#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ejm s SER 2 N 0.00 2.74 -0.02 1.61 0.01 -1.26 -4.82 113.70 111.96 2ejm s SER 2 Ca 0.00 -0.60 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 2ejm s SER 2 Cb 0.00 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 2ejm s SER 2 CO 0.00 0.16 0.47 -0.55 0.41 0.00 0.00 173.24 173.73 2ejm s SER 3 N -1.47 6.83 0.00 2.44 0.15 -1.26 -4.79 113.70 115.60 2ejm s SER 3 Ca 0.09 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2ejm s SER 3 Cb -0.09 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2ejm s SER 3 CO 0.03 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2ejm n GLY 4 N 2.29 0.78 2.10 9.45 0.00 -1.26 -5.09 105.19 113.46 2ejm n GLY 4 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2ejm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ejm n SER 5 N 0.00 -1.81 -4.55 1.61 2.88 -1.26 -5.04 113.62 105.45 2ejm n SER 5 Ca 0.00 0.58 -0.34 0.00 -1.33 0.00 0.00 58.87 57.78 2ejm n SER 5 Cb 0.00 1.82 -0.04 0.00 -0.75 0.00 0.00 64.21 65.24 2ejm n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ejm s SER 6 N -3.56 5.02 0.15 -3.46 0.15 -1.26 -4.92 113.70 105.83 2ejm s SER 6 Ca 0.00 0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.90 2ejm s SER 6 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2ejm s SER 6 CO 0.00 -2.63 0.11 0.61 1.20 0.00 0.00 173.24 172.53 2ejm n GLY 7 N 6.05 3.03 3.59 9.45 0.00 -1.26 -5.10 105.19 120.95 2ejm n GLY 7 Ca 0.29 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2ejm n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ejm s VAL 8 N -0.80 5.22 0.00 1.61 0.11 -1.26 -4.96 120.40 120.32 2ejm s VAL 8 Ca 0.08 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 2ejm s VAL 8 Cb -0.01 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 2ejm s VAL 8 CO 0.05 0.15 0.00 -0.24 -3.33 0.00 0.00 175.10 171.74 2ejm n SER 9 N 5.25 0.00 -2.93 3.54 2.88 -1.26 -5.07 113.62 116.03 2ejm n SER 9 Ca -0.10 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.43 2ejm n SER 9 Cb 0.51 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 2ejm n SER 9 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ejm n SER 10 N 0.00 -6.38 -4.82 -3.46 7.64 -1.26 -5.01 113.62 100.33 2ejm n SER 10 Ca 0.00 0.97 -0.22 0.00 1.01 0.00 0.00 58.87 60.63 2ejm n SER 10 Cb 0.00 -3.38 -0.04 0.00 -1.01 0.00 0.00 64.21 59.78 2ejm n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ejm s GLN 11 N -1.03 2.49 0.15 1.43 -2.07 -1.26 -5.00 119.66 114.37 2ejm s GLN 11 Ca -0.04 -1.55 0.00 0.00 -1.82 0.00 0.00 55.36 51.95 2ejm s GLN 11 Cb 0.00 -2.29 0.00 0.00 -1.09 0.00 0.00 33.01 29.63 2ejm s GLN 11 CO 0.38 -0.08 0.00 -1.91 -1.32 0.00 0.00 175.29 172.36 2ejm n GLU 12 N -1.39 0.00 -4.25 9.60 2.13 -1.26 -5.15 120.64 120.32 2ejm n GLU 12 Ca 0.01 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 2ejm n GLU 12 Cb 0.62 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.21 2ejm n GLU 12 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2ejm s THR 13 N -2.00 1.47 -0.04 6.31 -1.32 -1.26 -5.14 115.64 113.66 2ejm s THR 13 Ca 0.00 -1.60 -0.02 0.00 -1.21 0.00 0.00 61.69 58.87 2ejm s THR 13 Cb 0.00 -1.48 0.03 0.00 -1.51 0.00 0.00 72.50 69.55 2ejm s THR 13 CO 0.00 -0.24 0.07 -1.58 -2.21 0.00 0.00 174.62 170.66 2ejm s GLN 14 N -2.23 -0.03 0.00 7.08 0.74 -1.26 -5.00 119.66 118.96 2ejm s GLN 14 Ca 0.07 0.35 0.00 0.00 0.05 0.00 0.00 55.36 55.82 2ejm s GLN 14 Cb -0.08 -0.36 0.00 0.00 1.10 0.00 0.00 33.01 33.67 2ejm s GLN 14 CO 0.04 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 2ejm n GLY 15 N 4.86 0.47 0.00 2.59 0.00 -1.26 -5.09 105.19 106.76 2ejm n GLY 15 Ca -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2ejm n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ejm n GLY 16 N 0.00 3.84 3.81 -0.02 0.00 -1.26 -4.27 105.19 107.29 2ejm n GLY 16 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 2ejm n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ejm s PRO 17 N -3.47 2.41 -0.11 1.61 0.04 -1.24 -4.96 135.00 129.29 2ejm s PRO 17 Ca 0.00 0.76 0.03 0.00 0.04 0.00 0.00 61.00 61.83 2ejm s PRO 17 Cb 0.00 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.60 2ejm s PRO 17 CO 0.00 -1.42 -0.19 -0.51 0.04 0.00 0.00 177.00 174.92 2ejm s LEU 18 N -5.69 1.92 0.20 -3.56 1.43 -1.26 -2.94 118.68 108.79 2ejm s LEU 18 Ca 0.60 -0.50 -0.31 0.00 -1.03 0.00 0.00 54.13 52.89 2ejm s LEU 18 Cb -0.14 -1.25 -0.16 0.00 0.03 0.00 0.00 46.19 44.68 2ejm s LEU 18 CO 0.55 0.08 1.01 0.00 0.23 0.00 0.00 176.35 178.22 2ejm n ALA 19 N 3.92 -1.13 0.37 4.21 0.00 -0.22 -4.77 120.51 122.88 2ejm n ALA 19 Ca -0.20 0.45 0.14 0.00 0.00 0.00 0.00 53.44 53.83 2ejm n ALA 19 Cb 0.52 -1.94 0.44 0.00 0.00 0.00 0.00 19.45 18.47 2ejm n ALA 19 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ejm h PRO 20 N 2.60 0.00 0.00 0.00 0.13 -1.93 -2.65 132.00 130.15 2ejm h PRO 20 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2ejm h PRO 20 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2ejm h PRO 20 CO 0.65 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 2ejm n MET 21 N -2.72 0.00 -1.56 0.86 0.00 -1.26 -4.89 117.12 107.55 2ejm n MET 21 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.31 2ejm n MET 21 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.56 2ejm n MET 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2ejm n THR 22 N -0.07 0.18 -3.63 3.17 -1.04 -1.26 -4.55 114.28 107.09 2ejm n THR 22 Ca 0.00 -0.52 -0.01 0.00 -2.04 0.00 0.00 64.05 61.48 2ejm n THR 22 Cb 0.00 -2.43 -0.00 0.00 -1.82 0.00 0.00 70.33 66.07 2ejm n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ejm n GLY 23 N 5.99 3.13 3.21 3.41 0.00 -1.21 -4.68 105.19 115.05 2ejm n GLY 23 Ca 0.35 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 2ejm n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ejm s THR 24 N -2.43 1.75 -0.53 2.61 2.01 -0.32 -1.69 115.64 117.03 2ejm s THR 24 Ca 0.02 -0.91 -0.27 0.00 0.31 0.00 0.00 61.69 60.83 2ejm s THR 24 Cb -0.00 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 2ejm s THR 24 CO 0.01 0.49 1.67 -0.63 -0.69 0.00 0.00 174.62 175.48 2ejm s ILE 25 N -0.18 3.55 0.04 1.82 -1.09 -0.60 0.64 121.20 125.38 2ejm s ILE 25 Ca -0.01 0.45 -0.18 0.00 -2.23 0.00 0.00 60.65 58.69 2ejm s ILE 25 Cb -0.12 -4.08 -0.20 0.00 -1.58 0.00 0.00 42.46 36.49 2ejm s ILE 25 CO 0.02 -0.91 1.19 -0.08 -1.23 0.00 0.00 174.94 173.94 2ejm h GLU 26 N 12.93 0.53 -4.88 2.79 4.57 0.19 1.55 114.58 132.26 2ejm h GLU 26 Ca -0.28 -0.48 -0.31 0.00 -1.18 0.00 0.00 59.36 57.11 2ejm h GLU 26 Cb 1.14 0.12 -0.15 0.00 -0.16 0.00 0.00 28.75 29.69 2ejm h GLU 26 CO 1.16 1.11 -0.67 0.15 -1.18 0.00 0.00 179.01 179.59 2ejm s LYS 27 N -3.51 1.15 -0.32 1.92 -0.14 -1.09 -4.50 119.74 113.25 2ejm s LYS 27 Ca -0.12 -1.55 -0.00 0.00 -1.36 0.00 0.00 55.97 52.93 2ejm s LYS 27 Cb 0.05 -0.37 0.13 0.00 -1.68 0.00 0.00 37.83 35.96 2ejm s LYS 27 CO 0.84 -0.10 0.26 0.08 -0.76 0.00 0.00 175.35 175.67 2ejm s VAL 28 N -3.57 -0.22 -0.82 3.17 1.01 -1.26 -1.33 120.40 117.36 2ejm s VAL 28 Ca 0.24 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2ejm s VAL 28 Cb 0.06 -0.94 0.31 0.00 0.00 0.00 0.00 36.38 35.81 2ejm s VAL 28 CO 0.04 -0.64 2.10 0.49 0.00 0.00 0.00 175.10 177.10 2ejm n PHE 29 N 4.85 2.81 -3.84 5.22 3.72 0.20 -4.92 117.46 125.51 2ejm n PHE 29 Ca 0.02 -2.30 -0.10 0.00 -0.05 0.00 0.00 57.45 55.03 2ejm n PHE 29 Cb 0.44 -1.22 -0.01 0.00 -0.94 0.00 0.00 39.48 37.74 2ejm n PHE 29 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2ejm n VAL 30 N -0.33 0.00 -3.66 -4.37 0.24 -1.23 -4.65 118.33 104.33 2ejm n VAL 30 Ca 0.53 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 2ejm n VAL 30 Cb 0.27 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 2ejm n VAL 30 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2ejm n LYS 31 N -0.41 0.00 -3.63 7.34 -0.00 -1.26 -5.09 118.16 115.12 2ejm n LYS 31 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.94 2ejm n LYS 31 Cb 0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.39 2ejm n LYS 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ejm s ALA 32 N -1.00 3.76 -1.52 0.58 0.00 -1.26 -4.03 121.76 118.29 2ejm s ALA 32 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2ejm s ALA 32 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2ejm s ALA 32 CO 0.00 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.73 2ejm n GLY 33 N 1.44 1.37 3.95 0.00 0.00 0.13 -4.99 105.19 107.09 2ejm n GLY 33 Ca -0.13 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 2ejm n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ejm s ASP 34 N -2.81 6.15 0.01 1.61 2.15 -1.22 -4.93 116.67 117.64 2ejm s ASP 34 Ca 0.00 0.30 0.07 0.00 0.43 0.00 0.00 52.55 53.35 2ejm s ASP 34 Cb 0.00 -1.81 -0.03 0.00 -0.30 0.00 0.00 42.92 40.78 2ejm s ASP 34 CO 0.00 -0.38 -0.21 -0.54 -0.17 0.00 0.00 175.17 173.87 2ejm s LYS 35 N -4.32 2.09 0.07 4.34 3.01 -1.26 -1.65 119.74 122.02 2ejm s LYS 35 Ca 0.42 -0.95 -0.05 0.00 -1.01 0.00 0.00 55.97 54.38 2ejm s LYS 35 Cb -0.10 -2.14 -0.02 0.00 -1.01 0.00 0.00 37.83 34.56 2ejm s LYS 35 CO 0.35 0.55 0.08 0.14 0.51 0.00 0.00 175.35 176.99 2ejm s VAL 36 N -0.79 0.18 -0.12 3.17 -7.23 -1.21 -4.99 120.40 109.41 2ejm s VAL 36 Ca 0.12 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2ejm s VAL 36 Cb -0.10 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 2ejm s VAL 36 CO 0.02 -0.82 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.43 2ejm s LYS 37 N -3.89 3.36 -0.50 4.82 3.01 -1.26 -3.81 119.74 121.47 2ejm s LYS 37 Ca 0.06 -0.47 -0.45 0.00 -1.01 0.00 0.00 55.97 54.10 2ejm s LYS 37 Cb 0.06 -2.86 -0.19 0.00 -1.01 0.00 0.00 37.83 33.83 2ejm s LYS 37 CO -0.11 0.45 1.98 0.00 0.51 0.00 0.00 175.35 178.18 2ejm n ALA 38 N 2.92 -0.24 -0.30 5.17 0.00 -1.26 -1.58 120.51 125.22 2ejm n ALA 38 Ca -0.18 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2ejm n ALA 38 Cb 0.53 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2ejm n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ejm n GLY 39 N 6.44 0.77 3.55 0.00 0.00 -1.16 -4.93 105.19 109.85 2ejm n GLY 39 Ca 0.48 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 2ejm n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ejm s ASP 40 N -1.75 4.35 -1.07 1.61 1.11 -0.61 -4.80 116.67 115.51 2ejm s ASP 40 Ca 0.00 -0.21 -0.23 0.00 0.18 0.00 0.00 52.55 52.29 2ejm s ASP 40 Cb 0.00 -0.94 -0.05 0.00 1.07 0.00 0.00 42.92 43.00 2ejm s ASP 40 CO 0.00 0.29 1.89 -0.94 1.18 0.00 0.00 175.17 177.59 2ejm s SER 41 N -1.31 5.30 0.00 0.27 1.04 -1.26 -1.81 113.70 115.93 2ejm s SER 41 Ca 0.16 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2ejm s SER 41 Cb -0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2ejm s SER 41 CO 0.06 -2.70 0.86 0.18 0.98 0.00 0.00 173.24 172.62 2ejm n LEU 42 N 13.43 0.00 -4.41 2.42 4.77 -0.87 -4.51 117.00 127.82 2ejm n LEU 42 Ca 0.42 0.86 -0.23 0.00 -0.03 0.00 0.00 56.01 57.04 2ejm n LEU 42 Cb 0.47 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2ejm n LEU 42 CO 0.65 -0.36 -0.16 -0.04 -1.33 0.00 0.00 177.39 176.14 2ejm s MET 43 N -2.46 1.83 -0.06 3.23 -1.94 -1.25 0.60 119.30 119.26 2ejm s MET 43 Ca 0.00 -2.09 0.04 0.00 -1.71 0.00 0.00 55.69 51.92 2ejm s MET 43 Cb 0.00 -0.20 0.00 0.00 2.01 0.00 0.00 34.83 36.64 2ejm s MET 43 CO 0.00 -0.55 -0.17 0.08 -0.01 0.00 0.00 175.02 174.38 2ejm s VAL 44 N -3.34 1.45 0.34 -6.03 1.01 -0.44 -1.71 120.40 111.67 2ejm s VAL 44 Ca 0.31 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2ejm s VAL 44 Cb 0.03 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2ejm s VAL 44 CO 0.20 0.42 0.12 -0.04 0.00 0.00 0.00 175.10 175.79 2ejm s MET 45 N 0.27 2.33 -0.16 2.72 -1.94 0.17 0.20 119.30 122.88 2ejm s MET 45 Ca -0.09 -1.57 -0.03 0.00 -1.71 0.00 0.00 55.69 52.28 2ejm s MET 45 Cb -0.14 -2.14 0.05 0.00 2.01 0.00 0.00 34.83 34.62 2ejm s MET 45 CO 0.04 0.12 0.05 0.42 -0.01 0.00 0.00 175.02 175.64 2ejm s ILE 46 N -2.44 0.29 0.00 2.53 -1.09 0.21 -1.03 121.20 119.67 2ejm s ILE 46 Ca 0.37 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2ejm s ILE 46 Cb -0.02 -0.79 0.00 0.00 -1.58 0.00 0.00 42.46 40.07 2ejm s ILE 46 CO 0.22 -0.15 0.00 0.00 -1.23 0.00 0.00 174.94 173.78 2ejm n ALA 47 N 5.14 2.27 -2.49 9.38 0.00 -1.24 -1.18 120.51 132.40 2ejm n ALA 47 Ca -0.08 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 2ejm n ALA 47 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 2ejm n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2ejm n MET 48 N -1.97 4.97 -2.07 0.00 2.81 -1.26 -4.71 117.12 114.89 2ejm n MET 48 Ca 0.00 -4.24 -0.06 0.00 -1.81 0.00 0.00 57.70 51.59 2ejm n MET 48 Cb 0.00 -2.55 -0.01 0.00 -0.71 0.00 0.00 33.22 29.95 2ejm n MET 48 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ejm n LYS 49 N 0.88 -2.17 -4.29 0.03 4.76 -1.26 -4.88 118.16 111.23 2ejm n LYS 49 Ca 0.48 0.30 -0.23 0.00 -2.87 0.00 0.00 58.31 55.99 2ejm n LYS 49 Cb 0.27 -4.71 -0.12 0.00 -1.84 0.00 0.00 35.03 28.63 2ejm n LYS 49 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2ejm s MET 50 N -4.23 1.13 -0.22 1.97 -1.94 -1.26 -5.12 119.30 109.63 2ejm s MET 50 Ca 0.00 -1.20 -0.23 0.00 -1.71 0.00 0.00 55.69 52.55 2ejm s MET 50 Cb 0.00 -1.34 -0.01 0.00 2.01 0.00 0.00 34.83 35.49 2ejm s MET 50 CO 0.00 0.30 0.76 -1.21 -0.01 0.00 0.00 175.02 174.86 2ejm s GLU 51 N -2.08 4.20 -0.27 2.03 8.01 -1.26 -3.70 118.70 125.63 2ejm s GLU 51 Ca 0.08 0.83 -0.07 0.00 0.01 0.00 0.00 54.97 55.82 2ejm s GLU 51 Cb -0.09 -3.62 -0.01 0.00 -4.31 0.00 0.00 34.13 26.10 2ejm s GLU 51 CO 0.05 -0.41 0.06 -1.01 0.01 0.00 0.00 175.26 173.96 2ejm s HIS 52 N 2.48 3.10 -0.68 1.61 3.76 -0.20 -4.94 115.29 120.42 2ejm s HIS 52 Ca 0.33 -0.75 -0.21 0.00 -0.15 0.00 0.00 55.06 54.28 2ejm s HIS 52 Cb -0.16 -2.23 0.09 0.00 1.11 0.00 0.00 32.58 31.39 2ejm s HIS 52 CO 0.09 -0.49 0.90 0.99 -0.85 0.00 0.00 174.74 175.39 2ejm s THR 53 N 1.54 4.55 -0.77 1.30 2.01 -1.26 -0.66 115.64 122.35 2ejm s THR 53 Ca 0.04 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 2ejm s THR 53 Cb -0.16 -4.64 -0.02 0.00 0.01 0.00 0.00 72.50 67.69 2ejm s THR 53 CO 0.02 -1.36 1.84 -0.63 -0.69 0.00 0.00 174.62 173.80 2ejm s ILE 54 N 3.41 3.45 0.23 1.82 1.09 -0.69 -4.95 121.20 125.56 2ejm s ILE 54 Ca 0.20 -0.10 -0.30 0.00 -1.10 0.00 0.00 60.65 59.36 2ejm s ILE 54 Cb -0.17 -4.10 -0.09 0.00 -1.06 0.00 0.00 42.46 37.04 2ejm s ILE 54 CO 0.06 -1.05 0.94 -0.54 -0.10 0.00 0.00 174.94 174.25 2ejm s LYS 55 N 6.82 4.84 0.39 2.79 -0.14 -1.26 -2.06 119.74 131.11 2ejm s LYS 55 Ca 0.65 1.47 -0.27 0.00 -1.36 0.00 0.00 55.97 56.46 2ejm s LYS 55 Cb -0.09 -3.29 -0.11 0.00 -1.68 0.00 0.00 37.83 32.67 2ejm s LYS 55 CO 0.09 0.50 1.43 0.45 -0.76 0.00 0.00 175.35 177.05 2ejm n SER 56 N 1.61 3.44 0.21 2.83 2.88 -0.75 -4.86 113.62 118.98 2ejm n SER 56 Ca -0.02 1.20 0.09 0.00 -1.33 0.00 0.00 58.87 58.81 2ejm n SER 56 Cb 0.47 -1.58 0.32 0.00 -0.75 0.00 0.00 64.21 62.67 2ejm n SER 56 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2ejm h PRO 57 N 2.71 0.00 0.00 -1.46 0.13 -1.94 -3.08 132.00 128.36 2ejm h PRO 57 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 2ejm h PRO 57 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2ejm h PRO 57 CO 0.63 0.23 0.46 0.36 -0.23 0.00 0.00 178.00 179.44 2ejm n LYS 58 N -3.26 0.86 -3.14 0.86 2.85 -1.26 -4.89 118.16 110.18 2ejm n LYS 58 Ca 0.01 -1.79 -0.39 0.00 -1.05 0.00 0.00 58.31 55.09 2ejm n LYS 58 Cb 0.51 2.33 -0.06 0.00 -0.65 0.00 0.00 35.03 37.16 2ejm n LYS 58 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2ejm s ASP 59 N -3.28 7.20 0.00 -5.58 1.47 -1.26 -4.17 116.67 111.05 2ejm s ASP 59 Ca 0.20 1.42 0.00 0.00 1.18 0.00 0.00 52.55 55.35 2ejm s ASP 59 Cb -0.04 -2.42 0.00 0.00 -0.34 0.00 0.00 42.92 40.12 2ejm s ASP 59 CO 0.08 0.23 0.00 0.61 0.68 0.00 0.00 175.17 176.77 2ejm n GLY 60 N 1.74 0.95 3.46 2.12 0.00 -1.25 -4.94 105.19 107.27 2ejm n GLY 60 Ca -0.08 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2ejm n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ejm s THR 61 N -2.00 5.11 -0.38 2.61 2.01 -1.26 -3.33 115.64 118.40 2ejm s THR 61 Ca 0.00 -0.55 -0.43 0.00 0.31 0.00 0.00 61.69 61.02 2ejm s THR 61 Cb 0.00 -4.08 -0.18 0.00 0.01 0.00 0.00 72.50 68.26 2ejm s THR 61 CO 0.00 -0.49 1.69 0.52 -0.69 0.00 0.00 174.62 175.64 2ejm n VAL 62 N 5.38 0.17 0.09 3.82 0.31 -0.66 -0.77 118.33 126.67 2ejm n VAL 62 Ca -0.09 -0.03 -0.09 0.00 -0.01 0.00 0.00 64.34 64.12 2ejm n VAL 62 Cb 0.46 -0.91 -0.06 0.00 -0.91 0.00 0.00 33.84 32.42 2ejm n VAL 62 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2ejm h LYS 63 N 6.28 -0.29 -3.54 5.55 3.64 0.27 0.38 116.57 128.85 2ejm h LYS 63 Ca -0.45 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 2ejm h LYS 63 Cb 1.34 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 33.14 2ejm h LYS 63 CO 0.97 0.02 -0.07 0.15 -2.27 0.00 0.00 179.45 178.25 2ejm s LYS 64 N -3.18 1.50 -0.06 1.90 1.02 -1.24 -3.71 119.74 115.97 2ejm s LYS 64 Ca -0.10 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 54.80 2ejm s LYS 64 Cb 0.00 0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 37.79 2ejm s LYS 64 CO 0.36 -0.63 -0.21 0.08 -0.92 0.00 0.00 175.35 174.03 2ejm s VAL 65 N -3.98 1.75 -0.20 3.17 1.01 -1.26 -1.75 120.40 119.14 2ejm s VAL 65 Ca 0.18 -0.89 0.14 0.00 0.00 0.00 0.00 61.98 61.41 2ejm s VAL 65 Cb -0.01 -1.50 0.42 0.00 0.00 0.00 0.00 36.38 35.29 2ejm s VAL 65 CO 0.06 0.49 1.29 0.49 0.00 0.00 0.00 175.10 177.43 2ejm n PHE 66 N 3.13 0.41 -3.64 5.22 3.72 -1.16 -4.99 117.46 120.15 2ejm n PHE 66 Ca -0.18 -1.29 -0.14 0.00 -0.05 0.00 0.00 57.45 55.79 2ejm n PHE 66 Cb 0.52 -0.29 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 2ejm n PHE 66 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2ejm s TYR 67 N -3.08 -0.70 0.18 1.38 1.51 -1.25 -5.00 117.35 110.38 2ejm s TYR 67 Ca 0.39 1.67 0.02 0.00 -1.01 0.00 0.00 57.07 58.14 2ejm s TYR 67 Cb 0.35 0.26 -0.01 0.00 -0.11 0.00 0.00 41.96 42.45 2ejm s TYR 67 CO -0.00 -0.37 0.06 0.54 -1.11 0.00 0.00 175.55 174.67 2ejm n ARG 68 N 2.52 0.78 -1.69 -0.62 1.74 -1.26 -5.02 116.66 113.11 2ejm n ARG 68 Ca -0.14 -1.54 -0.42 0.00 -0.77 0.00 0.00 57.85 54.97 2ejm n ARG 68 Cb 0.56 0.83 -0.03 0.00 -1.02 0.00 0.00 32.46 32.80 2ejm n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ejm n GLU 69 N -0.41 2.78 -2.75 5.56 1.02 -1.26 -2.00 120.64 123.57 2ejm n GLU 69 Ca -0.03 1.01 -0.07 0.00 -0.02 0.00 0.00 57.16 58.06 2ejm n GLU 69 Cb 0.27 -2.89 0.02 0.00 -0.02 0.00 0.00 31.44 28.82 2ejm n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ejm n GLY 70 N 4.18 0.47 3.68 0.62 0.00 0.53 -4.99 105.19 109.66 2ejm n GLY 70 Ca 0.18 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2ejm n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ejm s ALA 71 N -3.10 3.31 -0.23 4.61 0.00 -0.85 -4.88 121.76 120.63 2ejm s ALA 71 Ca 0.14 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 51.09 2ejm s ALA 71 Cb -0.06 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 2ejm s ALA 71 CO 0.21 0.53 0.72 -1.14 0.00 0.00 0.00 175.76 176.09 2ejm s GLN 72 N -0.70 4.18 0.32 0.00 0.74 -1.26 -1.55 119.66 121.38 2ejm s GLN 72 Ca 0.11 0.75 0.10 0.00 0.05 0.00 0.00 55.36 56.38 2ejm s GLN 72 Cb -0.12 -3.63 -0.06 0.00 1.10 0.00 0.00 33.01 30.31 2ejm s GLN 72 CO 0.02 -0.41 -0.11 0.00 -0.55 0.00 0.00 175.29 174.25 2ejm s ALA 73 N 2.46 2.94 0.38 1.58 0.00 -0.68 -5.03 121.76 123.42 2ejm s ALA 73 Ca 0.31 -1.98 0.08 0.00 0.00 0.00 0.00 51.96 50.37 2ejm s ALA 73 Cb -0.16 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 2ejm s ALA 73 CO 0.09 0.15 0.01 -0.80 0.00 0.00 0.00 175.76 175.22 2ejm s ASN 74 N -3.60 3.98 -0.10 0.00 0.01 -1.26 -3.30 114.94 110.67 2ejm s ASN 74 Ca 0.32 -1.22 -0.29 0.00 -0.71 0.00 0.00 52.86 50.95 2ejm s ASN 74 Cb -0.01 -0.42 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 2ejm s ASN 74 CO 0.17 -0.38 1.48 -0.60 -1.51 0.00 0.00 177.10 176.26 2ejm s ARG 75 N -3.72 4.20 0.00 -0.60 3.52 -1.26 -3.08 118.95 118.01 2ejm s ARG 75 Ca 0.35 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 2ejm s ARG 75 Cb 0.06 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 2ejm s ARG 75 CO 0.19 -0.78 0.00 1.58 -0.81 0.00 0.00 175.30 175.47 2ejm n HIS 76 N 6.90 0.00 -4.57 5.12 -0.00 -1.00 -4.97 115.22 116.69 2ejm n HIS 76 Ca 0.16 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.10 2ejm n HIS 76 Cb 0.44 -1.96 -0.14 0.00 -0.12 0.00 0.00 29.99 28.21 2ejm n HIS 76 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 2ejm s THR 77 N -2.90 1.53 -0.45 3.57 -4.23 -1.18 -4.84 115.64 107.15 2ejm s THR 77 Ca 0.00 -1.14 -0.28 0.00 -1.18 0.00 0.00 61.69 59.08 2ejm s THR 77 Cb 0.00 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.51 2ejm s THR 77 CO 0.00 0.16 1.44 -2.16 -0.54 0.00 0.00 174.62 173.52 2ejm s PRO 78 N -1.15 3.47 -0.04 3.99 0.04 -1.26 -1.06 135.00 138.99 2ejm s PRO 78 Ca 0.06 0.82 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 2ejm s PRO 78 Cb -0.09 -4.07 -0.28 0.00 0.04 0.00 0.00 34.50 30.11 2ejm s PRO 78 CO 0.02 -1.70 0.95 -0.07 0.04 0.00 0.00 177.00 176.23 2ejm h LEU 79 N 12.60 0.43 -8.61 -3.56 3.38 -1.90 -3.45 115.31 114.20 2ejm h LEU 79 Ca -0.27 -0.89 -0.25 0.00 0.09 0.00 0.00 57.88 56.55 2ejm h LEU 79 Cb 1.11 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 2ejm h LEU 79 CO 1.11 1.28 -0.64 0.68 0.09 0.00 0.00 178.44 180.97 2ejm s VAL 80 N -2.68 0.27 0.18 1.22 -7.23 -1.26 -2.99 120.40 107.91 2ejm s VAL 80 Ca -0.14 -1.97 0.09 0.00 -1.81 0.00 0.00 61.98 58.15 2ejm s VAL 80 Cb 0.01 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2ejm s VAL 80 CO 0.81 -0.23 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.48 2ejm s GLU 81 N -4.06 1.34 0.14 4.82 2.12 -0.72 -3.71 118.70 118.63 2ejm s GLU 81 Ca 0.31 -1.45 0.07 0.00 0.36 0.00 0.00 54.97 54.27 2ejm s GLU 81 Cb 0.07 -1.45 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 2ejm s GLU 81 CO 0.08 0.30 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.96 2ejm s PHE 82 N -2.01 2.75 0.85 5.30 0.08 -1.26 0.88 117.98 124.57 2ejm s PHE 82 Ca 0.17 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.95 2ejm s PHE 82 Cb -0.06 -1.39 0.10 0.00 -0.57 0.00 0.00 43.02 41.09 2ejm s PHE 82 CO 0.08 0.47 1.13 -1.21 -0.10 0.00 0.00 175.22 175.59 2ejm s GLU 83 N -2.51 1.68 -1.35 0.44 0.41 0.05 -4.45 118.70 112.96 2ejm s GLU 83 Ca 0.24 0.35 -0.12 0.00 -0.41 0.00 0.00 54.97 55.02 2ejm s GLU 83 Cb -0.10 -1.90 0.11 0.00 -1.78 0.00 0.00 34.13 30.46 2ejm s GLU 83 CO 0.15 -1.84 1.97 0.39 -0.49 0.00 0.00 175.26 175.45 2ejm n GLU 84 N -3.53 3.26 -1.29 1.61 1.02 -1.26 -4.82 120.64 115.63 2ejm n GLU 84 Ca 0.07 -3.16 -0.30 0.00 -0.02 0.00 0.00 57.16 53.75 2ejm n GLU 84 Cb 0.59 -3.13 0.23 0.00 -0.02 0.00 0.00 31.44 29.11 2ejm n GLU 84 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2ejm s GLU 85 N 1.92 -0.86 0.00 3.49 1.03 -1.26 -5.01 118.70 118.01 2ejm s GLU 85 Ca 0.44 -0.19 0.00 0.00 0.03 0.00 0.00 54.97 55.25 2ejm s GLU 85 Cb 0.10 -1.65 0.00 0.00 -0.80 0.00 0.00 34.13 31.78 2ejm s GLU 85 CO -0.03 -3.45 0.81 0.39 -1.33 0.00 0.00 175.26 171.65 2ejm n GLU 86 N -4.55 0.00 0.00 -4.83 1.02 -1.26 -5.04 120.64 105.98 2ejm n GLU 86 Ca 0.14 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2ejm n GLU 86 Cb 0.60 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 2ejm n GLU 86 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ejm n SER 87 N -1.48 0.00 -2.76 1.62 2.88 -1.26 -5.04 113.62 107.58 2ejm n SER 87 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2ejm n SER 87 Cb 0.00 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2ejm n SER 87 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2ejm n ASP 88 N -1.61 -8.00 -4.18 -3.46 9.92 -1.26 -4.96 116.55 103.01 2ejm n ASP 88 Ca 0.00 1.09 -0.39 0.00 -0.53 0.00 0.00 54.79 54.96 2ejm n ASP 88 Cb 0.00 -5.36 -0.09 0.00 -0.64 0.00 0.00 41.12 35.03 2ejm n ASP 88 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2ejm s LYS 89 N -2.01 2.40 -0.36 -1.24 2.20 -1.26 -5.03 119.74 114.43 2ejm s LYS 89 Ca 0.10 -1.90 -0.27 0.00 -0.36 0.00 0.00 55.97 53.53 2ejm s LYS 89 Cb -0.03 -3.83 -0.05 0.00 -1.51 0.00 0.00 37.83 32.41 2ejm s LYS 89 CO 0.78 -1.16 2.25 1.03 -0.36 0.00 0.00 175.35 177.88 2ejm s ARG 90 N 1.08 2.68 0.28 4.03 1.81 -1.26 -4.39 118.95 123.19 2ejm s ARG 90 Ca 0.08 1.64 0.00 0.00 -1.72 0.00 0.00 55.73 55.74 2ejm s ARG 90 Cb -0.24 -4.45 0.00 0.00 -0.45 0.00 0.00 34.95 29.81 2ejm s ARG 90 CO -0.02 -2.62 0.00 -1.91 -0.68 0.00 0.00 175.30 170.07 2ejm n GLU 91 N 8.87 0.00 0.05 3.54 2.13 -1.26 -4.96 120.64 129.00 2ejm n GLU 91 Ca 0.32 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.00 2ejm n GLU 91 Cb 0.50 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.12 2ejm n GLU 91 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2ejm h SER 92 N 0.00 -1.38 -4.29 4.31 0.87 -1.88 -3.48 113.55 107.70 2ejm h SER 92 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2ejm h SER 92 Cb 0.00 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2ejm h SER 92 CO 0.00 -0.44 -0.84 -0.62 -0.53 0.00 0.00 176.83 174.40 2ejm n GLU 93 N -4.96 -4.88 -3.17 2.24 -0.58 -1.26 -4.97 120.64 103.05 2ejm n GLU 93 Ca -0.06 3.53 -0.32 0.00 -0.42 0.00 0.00 57.16 59.89 2ejm n GLU 93 Cb 0.33 -3.80 -0.05 0.00 -0.57 0.00 0.00 31.44 27.35 2ejm n GLU 93 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2ejm s SER 94 N -0.46 6.68 -0.33 1.62 0.15 -1.26 -5.07 113.70 115.04 2ejm s SER 94 Ca 0.00 1.14 0.05 0.00 0.70 0.00 0.00 55.95 57.85 2ejm s SER 94 Cb 0.00 -2.32 0.19 0.00 -1.71 0.00 0.00 66.02 62.19 2ejm s SER 94 CO 0.00 -0.20 0.63 -0.83 1.20 0.00 0.00 173.24 174.04 2ejm s GLY 95 N -2.47 -1.26 0.89 9.45 0.00 -1.26 -5.16 107.32 107.51 2ejm s GLY 95 Ca 0.52 0.88 -0.12 0.00 0.00 0.00 0.00 44.72 45.99 2ejm s GLY 95 CO 0.21 3.72 1.13 2.56 0.00 0.00 0.00 173.10 180.72 2ejm s PRO 96 N 2.54 1.30 0.16 2.90 0.04 -1.26 -5.09 135.00 135.59 2ejm s PRO 96 Ca 0.13 0.35 0.02 0.00 0.04 0.00 0.00 61.00 61.54 2ejm s PRO 96 Cb -0.08 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 2ejm s PRO 96 CO -0.20 -2.10 -0.03 0.45 0.04 0.00 0.00 177.00 175.16 2ejm s SER 97 N -4.01 1.36 0.58 6.66 0.15 -1.26 -5.09 113.70 112.08 2ejm s SER 97 Ca 0.63 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2ejm s SER 97 Cb -0.15 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 2ejm s SER 97 CO 0.53 -0.51 0.00 -0.24 1.20 0.00 0.00 173.24 174.22 2ejm n SER 98 N -0.22 -7.75 0.00 5.45 2.88 -1.26 -5.38 113.62 107.34 2ejm n SER 98 Ca -0.08 1.61 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 2ejm n SER 98 Cb 0.62 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42