mbq s PRO 9 Cb 0.00 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 3mbq s PRO 9 CO 0.00 -2.09 -0.01 0.99 -0.33 0.00 0.00 177.00 175.57 3mbq s THR 10 N -2.90 4.07 -0.28 0.99 2.01 -1.26 -5.09 115.64 113.18 3mbq s THR 10 Ca 0.63 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 62.24 3mbq s THR 10 Cb -0.18 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 3mbq s THR 10 CO 0.57 0.46 0.15 -0.22 -0.69 0.00 0.00 174.62 174.89 3mbq s LEU 11 N 0.62 3.89 0.17 4.42 2.96 -1.26 -4.33 118.68 125.14 3mbq s LEU 11 Ca -0.01 -0.17 -0.26 0.00 -0.22 0.00 0.00 54.13 53.47 3mbq s LEU 11 Cb -0.14 -2.04 -0.08 0.00 0.50 0.00 0.00 46.19 44.43 3mbq s LEU 11 CO 0.02 -0.08 0.82 -0.83 -1.32 0.00 0.00 176.35 174.96 3mbq s GLY 12 N 1.69 2.96 -0.09 7.98 0.00 -0.30 -4.94 107.32 114.62 3mbq s GLY 12 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.21 3mbq s GLY 12 CO 0.08 0.97 -0.07 -0.42 0.00 0.00 0.00 173.10 173.66 3mbq s ILE 13 N -1.04 0.90 -0.21 0.90 1.01 -1.26 -0.93 121.20 120.57 3mbq s ILE 13 Ca 0.37 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 3mbq s ILE 13 Cb -0.24 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 3mbq s ILE 13 CO 0.27 0.33 0.06 -0.63 0.00 0.00 0.00 174.94 174.98 3mbq s ILE 14 N 1.37 4.55 -0.34 2.92 1.01 -0.21 -4.98 121.20 125.52 3mbq s ILE 14 Ca -0.02 -0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.31 3mbq s ILE 14 Cb -0.14 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3mbq s ILE 14 CO -0.04 0.41 0.70 -0.13 0.00 0.00 0.00 174.94 175.88 3mbq s ARG 15 N 0.90 3.78 1.01 2.79 0.52 -1.26 -1.33 118.95 125.35 3mbq s ARG 15 Ca 0.04 0.24 -0.13 0.00 -0.52 0.00 0.00 55.73 55.36 3mbq s ARG 15 Cb -0.14 -3.78 0.19 0.00 0.52 0.00 0.00 34.95 31.74 3mbq s ARG 15 CO 0.03 -0.73 1.10 -0.51 0.02 0.00 0.00 175.30 175.20 3mbq s LEU 16 N 2.83 1.56 0.26 2.53 1.43 0.16 -4.74 118.68 122.71 3mbq s LEU 16 Ca 0.28 1.11 -0.03 0.00 -1.03 0.00 0.00 54.13 54.46 3mbq s LEU 16 Cb -0.14 -3.28 0.39 0.00 0.03 0.00 0.00 46.19 43.19 3mbq s LEU 16 CO 0.15 -3.15 1.89 -0.33 0.23 0.00 0.00 176.35 175.13 3mbq h GLU 17 N -1.90 1.17 0.00 1.70 4.39 -1.98 0.05 114.58 118.00 3mbq h GLU 17 Ca -0.54 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.09 3mbq h GLU 17 Cb 1.33 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3mbq h GLU 17 CO 0.58 0.77 0.00 -2.39 -1.16 0.00 0.00 179.01 176.81 3mbq n HIS 18 N -4.49 0.00 0.41 4.33 1.44 -1.26 -2.95 115.22 112.70 3mbq n HIS 18 Ca 0.15 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.91 3mbq n HIS 18 Cb 0.16 -0.09 0.01 0.00 0.12 0.00 0.00 29.99 30.19 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 -1.09 2.70 -0.19 1.59 0.00 -0.03 -4.76 120.51 118.73 3mbq n ALA 19 Ca 0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 53.12 3mbq n ALA 19 Cb 0.12 -0.33 0.20 0.00 0.00 0.00 0.00 19.45 19.44 3mbq n ALA 19 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3mbq h LYS 20 N 1.28 0.95 0.00 0.00 1.79 -1.36 -2.35 116.57 116.88 3mbq h LYS 20 Ca 0.00 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3mbq h LYS 20 Cb 0.34 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3mbq h LYS 20 CO 0.00 0.73 0.00 0.41 -1.08 0.00 0.00 179.45 179.51 3mbq n GLY 21 N -1.13 -0.92 3.73 3.86 0.00 -1.26 -4.83 105.19 104.64 3mbq n GLY 21 Ca 0.06 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.01 3.56 0.53 0.99 1.43 -0.88 -5.09 118.68 117.20 3mbq s LEU 22 Ca 0.44 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.08 3mbq s LEU 22 Cb 0.20 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 3mbq s LEU 22 CO 0.34 0.09 1.16 -1.81 0.23 0.00 0.00 176.35 176.36 3mbq s ASP 23 N -2.96 5.73 0.62 2.29 1.01 -1.26 -5.00 116.67 117.10 3mbq s ASP 23 Ca 0.29 2.28 -0.18 0.00 0.71 0.00 0.00 52.55 55.65 3mbq s ASP 23 Cb -0.10 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 3mbq s ASP 23 CO 0.21 -1.22 1.08 0.18 0.21 0.00 0.00 175.17 175.63 3mbq n LEU 24 N -1.11 4.54 -4.73 1.23 4.77 -1.26 -4.97 117.00 115.46 3mbq n LEU 24 Ca 0.11 0.81 -0.36 0.00 -0.03 0.00 0.00 56.01 56.54 3mbq n LEU 24 Cb 0.50 -1.45 0.07 0.00 -2.33 0.00 0.00 43.42 40.21 3mbq n LEU 24 CO 0.45 -1.56 0.85 -2.84 -1.33 0.00 0.00 177.39 172.95 3mbq s PRO 25 N -2.98 2.51 0.12 3.23 0.02 -1.26 -5.03 135.00 131.60 3mbq s PRO 25 Ca 0.78 1.89 -0.22 0.00 0.02 0.00 0.00 61.00 63.47 3mbq s PRO 25 Cb -0.40 -1.86 0.06 0.00 0.02 0.00 0.00 34.50 32.32 3mbq s PRO 25 CO 0.44 -1.58 0.56 0.00 -0.33 0.00 0.00 177.00 176.09 3mbq s ALA 26 N -1.66 -1.45 -0.03 -1.55 0.00 -1.26 -5.08 121.76 110.72 3mbq s ALA 26 Ca 0.78 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.96 3mbq s ALA 26 Cb -0.33 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3mbq s ALA 26 CO 0.40 -0.68 0.76 0.71 0.00 0.00 0.00 175.76 176.96 3mbq s TYR 27 N -3.37 3.63 0.05 0.00 2.02 -1.26 -4.37 117.35 114.05 3mbq s TYR 27 Ca -0.00 1.38 -0.23 0.00 -0.37 0.00 0.00 57.07 57.85 3mbq s TYR 27 Cb -0.00 -2.86 -0.14 0.00 -0.40 0.00 0.00 41.96 38.55 3mbq s TYR 27 CO -0.09 0.11 1.53 1.49 -1.57 0.00 0.00 175.55 177.02 3mbq h GLU 28 N 6.52 0.13 -5.02 -0.62 4.81 -1.95 -3.46 114.58 115.00 3mbq h GLU 28 Ca -0.42 -0.03 -0.41 0.00 -0.13 0.00 0.00 59.36 58.36 3mbq h GLU 28 Cb 1.20 -0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.43 3mbq h GLU 28 CO 0.74 0.33 -0.60 0.95 -0.73 0.00 0.00 179.01 179.71 3mbq s THR 29 N -5.22 0.76 0.62 0.32 -4.23 -1.26 -5.01 115.64 101.62 3mbq s THR 29 Ca -0.14 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.72 3mbq s THR 29 Cb 0.05 -2.66 0.39 0.00 1.34 0.00 0.00 72.50 71.62 3mbq s THR 29 CO 0.69 0.00 2.30 0.00 -0.54 0.00 0.00 174.62 177.07 3mbq h ALA 30 N 2.23 1.33 0.00 3.99 0.00 -2.04 -2.42 119.26 122.34 3mbq h ALA 30 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 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 0.63 -0.00 -0.34 0.41 0.00 0.00 0.00 179.25 179.94 3mbq n GLY 31 N -1.23 -1.43 3.77 0.00 0.00 -1.26 -4.96 105.19 100.08 3mbq n GLY 31 Ca -0.03 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.63 6.41 -0.02 1.61 0.01 -0.91 -4.94 113.70 112.24 3mbq s SER 32 Ca 0.10 2.71 0.09 0.00 1.31 0.00 0.00 55.95 60.16 3mbq s SER 32 Cb 0.16 -2.64 -0.23 0.00 0.21 0.00 0.00 66.02 63.51 3mbq s SER 32 CO 0.65 -0.78 0.77 0.00 0.41 0.00 0.00 173.24 174.28 3mbq h ALA 33 N 2.87 0.65 -2.66 1.44 0.00 -1.93 -3.49 119.26 116.15 3mbq h ALA 33 Ca -0.50 -1.34 -0.47 0.00 0.00 0.00 0.00 54.91 52.60 3mbq h ALA 33 Cb 1.24 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 19.28 3mbq h ALA 33 CO 0.63 1.48 -0.50 0.20 0.00 0.00 0.00 179.25 181.06 3mbq s GLY 34 N -5.06 2.33 -0.12 0.00 0.00 -1.26 -4.57 107.32 98.64 3mbq s GLY 34 Ca -0.05 -1.90 0.02 0.00 0.00 0.00 0.00 44.72 42.79 3mbq s GLY 34 CO 0.82 -1.53 -0.18 1.06 0.00 0.00 0.00 173.10 173.27 3mbq s MET 35 N -3.54 2.60 0.34 2.90 1.00 -0.47 -4.59 119.30 117.54 3mbq s MET 35 Ca 0.38 -0.70 -0.29 0.00 0.00 0.00 0.00 55.69 55.08 3mbq s MET 35 Cb 0.03 -2.15 -0.11 0.00 0.00 0.00 0.00 34.83 32.60 3mbq s MET 35 CO 0.24 -0.04 1.45 -0.51 0.00 0.00 0.00 175.02 176.17 3mbq s ASP 36 N 0.90 6.48 0.02 3.03 1.01 -1.26 -0.51 116.67 126.34 3mbq s ASP 36 Ca -0.07 2.91 0.05 0.00 0.71 0.00 0.00 52.55 56.15 3mbq s ASP 36 Cb -0.15 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.09 3mbq s ASP 36 CO -0.02 -0.78 -0.11 -0.76 0.21 0.00 0.00 175.17 173.71 3mbq s LEU 37 N -1.64 2.94 0.24 1.23 1.43 -0.59 -4.68 118.68 117.60 3mbq s LEU 37 Ca 0.54 -0.26 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 3mbq s LEU 37 Cb -0.45 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3mbq s LEU 37 CO 0.57 0.27 -0.06 -0.13 0.23 0.00 0.00 176.35 177.23 3mbq s ARG 38 N -1.42 2.14 -0.16 1.70 0.52 -1.26 -0.70 118.95 119.77 3mbq s ARG 38 Ca 0.16 -1.40 -0.29 0.00 -0.52 0.00 0.00 55.73 53.69 3mbq s ARG 38 Cb -0.11 -2.12 -0.00 0.00 0.52 0.00 0.00 34.95 33.24 3mbq s ARG 38 CO 0.07 0.39 0.99 0.00 0.02 0.00 0.00 175.30 176.76 3mbq s ALA 39 N -2.11 3.52 -0.36 2.13 0.00 0.27 -4.41 121.76 120.80 3mbq s ALA 39 Ca 0.29 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.58 3mbq s ALA 39 Cb -0.07 -3.44 0.66 0.00 0.00 0.00 0.00 23.12 20.27 3mbq s ALA 39 CO 0.18 -0.77 1.77 0.00 0.00 0.00 0.00 175.76 176.94 3mbq n ALA 40 N 5.50 4.87 -0.76 0.00 0.00 -0.02 -0.35 120.51 129.76 3mbq n ALA 40 Ca 0.09 -2.72 -0.31 0.00 0.00 0.00 0.00 53.44 50.50 3mbq n ALA 40 Cb 0.48 -1.21 0.16 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.16 2.06 0.51 0.00 -7.23 -1.26 -4.81 120.40 106.51 3mbq s VAL 41 Ca 0.53 0.02 -0.22 0.00 -1.81 0.00 0.00 61.98 60.50 3mbq s VAL 41 Cb 0.45 -2.10 -0.06 0.00 0.56 0.00 0.00 36.38 35.23 3mbq s VAL 41 CO 0.10 -0.03 1.29 0.00 -0.31 0.00 0.00 175.10 176.15 3mbq s ALA 42 N -2.58 2.90 0.31 1.32 0.00 -1.26 -4.45 121.76 118.00 3mbq s ALA 42 Ca 0.68 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.86 3mbq s ALA 42 Cb -0.24 -3.50 0.62 0.00 0.00 0.00 0.00 23.12 20.00 3mbq s ALA 42 CO 0.57 -1.10 1.88 1.49 0.00 0.00 0.00 175.76 178.59 3mbq h GLU 43 N 1.73 0.90 -0.58 0.00 4.57 -1.96 -1.29 114.58 117.95 3mbq h GLU 43 Ca -0.50 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 3mbq h GLU 43 Cb 1.28 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3mbq h GLU 43 CO 0.59 0.59 0.00 -0.40 -1.18 0.00 0.00 179.01 178.61 3mbq n ASP 44 N -4.55 2.96 -2.58 1.04 5.75 -1.26 -4.23 116.55 113.68 3mbq n ASP 44 Ca 0.16 -2.24 -0.15 0.00 -0.01 0.00 0.00 54.79 52.55 3mbq n ASP 44 Cb 0.32 -0.43 0.02 0.00 -1.03 0.00 0.00 41.12 40.00 3mbq n ASP 44 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mbq n ARG 45 N 0.59 2.07 -1.57 0.11 5.12 -0.48 -5.09 116.66 117.40 3mbq n ARG 45 Ca 0.15 -3.73 -0.35 0.00 -1.93 0.00 0.00 57.85 52.00 3mbq n ARG 45 Cb 0.56 -1.65 0.08 0.00 -1.16 0.00 0.00 32.46 30.28 3mbq n ARG 45 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 3mbq s GLN 46 N -3.34 2.36 0.15 5.56 -2.07 -1.25 -4.61 119.66 116.46 3mbq s GLN 46 Ca 0.35 1.75 0.03 0.00 -1.82 0.00 0.00 55.36 55.67 3mbq s GLN 46 Cb 0.43 -1.86 -0.05 0.00 -1.09 0.00 0.00 33.01 30.44 3mbq s GLN 46 CO -0.04 -1.67 -0.06 0.96 -1.32 0.00 0.00 175.29 173.16 3mbq s ILE 47 N -1.93 0.93 -0.18 3.63 -4.36 -0.66 -5.00 121.20 113.63 3mbq s ILE 47 Ca 0.74 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 59.12 3mbq s ILE 47 Cb -0.29 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 41.50 3mbq s ILE 47 CO 0.43 -0.66 -0.14 -0.69 0.24 0.00 0.00 174.94 174.11 3mbq s VAL 48 N -3.48 2.63 -0.43 8.37 1.01 -1.26 -0.74 120.40 126.51 3mbq s VAL 48 Ca 0.19 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 3mbq s VAL 48 Cb 0.04 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3mbq s VAL 48 CO 0.01 0.50 0.57 -0.22 0.00 0.00 0.00 175.10 175.95 3mbq s LEU 49 N 1.18 4.63 0.59 3.92 2.96 0.39 -4.92 118.68 127.44 3mbq s LEU 49 Ca 0.02 -0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 53.33 3mbq s LEU 49 Cb -0.14 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 3mbq s LEU 49 CO -0.06 -0.70 1.03 -0.76 -1.32 0.00 0.00 176.35 174.54 3mbq s LEU 50 N 2.56 3.40 0.14 -0.68 1.43 -1.26 -1.87 118.68 122.41 3mbq s LEU 50 Ca 0.19 1.59 -0.34 0.00 -1.03 0.00 0.00 54.13 54.53 3mbq s LEU 50 Cb -0.15 -4.50 -0.16 0.00 0.03 0.00 0.00 46.19 41.41 3mbq s LEU 50 CO 0.17 -0.93 1.28 -2.65 0.23 0.00 0.00 176.35 174.44 3mbq n PRO 51 N -2.26 1.25 0.00 1.29 -0.02 -1.26 -1.51 135.00 132.49 3mbq n PRO 51 Ca 0.07 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3mbq n PRO 51 Cb 0.54 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 2.32 2.68 3.95 -1.23 0.00 0.15 -5.01 105.19 108.04 3mbq n GLY 52 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.32 3.41 0.15 1.61 1.81 -0.57 -4.79 118.95 120.25 3mbq s ARG 53 Ca 0.00 -0.40 0.06 0.00 -1.72 0.00 0.00 55.73 53.68 3mbq s ARG 53 Cb 0.00 -2.66 -0.04 0.00 -0.45 0.00 0.00 34.95 31.80 3mbq s ARG 53 CO 0.00 0.10 -0.14 -0.98 -0.68 0.00 0.00 175.30 173.60 3mbq s ARG 54 N -4.33 1.11 -0.12 3.54 1.70 -1.26 -1.64 118.95 117.96 3mbq s ARG 54 Ca 0.41 -1.35 -0.17 0.00 -0.47 0.00 0.00 55.73 54.14 3mbq s ARG 54 Cb -0.10 -0.95 0.04 0.00 -0.57 0.00 0.00 34.95 33.37 3mbq s ARG 54 CO 0.36 0.17 0.45 -0.08 -1.08 0.00 0.00 175.30 175.12 3mbq s THR 55 N -2.44 0.02 -0.36 4.99 -1.32 -0.26 -5.00 115.64 111.26 3mbq s THR 55 Ca 0.13 -0.13 -0.17 0.00 -1.21 0.00 0.00 61.69 60.32 3mbq s THR 55 Cb -0.03 -0.68 -0.00 0.00 -1.51 0.00 0.00 72.50 70.28 3mbq s THR 55 CO 0.04 -0.07 0.44 -0.22 -2.21 0.00 0.00 174.62 172.59 3mbq s LEU 56 N -0.34 4.46 -0.26 9.08 2.96 -1.26 -1.17 118.68 132.15 3mbq s LEU 56 Ca -0.05 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 3mbq s LEU 56 Cb -0.03 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 3mbq s LEU 56 CO 0.03 -0.44 0.14 -0.69 -1.32 0.00 0.00 176.35 174.08 3mbq s VAL 57 N 2.20 5.00 0.42 1.68 1.01 0.81 -4.90 120.40 126.61 3mbq s VAL 57 Ca 0.15 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 3mbq s VAL 57 Cb -0.16 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 3mbq s VAL 57 CO 0.13 0.30 1.10 -2.16 0.00 0.00 0.00 175.10 174.47 3mbq s PRO 58 N 1.56 4.03 -0.01 2.72 0.04 -1.26 -0.64 135.00 141.43 3mbq s PRO 58 Ca 0.07 1.64 0.19 0.00 0.04 0.00 0.00 61.00 62.94 3mbq s PRO 58 Cb -0.15 -2.53 -0.25 0.00 0.04 0.00 0.00 34.50 31.61 3mbq s PRO 58 CO 0.08 -0.29 0.66 0.25 0.04 0.00 0.00 177.00 177.73 3mbq n THR 59 N -0.16 0.00 -1.21 1.26 -2.24 -0.99 -0.84 114.28 110.09 3mbq n THR 59 Ca 0.06 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 3mbq n THR 59 Cb 0.49 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.42 0.86 3.52 3.38 0.00 -1.26 -4.54 105.19 108.57 3mbq n GLY 60 Ca 0.01 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.66 2.89 -0.12 0.99 1.43 -1.26 0.36 118.68 121.31 3mbq s LEU 61 Ca 0.00 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3mbq s LEU 61 Cb 0.00 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3mbq s LEU 61 CO 0.00 0.33 -0.09 -0.63 0.23 0.00 0.00 176.35 176.19 3mbq s ILE 62 N -0.81 3.47 -0.10 -0.59 1.01 -0.44 -0.79 121.20 122.94 3mbq s ILE 62 Ca 0.13 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 3mbq s ILE 62 Cb -0.11 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3mbq s ILE 62 CO 0.02 0.53 -0.00 -0.76 0.00 0.00 0.00 174.94 174.73 3mbq s LEU 63 N 0.06 3.53 -0.42 2.97 1.43 -1.26 -1.04 118.68 123.94 3mbq s LEU 63 Ca -0.03 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3mbq s LEU 63 Cb -0.14 -1.81 0.11 0.00 0.03 0.00 0.00 46.19 44.38 3mbq s LEU 63 CO 0.04 0.34 0.14 -1.61 0.23 0.00 0.00 176.35 175.49 3mbq s GLU 64 N -0.68 1.69 -0.15 1.70 2.02 -0.11 -4.65 118.70 118.53 3mbq s GLU 64 Ca 0.11 -2.20 -0.13 0.00 0.02 0.00 0.00 54.97 52.77 3mbq s GLU 64 Cb -0.12 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3mbq s GLU 64 CO 0.02 -1.01 0.28 0.42 0.02 0.00 0.00 175.26 174.98 3mbq s ILE 65 N 0.39 5.31 0.72 -1.63 1.01 -1.26 -1.15 121.20 124.59 3mbq s ILE 65 Ca 0.14 0.51 -0.13 0.00 0.00 0.00 0.00 60.65 61.17 3mbq s ILE 65 Cb -0.22 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.68 3mbq s ILE 65 CO -0.05 0.42 1.11 -2.84 0.00 0.00 0.00 174.94 173.59 3mbq s PRO 66 N 0.23 2.45 0.20 2.79 0.02 -1.26 -4.55 135.00 134.88 3mbq s PRO 66 Ca 0.16 1.33 -0.32 0.00 0.02 0.00 0.00 61.00 62.19 3mbq s PRO 66 Cb -0.13 -1.91 -0.15 0.00 0.02 0.00 0.00 34.50 32.33 3mbq s PRO 66 CO 0.04 -1.52 1.27 0.94 -0.33 0.00 0.00 177.00 177.40 3mbq n GLN 67 N -2.97 1.54 -0.09 5.54 -0.06 -1.26 -2.20 117.38 117.87 3mbq n GLN 67 Ca 0.10 0.55 0.00 0.00 -2.00 0.00 0.00 57.00 55.65 3mbq n GLN 67 Cb 0.52 -2.11 0.00 0.00 -4.06 0.00 0.00 30.24 24.59 3mbq n GLN 67 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3mbq n GLY 68 N 2.08 0.54 3.29 1.69 0.00 -1.26 -5.06 105.19 106.47 3mbq n GLY 68 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.25 1.43 0.20 1.61 2.02 -0.94 -1.06 117.35 118.36 3mbq s TYR 69 Ca 0.00 -0.84 -0.00 0.00 -0.37 0.00 0.00 57.07 55.86 3mbq s TYR 69 Cb 0.00 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 3mbq s TYR 69 CO 0.00 0.03 0.10 -1.83 -1.57 0.00 0.00 175.55 172.28 3mbq s GLU 70 N -3.80 1.20 -0.11 -0.62 -1.05 0.32 -3.97 118.70 110.67 3mbq s GLU 70 Ca 0.23 -1.63 0.03 0.00 -0.15 0.00 0.00 54.97 53.45 3mbq s GLU 70 Cb 0.04 0.09 -0.00 0.00 -0.44 0.00 0.00 34.13 33.82 3mbq s GLU 70 CO 0.05 -0.32 -0.22 0.08 0.95 0.00 0.00 175.26 175.80 3mbq s VAL 71 N -4.00 2.22 -0.17 1.83 1.01 -0.89 -1.01 120.40 119.39 3mbq s VAL 71 Ca 0.35 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3mbq s VAL 71 Cb 0.07 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3mbq s VAL 71 CO 0.10 0.55 0.19 -1.10 0.00 0.00 0.00 175.10 174.84 3mbq s GLN 72 N 0.42 4.07 -0.41 2.72 -0.21 0.86 -0.80 119.66 126.30 3mbq s GLN 72 Ca -0.16 -0.09 -0.18 0.00 0.02 0.00 0.00 55.36 54.95 3mbq s GLN 72 Cb -0.17 -3.37 0.02 0.00 1.00 0.00 0.00 33.01 30.48 3mbq s GLN 72 CO 0.07 0.38 0.49 0.42 -2.12 0.00 0.00 175.29 174.53 3mbq s ILE 73 N 0.10 5.02 0.16 1.08 -1.09 0.04 -0.91 121.20 125.59 3mbq s ILE 73 Ca 0.12 -0.11 0.07 0.00 -2.23 0.00 0.00 60.65 58.51 3mbq s ILE 73 Cb -0.12 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3mbq s ILE 73 CO 0.01 -0.42 -0.02 -0.13 -1.23 0.00 0.00 174.94 173.16 3mbq s ARG 74 N 2.34 2.37 0.57 2.79 0.52 0.60 -0.60 118.95 127.54 3mbq s ARG 74 Ca 0.16 -1.09 -0.19 0.00 -0.52 0.00 0.00 55.73 54.08 3mbq s ARG 74 Cb -0.16 -2.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 3mbq s ARG 74 CO 0.15 0.46 1.17 -2.14 0.02 0.00 0.00 175.30 174.96 3mbq s PRO 75 N -2.83 3.13 0.03 3.54 0.02 -1.26 -0.79 135.00 136.84 3mbq s PRO 75 Ca 0.27 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 3mbq s PRO 75 Cb -0.10 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 3mbq s PRO 75 CO 0.18 -1.05 1.14 1.03 -0.33 0.00 0.00 177.00 177.97 3mbq s ARG 76 N -3.33 4.45 0.17 5.54 0.52 -1.26 -4.61 118.95 120.43 3mbq s ARG 76 Ca 0.75 1.67 -0.10 0.00 -0.52 0.00 0.00 55.73 57.53 3mbq s ARG 76 Cb -0.27 -3.40 0.05 0.00 0.52 0.00 0.00 34.95 31.85 3mbq s ARG 76 CO 0.31 -0.23 1.64 0.66 0.02 0.00 0.00 175.30 177.70 3mbq h SER 77 N 6.87 0.97 -0.23 0.23 4.64 -1.95 -2.73 113.55 121.35 3mbq h SER 77 Ca -0.41 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 60.61 3mbq h SER 77 Cb 1.21 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3mbq h SER 77 CO 0.80 1.02 0.08 1.23 -0.87 0.00 0.00 176.83 179.09 3mbq h GLY 78 N 0.89 0.38 1.56 -0.77 0.00 -1.97 -0.84 103.07 102.31 3mbq h GLY 78 Ca 0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3mbq h GLY 78 CO 0.02 0.21 -0.13 1.41 0.00 0.00 0.00 176.54 178.05 3mbq h LEU 79 N 0.20 0.52 -0.06 3.11 3.38 -1.87 0.52 115.31 121.11 3mbq h LEU 79 Ca 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3mbq h LEU 79 Cb 0.22 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3mbq h LEU 79 CO -0.00 0.67 0.01 0.00 0.09 0.00 0.00 178.44 179.21 3mbq h ALA 80 N 1.38 0.08 0.60 1.53 0.00 -1.15 -1.00 119.26 120.69 3mbq h ALA 80 Ca 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3mbq h ALA 80 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3mbq h ALA 80 CO 0.03 -0.29 -0.29 0.35 0.00 0.00 0.00 179.25 179.05 3mbq h PHE 81 N -0.14 -0.75 -0.55 0.00 3.57 -0.99 -1.16 116.94 116.93 3mbq h PHE 81 Ca 0.02 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3mbq h PHE 81 Cb 0.26 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3mbq h PHE 81 CO 0.01 -0.41 0.07 0.87 -2.23 0.00 0.00 178.31 176.62 3mbq h LYS 82 N -1.01 0.92 0.00 1.11 1.79 -0.94 -3.37 116.57 115.07 3mbq h LYS 82 Ca -0.08 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 3mbq h LYS 82 Cb 0.67 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3mbq h LYS 82 CO 0.14 0.90 0.00 0.09 -1.08 0.00 0.00 179.45 179.49 3mbq n ASN 83 N -4.34 0.20 -0.24 0.86 4.13 -0.45 -5.02 115.26 110.41 3mbq n ASN 83 Ca 0.02 -0.56 -0.03 0.00 1.68 0.00 0.00 54.58 55.69 3mbq n ASN 83 Cb 0.28 0.64 -0.01 0.00 -1.54 0.00 0.00 39.78 39.15 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 0.64 0.62 3.81 7.41 0.00 -0.44 -3.88 105.19 113.35 3mbq n GLY 84 Ca 0.00 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.12 4.90 0.33 -0.61 -1.09 -1.12 -0.63 121.20 120.87 3mbq s ILE 85 Ca 0.00 1.05 -0.03 0.00 -2.23 0.00 0.00 60.65 59.44 3mbq s ILE 85 Cb 0.00 -3.82 -0.00 0.00 -1.58 0.00 0.00 42.46 37.06 3mbq s ILE 85 CO 0.00 0.54 0.44 0.28 -1.23 0.00 0.00 174.94 174.97 3mbq s THR 86 N -0.88 0.00 -0.23 2.92 -1.32 -0.66 -2.91 115.64 112.56 3mbq s THR 86 Ca 0.27 -1.63 -0.18 0.00 -1.21 0.00 0.00 61.69 58.94 3mbq s THR 86 Cb -0.18 -2.59 -0.03 0.00 -1.51 0.00 0.00 72.50 68.19 3mbq s THR 86 CO 0.16 0.00 0.52 0.00 -2.21 0.00 0.00 174.62 173.09 3mbq h LEU 88 N 8.31 0.83 -3.85 0.00 5.85 -1.40 -2.89 115.31 122.15 3mbq h LEU 88 Ca -0.31 -0.37 -0.52 0.00 0.84 0.00 0.00 57.88 57.52 3mbq h LEU 88 Cb 1.15 -0.23 -0.28 0.00 0.37 0.00 0.00 40.66 41.67 3mbq h LEU 88 CO 0.73 1.11 0.67 -0.46 -0.34 0.00 0.00 178.44 180.15 3mbq n ASN 89 N -4.05 4.92 -4.77 1.25 6.94 -1.26 -5.00 115.26 113.29 3mbq n ASN 89 Ca -0.02 -3.53 -0.38 0.00 -0.02 0.00 0.00 54.58 50.63 3mbq n ASN 89 Cb 0.52 -0.87 -0.01 0.00 -2.36 0.00 0.00 39.78 37.07 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 -3.46 2.91 0.16 5.53 -1.32 -1.09 -2.87 115.64 115.49 3mbq s THR 90 Ca 0.54 0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 61.46 3mbq s THR 90 Cb 0.45 -3.40 -0.07 0.00 -1.51 0.00 0.00 72.50 67.97 3mbq s THR 90 CO 0.07 0.04 1.10 -2.16 -2.21 0.00 0.00 174.62 171.45 3mbq s PRO 91 N -2.50 4.58 0.25 7.08 0.04 -1.26 -5.09 135.00 138.11 3mbq s PRO 91 Ca 0.61 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 3mbq s PRO 91 Cb -0.32 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 30.83 3mbq s PRO 91 CO 0.40 0.05 1.10 0.20 0.04 0.00 0.00 177.00 178.80 3mbq s GLY 92 N 0.01 3.00 -0.34 0.56 0.00 0.23 -4.76 107.32 106.03 3mbq s GLY 92 Ca 0.50 0.88 -0.09 0.00 0.00 0.00 0.00 44.72 46.01 3mbq s GLY 92 CO 0.34 1.55 0.14 -1.59 0.00 0.00 0.00 173.10 173.55 3mbq s THR 93 N -0.90 4.23 -0.30 0.90 2.01 -1.26 -0.78 115.64 119.53 3mbq s THR 93 Ca 0.46 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 3mbq s THR 93 Cb -0.31 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3mbq s THR 93 CO 0.39 -0.11 0.21 -0.63 -0.69 0.00 0.00 174.62 173.79 3mbq s ILE 94 N 1.51 5.27 0.42 1.82 -1.09 0.02 -5.01 121.20 124.15 3mbq s ILE 94 Ca 0.01 0.01 -0.21 0.00 -2.23 0.00 0.00 60.65 58.24 3mbq s ILE 94 Cb -0.19 -3.59 -0.11 0.00 -1.58 0.00 0.00 42.46 37.00 3mbq s ILE 94 CO 0.05 0.15 0.94 -1.81 -1.23 0.00 0.00 174.94 173.04 3mbq s ASP 95 N 1.74 6.96 0.66 3.58 1.01 -1.26 -2.09 116.67 127.26 3mbq s ASP 95 Ca 0.07 1.69 0.44 0.00 0.71 0.00 0.00 52.55 55.45 3mbq s ASP 95 Cb -0.17 -2.54 2.34 0.00 1.01 0.00 0.00 42.92 43.57 3mbq s ASP 95 CO 0.11 -0.34 2.34 0.77 0.21 0.00 0.00 175.17 178.25 3mbq h SER 96 N 1.98 0.00 1.30 0.27 4.64 -1.80 -0.78 113.55 119.16 3mbq h SER 96 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3mbq h SER 96 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3mbq h SER 96 CO 0.61 0.00 -0.61 -0.78 -0.87 0.00 0.00 176.83 175.18 3mbq h ASP 97 N 0.00 0.00 -3.34 4.97 -0.00 -1.92 -3.38 116.42 112.74 3mbq h ASP 97 Ca 0.00 -0.03 -0.55 0.00 -0.00 0.00 0.00 57.03 56.46 3mbq h ASP 97 Cb 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.35 3mbq h ASP 97 CO 0.00 0.01 0.45 -0.47 -0.00 0.00 0.00 179.24 179.24 3mbq s TYR 98 N -3.28 3.59 -0.11 0.28 5.04 -0.30 -4.93 117.35 117.64 3mbq s TYR 98 Ca 0.03 1.65 0.14 0.00 -2.44 0.00 0.00 57.07 56.45 3mbq s TYR 98 Cb 0.09 -3.16 0.27 0.00 0.35 0.00 0.00 41.96 39.52 3mbq s TYR 98 CO 0.74 -0.13 1.14 0.54 -1.34 0.00 0.00 175.55 176.49 3mbq n ARG 99 N 4.34 1.02 -2.49 4.97 5.12 -1.26 -4.69 116.66 123.66 3mbq n ARG 99 Ca 0.07 -2.40 -0.24 0.00 -1.93 0.00 0.00 57.85 53.35 3mbq n ARG 99 Cb 0.50 -1.23 0.12 0.00 -1.16 0.00 0.00 32.46 30.69 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 -2.54 1.76 0.27 -0.13 0.00 -1.26 -4.94 107.32 100.48 3mbq s GLY 100 Ca 0.27 -1.64 -0.29 0.00 0.00 0.00 0.00 44.72 43.06 3mbq s GLY 100 CO -0.01 -1.05 1.25 1.85 0.00 0.00 0.00 173.10 175.14 3mbq s GLU 101 N -5.25 4.45 -0.11 2.90 2.12 -1.26 -4.46 118.70 117.08 3mbq s GLU 101 Ca 0.67 2.04 -0.28 0.00 0.36 0.00 0.00 54.97 57.77 3mbq s GLU 101 Cb -0.05 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 3mbq s GLU 101 CO 0.45 -0.10 0.93 0.08 -0.54 0.00 0.00 175.26 176.08 3mbq s VAL 102 N -0.72 4.84 0.03 3.70 1.01 0.03 -5.01 120.40 124.28 3mbq s VAL 102 Ca 0.50 1.87 0.06 0.00 0.00 0.00 0.00 61.98 64.41 3mbq s VAL 102 Cb -0.36 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 3mbq s VAL 102 CO 0.45 0.05 -0.17 -0.54 0.00 0.00 0.00 175.10 174.88 3mbq s LYS 103 N 1.86 1.20 -0.23 2.72 1.02 -1.26 -2.34 119.74 122.71 3mbq s LYS 103 Ca 0.45 -0.78 -0.06 0.00 0.02 0.00 0.00 55.97 55.59 3mbq s LYS 103 Cb -0.18 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 3mbq s LYS 103 CO 0.17 0.32 0.04 0.08 -0.92 0.00 0.00 175.35 175.04 3mbq s VAL 104 N -0.71 4.10 -0.64 3.17 1.01 0.18 -4.87 120.40 122.64 3mbq s VAL 104 Ca 0.05 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 3mbq s VAL 104 Cb -0.08 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.49 3mbq s VAL 104 CO 0.01 0.38 0.91 -0.22 0.00 0.00 0.00 175.10 176.18 3mbq s LEU 105 N 1.40 4.60 0.11 3.92 2.96 -1.26 -0.13 118.68 130.28 3mbq s LEU 105 Ca 0.05 -1.09 -0.14 0.00 -0.22 0.00 0.00 54.13 52.73 3mbq s LEU 105 Cb -0.15 -2.39 -0.07 0.00 0.50 0.00 0.00 46.19 44.08 3mbq s LEU 105 CO 0.02 -1.37 0.52 -0.76 -1.32 0.00 0.00 176.35 173.44 3mbq s LEU 106 N 3.77 4.38 -0.03 -0.68 1.43 -0.31 -1.03 118.68 126.21 3mbq s LEU 106 Ca 0.20 1.06 0.04 0.00 -1.03 0.00 0.00 54.13 54.39 3mbq s LEU 106 Cb -0.18 -3.11 -0.00 0.00 0.03 0.00 0.00 46.19 42.92 3mbq s LEU 106 CO 0.09 0.16 -0.14 -0.51 0.23 0.00 0.00 176.35 176.18 3mbq s ILE 107 N -1.37 1.16 -0.56 -0.59 2.07 0.13 -1.11 121.20 120.94 3mbq s ILE 107 Ca 0.34 -0.59 -0.19 0.00 -1.41 0.00 0.00 60.65 58.80 3mbq s ILE 107 Cb -0.16 -0.99 0.08 0.00 0.13 0.00 0.00 42.46 41.52 3mbq s ILE 107 CO 0.18 0.34 0.70 0.21 -1.91 0.00 0.00 174.94 174.46 3mbq s ASN 108 N -0.07 6.21 -0.22 4.50 3.84 -0.65 -1.65 114.94 126.89 3mbq s ASN 108 Ca 0.00 -1.12 0.15 0.00 0.21 0.00 0.00 52.86 52.10 3mbq s ASN 108 Cb -0.08 -2.31 0.73 0.00 -0.55 0.00 0.00 41.25 39.04 3mbq s ASN 108 CO 0.01 -1.04 1.65 0.18 -2.79 0.00 0.00 177.10 175.10 3mbq n LEU 109 N 6.40 5.15 0.00 3.21 4.77 0.20 0.29 117.00 137.02 3mbq n LEU 109 Ca -0.07 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 3mbq n LEU 109 Cb 0.44 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3mbq n LEU 109 CO 0.57 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 3mbq n GLY 110 N 0.26 3.21 0.49 -0.72 0.00 -1.20 -4.89 105.19 102.33 3mbq n GLY 110 Ca 0.26 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.54 2.65 -4.95 1.61 8.00 -1.26 -4.42 116.55 116.65 3mbq n ASP 111 Ca 0.00 -1.96 -0.23 0.00 0.71 0.00 0.00 54.79 53.31 3mbq n ASP 111 Cb 0.00 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 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 -0.98 6.28 -0.73 -2.24 1.01 -1.26 -4.87 116.67 113.87 3mbq s ASP 112 Ca 0.17 0.10 -0.25 0.00 0.71 0.00 0.00 52.55 53.28 3mbq s ASP 112 Cb 0.09 -1.85 0.05 0.00 1.01 0.00 0.00 42.92 42.21 3mbq s ASP 112 CO 0.12 -0.01 1.19 -1.81 0.21 0.00 0.00 175.17 174.87 3mbq s ASP 113 N -3.63 6.19 -0.22 0.27 1.01 -1.26 -4.10 116.67 114.93 3mbq s ASP 113 Ca 0.34 -0.70 -0.21 0.00 0.71 0.00 0.00 52.55 52.69 3mbq s ASP 113 Cb -0.10 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 3mbq s ASP 113 CO 0.28 -1.69 0.66 0.12 0.21 0.00 0.00 175.17 174.76 3mbq s PHE 114 N 5.13 3.33 -0.12 4.23 5.36 -0.78 -4.86 117.98 130.27 3mbq s PHE 114 Ca 0.32 0.92 -0.22 0.00 -0.96 0.00 0.00 56.93 56.98 3mbq s PHE 114 Cb -0.10 -2.85 -0.03 0.00 -0.34 0.00 0.00 43.02 39.70 3mbq s PHE 114 CO 0.12 -0.26 0.66 0.50 -1.46 0.00 0.00 175.22 174.78 3mbq s ARG 115 N 2.25 4.35 -0.19 10.12 3.52 -1.26 -0.46 118.95 137.28 3mbq s ARG 115 Ca 0.29 0.75 -0.05 0.00 -0.13 0.00 0.00 55.73 56.59 3mbq s ARG 115 Cb -0.16 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3mbq s ARG 115 CO 0.09 -0.04 0.00 0.42 -0.81 0.00 0.00 175.30 174.96 3mbq s ILE 116 N 1.21 4.08 0.13 4.11 1.01 0.09 -4.99 121.20 126.84 3mbq s ILE 116 Ca 0.33 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.78 3mbq s ILE 116 Cb -0.17 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3mbq s ILE 116 CO 0.14 0.44 -0.18 -1.61 0.00 0.00 0.00 174.94 173.73 3mbq s GLU 117 N 0.78 1.15 0.15 2.79 2.02 -1.26 -1.66 118.70 122.67 3mbq s GLU 117 Ca 0.01 -1.27 -0.34 0.00 0.02 0.00 0.00 54.97 53.39 3mbq s GLU 117 Cb -0.14 -1.23 -0.15 0.00 0.10 0.00 0.00 34.13 32.71 3mbq s GLU 117 CO 0.02 0.26 1.43 -2.13 0.02 0.00 0.00 175.26 174.86 3mbq n ARG 118 N 0.65 1.71 0.00 1.61 0.63 -1.26 -1.62 116.66 118.39 3mbq n ARG 118 Ca -0.16 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 3mbq n ARG 118 Cb 0.56 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.17 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 2.77 1.85 3.75 5.14 0.00 0.53 -4.97 105.19 114.26 3mbq n GLY 119 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3mbq n GLY 119 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3mbq s MET 120 N -0.74 4.20 -0.02 1.61 0.00 -0.64 -4.62 119.30 119.09 3mbq s MET 120 Ca 0.00 2.44 -0.30 0.00 0.00 0.00 0.00 55.69 57.83 3mbq s MET 120 Cb 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 34.83 31.73 3mbq s MET 120 CO 0.00 -0.50 1.32 1.03 0.00 0.00 0.00 175.02 176.87 3mbq s ARG 121 N -0.80 4.31 0.00 4.11 0.52 -1.26 -0.57 118.95 125.27 3mbq s ARG 121 Ca 0.59 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 3mbq s ARG 121 Cb -0.45 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.47 3mbq s ARG 121 CO 0.49 -0.51 0.00 0.44 0.02 0.00 0.00 175.30 175.73 3mbq n ILE 122 N 4.61 0.00 -3.87 1.52 -5.35 0.12 -4.95 119.36 111.44 3mbq n ILE 122 Ca 0.12 -0.46 -0.01 0.00 -0.27 0.00 0.00 62.75 62.13 3mbq n ILE 122 Cb 0.45 0.99 0.01 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.96 -1.91 0.00 -1.28 0.00 -1.22 -4.44 121.76 111.96 3mbq s ALA 123 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.91 3mbq s ALA 123 Cb 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 3mbq s ALA 123 CO 0.00 -1.08 -0.10 1.14 0.00 0.00 0.00 175.76 175.71 3mbq s GLN 124 N -2.26 0.79 -0.21 0.00 -2.07 0.03 -1.55 119.66 114.39 3mbq s GLN 124 Ca 0.22 -0.43 -0.09 0.00 -1.82 0.00 0.00 55.36 53.24 3mbq s GLN 124 Cb -0.01 -0.76 -0.04 0.00 -1.09 0.00 0.00 33.01 31.11 3mbq s GLN 124 CO 0.02 0.20 0.11 0.00 -1.32 0.00 0.00 175.29 174.30 3mbq s ALA 125 N -0.39 3.51 -0.13 2.60 0.00 0.33 -0.29 121.76 127.40 3mbq s ALA 125 Ca 0.03 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.19 3mbq s ALA 125 Cb -0.05 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 3mbq s ALA 125 CO -0.00 0.00 -0.19 0.08 0.00 0.00 0.00 175.76 175.65 3mbq s VAL 126 N 0.68 2.42 -0.20 0.00 1.01 -0.09 -1.36 120.40 122.86 3mbq s VAL 126 Ca 0.06 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 3mbq s VAL 126 Cb -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3mbq s VAL 126 CO 0.01 0.54 0.57 0.12 0.00 0.00 0.00 175.10 176.34 3mbq s PHE 127 N 0.55 3.37 -0.00 5.22 2.19 -1.26 -0.10 117.98 127.95 3mbq s PHE 127 Ca -0.12 0.84 -0.03 0.00 0.33 0.00 0.00 56.93 57.95 3mbq s PHE 127 Cb -0.16 -2.73 -0.00 0.00 -1.31 0.00 0.00 43.02 38.81 3mbq s PHE 127 CO 0.04 -0.13 0.06 0.00 1.83 0.00 0.00 175.22 177.02 3mbq s ALA 128 N 1.76 -0.14 0.60 11.12 0.00 -0.18 -4.99 121.76 129.94 3mbq s ALA 128 Ca 0.26 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 3mbq s ALA 128 Cb -0.16 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3mbq s ALA 128 CO 0.10 -0.13 1.13 -1.25 0.00 0.00 0.00 175.76 175.61 3mbq s PRO 129 N -0.88 3.03 0.00 0.00 0.04 -1.26 -0.53 135.00 135.40 3mbq s PRO 129 Ca -0.10 1.55 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 3mbq s PRO 129 Cb -0.06 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3mbq s PRO 129 CO 0.00 -1.10 0.15 0.54 0.04 0.00 0.00 177.00 176.64 3mbq s VAL 130 N -1.99 0.08 0.01 -0.36 0.11 -0.22 -4.78 120.40 113.25 3mbq s VAL 130 Ca 0.71 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 3mbq s VAL 130 Cb -0.23 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3mbq s VAL 130 CO 0.34 -0.38 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.95 3mbq s ILE 131 N -1.48 1.20 -0.57 7.04 1.01 -1.26 -4.46 121.20 122.69 3mbq s ILE 131 Ca -0.14 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 3mbq s ILE 131 Cb -0.07 -1.03 0.14 0.00 0.01 0.00 0.00 42.46 41.51 3mbq s ILE 131 CO 0.01 0.24 0.52 -1.10 0.00 0.00 0.00 174.94 174.61 3mbq s GLN 132 N -0.62 3.03 0.74 2.79 -0.21 -1.26 -5.08 119.66 119.05 3mbq s GLN 132 Ca 0.05 -1.79 -0.11 0.00 0.02 0.00 0.00 55.36 53.53 3mbq s GLN 132 Cb -0.07 -4.30 0.04 0.00 1.00 0.00 0.00 33.01 29.69 3mbq s GLN 132 CO 0.00 -1.32 1.09 -1.25 -2.12 0.00 0.00 175.29 171.69 3mbq s PRO 133 N 1.45 2.44 0.19 2.91 0.04 -1.26 -4.98 135.00 135.79 3mbq s PRO 133 Ca 0.05 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.94 3mbq s PRO 133 Cb -0.28 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 3mbq s PRO 133 CO 0.02 -1.50 1.51 0.21 0.04 0.00 0.00 177.00 177.27 3mbq s LYS 134 N -4.82 4.24 -0.30 4.56 2.20 -1.26 -4.99 119.74 119.38 3mbq s LYS 134 Ca 0.61 2.32 -0.11 0.00 -0.36 0.00 0.00 55.97 58.44 3mbq s LYS 134 Cb -0.17 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3mbq s LYS 134 CO 0.54 -0.53 0.17 0.42 -0.36 0.00 0.00 175.35 175.60 3mbq s ILE 135 N 0.73 5.00 -0.16 5.43 1.01 -1.26 -5.06 121.20 126.89 3mbq s ILE 135 Ca 0.66 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.22 3mbq s ILE 135 Cb -0.43 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.61 3mbq s ILE 135 CO 0.36 0.17 -0.16 -0.70 0.00 0.00 0.00 174.94 174.60 3mbq s GLU 136 N 1.70 2.55 0.20 2.79 2.12 -1.26 -5.10 118.70 121.70 3mbq s GLU 136 Ca 0.06 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 3mbq s GLU 136 Cb -0.16 -2.28 -0.08 0.00 0.26 0.00 0.00 34.13 31.86 3mbq s GLU 136 CO 0.09 -0.23 0.93 -2.00 -0.54 0.00 0.00 175.26 173.51 3mbq s GLU 137 N 1.41 4.80 0.09 4.30 2.12 -1.26 -5.04 118.70 125.12 3mbq s GLU 137 Ca 0.05 1.46 0.01 0.00 0.36 0.00 0.00 54.97 56.85 3mbq s GLU 137 Cb -0.13 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 3mbq s GLU 137 CO -0.12 0.45 -0.06 1.03 -0.54 0.00 0.00 175.26 176.02 3mbq s ARG 138 N -0.89 0.79 0.00 4.30 0.52 -1.26 -5.34 118.95 117.06 3mbq s ARG 138 Ca 0.42 -1.29 0.07 0.00 -0.52 0.00 0.00 55.73 54.41 3mbq s ARG 138 Cb -0.25 -0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.13 3mbq s ARG 138 CO 0.31 -0.03 0.72 0.00 0.02 0.00 0.00 175.30 176.32