#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ejm n SER 2 N 0.00 1.51 0.00 1.61 2.88 -1.26 -4.98 113.62 113.38 2ejm n SER 2 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2ejm n SER 2 Cb 0.00 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2ejm n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ejm n SER 3 N -3.99 0.00 0.00 -3.46 2.88 -1.26 -4.47 113.62 103.32 2ejm n SER 3 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2ejm n SER 3 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2ejm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ejm n GLY 4 N 0.00 -1.28 3.51 0.46 0.00 -1.26 -4.77 105.19 101.85 2ejm n GLY 4 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 2ejm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ejm n SER 5 N -0.51 0.17 -4.74 1.61 7.64 -1.26 -4.84 113.62 111.68 2ejm n SER 5 Ca 0.00 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 2ejm n SER 5 Cb 0.00 -0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 62.17 2ejm n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ejm s SER 6 N -0.09 7.08 0.00 6.43 0.15 -1.26 -4.93 113.70 121.08 2ejm s SER 6 Ca 0.84 2.27 0.00 0.00 0.70 0.00 0.00 55.95 59.76 2ejm s SER 6 Cb -1.13 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 60.57 2ejm s SER 6 CO 0.55 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2ejm n GLY 7 N 1.99 2.09 3.12 9.45 0.00 -1.26 -5.08 105.19 115.48 2ejm n GLY 7 Ca 0.03 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2ejm n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ejm s VAL 8 N -1.67 4.36 -0.47 1.61 1.01 -1.26 -4.89 120.40 119.08 2ejm s VAL 8 Ca 0.00 -3.74 0.06 0.00 0.00 0.00 0.00 61.98 58.30 2ejm s VAL 8 Cb 0.00 -3.71 0.18 0.00 0.00 0.00 0.00 36.38 32.85 2ejm s VAL 8 CO 0.00 -1.07 0.62 -0.55 0.00 0.00 0.00 175.10 174.10 2ejm s SER 9 N 0.02 -0.75 0.27 3.32 0.15 -1.26 -4.97 113.70 110.47 2ejm s SER 9 Ca 0.26 -1.82 0.00 0.00 0.70 0.00 0.00 55.95 55.09 2ejm s SER 9 Cb -0.09 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 2ejm s SER 9 CO -0.11 -0.11 0.00 -0.24 1.20 0.00 0.00 173.24 173.98 2ejm n SER 10 N 3.24 -2.39 -2.90 5.45 2.88 -1.26 -5.03 113.62 113.61 2ejm n SER 10 Ca 0.19 0.69 -0.02 0.00 -1.33 0.00 0.00 58.87 58.40 2ejm n SER 10 Cb 0.54 2.42 0.00 0.00 -0.75 0.00 0.00 64.21 66.42 2ejm n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ejm n GLN 11 N -3.19 -2.37 -0.05 -1.46 6.02 -1.26 -5.00 117.38 110.08 2ejm n GLN 11 Ca 0.00 2.07 -0.07 0.00 -0.01 0.00 0.00 57.00 59.00 2ejm n GLN 11 Cb 0.00 -3.89 -0.02 0.00 1.02 0.00 0.00 30.24 27.35 2ejm n GLN 11 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2ejm n GLU 12 N 0.82 0.36 -0.01 -1.09 0.00 -1.26 -4.79 120.64 114.67 2ejm n GLU 12 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 57.16 57.39 2ejm n GLU 12 Cb 0.21 -1.12 -0.15 0.00 0.00 0.00 0.00 31.44 30.37 2ejm n GLU 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2ejm n THR 13 N -4.13 0.07 -3.01 6.31 5.66 -1.26 -4.93 114.28 112.99 2ejm n THR 13 Ca -0.10 -0.46 -0.40 0.00 -3.05 0.00 0.00 64.05 60.04 2ejm n THR 13 Cb 0.36 0.02 -0.05 0.00 -1.55 0.00 0.00 70.33 69.12 2ejm n THR 13 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2ejm s GLN 14 N -3.28 4.46 0.00 1.09 0.74 -1.26 -4.66 119.66 116.75 2ejm s GLN 14 Ca -0.07 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.34 2ejm s GLN 14 Cb 0.12 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.85 2ejm s GLN 14 CO 0.79 0.24 0.00 0.41 -0.55 0.00 0.00 175.29 176.18 2ejm n GLY 15 N 2.56 -1.49 0.00 2.59 0.00 -1.26 -4.78 105.19 102.81 2ejm n GLY 15 Ca -0.02 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.16 3.81 -0.02 0.00 -1.26 -4.85 105.19 103.04 2ejm n GLY 16 Ca 0.00 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 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 0.46 3.27 -0.11 1.61 0.04 -1.25 -4.97 135.00 134.05 2ejm s PRO 17 Ca 0.00 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.18 2ejm s PRO 17 Cb 0.00 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 2ejm s PRO 17 CO 0.00 -0.85 -0.23 -0.51 0.04 0.00 0.00 177.00 175.46 2ejm s LEU 18 N -4.78 2.15 0.50 -3.56 1.43 -1.26 -3.06 118.68 110.10 2ejm s LEU 18 Ca 0.61 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.96 2ejm s LEU 18 Cb -0.15 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.55 2ejm s LEU 18 CO 0.42 0.15 0.76 0.00 0.23 0.00 0.00 176.35 177.91 2ejm n ALA 19 N 3.60 -0.56 -0.04 4.21 0.00 -0.51 -4.79 120.51 122.42 2ejm n ALA 19 Ca -0.19 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 2ejm n ALA 19 Cb 0.53 -1.95 -0.11 0.00 0.00 0.00 0.00 19.45 17.92 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 0.79 0.00 -4.00 0.00 0.13 -1.93 -2.63 132.00 124.37 2ejm h PRO 20 Ca -0.45 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 2ejm h PRO 20 Cb 1.37 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.38 2ejm h PRO 20 CO 0.52 0.75 -0.35 0.00 -0.23 0.00 0.00 178.00 178.69 2ejm s MET 21 N -3.22 1.26 -0.25 0.86 0.23 -1.26 -4.53 119.30 112.38 2ejm s MET 21 Ca -0.17 -1.30 -0.28 0.00 -1.03 0.00 0.00 55.69 52.90 2ejm s MET 21 Cb -0.01 0.37 -0.05 0.00 -1.53 0.00 0.00 34.83 33.61 2ejm s MET 21 CO 0.68 -0.46 2.24 2.41 -2.03 0.00 0.00 175.02 177.86 2ejm n THR 22 N -0.26 0.30 -4.08 3.16 -1.04 -1.26 -4.50 114.28 106.59 2ejm n THR 22 Ca -0.04 -0.49 -0.15 0.00 -2.04 0.00 0.00 64.05 61.33 2ejm n THR 22 Cb 0.63 -2.56 -0.03 0.00 -1.82 0.00 0.00 70.33 66.55 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 5.83 2.08 3.34 3.41 0.00 -1.19 -4.60 105.19 114.06 2ejm n GLY 23 Ca 0.31 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.84 2.63 -0.48 2.61 2.01 -0.42 -1.27 115.64 117.87 2ejm s THR 24 Ca 0.30 -0.84 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 2ejm s THR 24 Cb -0.01 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2ejm s THR 24 CO 0.22 0.55 1.90 -0.63 -0.69 0.00 0.00 174.62 175.97 2ejm s ILE 25 N 0.04 3.36 -0.10 1.82 -1.09 -0.18 0.51 121.20 125.56 2ejm s ILE 25 Ca -0.07 0.29 -0.26 0.00 -2.23 0.00 0.00 60.65 58.38 2ejm s ILE 25 Cb -0.15 -3.71 -0.22 0.00 -1.58 0.00 0.00 42.46 36.80 2ejm s ILE 25 CO 0.05 -0.60 0.87 -0.08 -1.23 0.00 0.00 174.94 173.95 2ejm h GLU 26 N 14.62 -0.02 -5.93 2.79 4.57 0.20 1.22 114.58 132.03 2ejm h GLU 26 Ca -0.29 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.32 2ejm h GLU 26 Cb 1.18 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.63 2ejm h GLU 26 CO 1.13 0.75 -0.72 0.15 -1.18 0.00 0.00 179.01 179.14 2ejm s LYS 27 N -2.82 1.64 -0.31 1.92 -0.14 -1.08 -4.25 119.74 114.70 2ejm s LYS 27 Ca -0.17 -1.79 -0.01 0.00 -1.36 0.00 0.00 55.97 52.65 2ejm s LYS 27 Cb -0.01 -1.56 0.13 0.00 -1.68 0.00 0.00 37.83 34.71 2ejm s LYS 27 CO 0.63 0.21 0.25 0.08 -0.76 0.00 0.00 175.35 175.76 2ejm s VAL 28 N -2.69 -0.22 -0.86 3.17 1.01 -1.26 -1.09 120.40 118.46 2ejm s VAL 28 Ca 0.29 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 2ejm s VAL 28 Cb -0.01 -0.95 0.34 0.00 0.00 0.00 0.00 36.38 35.75 2ejm s VAL 28 CO 0.14 -0.64 2.03 0.49 0.00 0.00 0.00 175.10 177.12 2ejm n PHE 29 N 4.95 2.91 -3.55 5.22 3.72 0.22 -4.92 117.46 126.01 2ejm n PHE 29 Ca 0.01 -2.34 -0.04 0.00 -0.05 0.00 0.00 57.45 55.03 2ejm n PHE 29 Cb 0.44 -1.20 -0.00 0.00 -0.94 0.00 0.00 39.48 37.77 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 -0.42 0.00 -3.91 -4.37 0.24 -1.23 -4.66 118.33 103.97 2ejm n VAL 30 Ca 0.53 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2ejm n VAL 30 Cb 0.24 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.18 0.00 -3.66 7.34 -0.00 -1.26 -5.11 118.16 115.29 2ejm n LYS 31 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.95 2ejm n LYS 31 Cb 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.16 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 3.78 -1.53 0.58 0.00 -1.26 -4.10 121.76 118.23 2ejm s ALA 32 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2ejm s ALA 32 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.94 2ejm s ALA 32 CO 0.00 0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2ejm n GLY 33 N 1.25 0.30 4.01 0.00 0.00 0.31 -4.99 105.19 106.06 2ejm n GLY 33 Ca -0.11 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.43 5.42 -0.01 1.61 2.15 -1.20 -4.93 116.67 117.29 2ejm s ASP 34 Ca 0.00 -0.60 0.06 0.00 0.43 0.00 0.00 52.55 52.44 2ejm s ASP 34 Cb 0.00 -0.30 -0.01 0.00 -0.30 0.00 0.00 42.92 42.30 2ejm s ASP 34 CO 0.00 -0.97 -0.18 -0.54 -0.17 0.00 0.00 175.17 173.31 2ejm s LYS 35 N -4.45 1.49 0.32 4.34 3.01 -1.26 -2.21 119.74 120.98 2ejm s LYS 35 Ca 0.57 -0.66 0.05 0.00 -1.01 0.00 0.00 55.97 54.92 2ejm s LYS 35 Cb -0.08 -1.44 -0.03 0.00 -1.01 0.00 0.00 37.83 35.26 2ejm s LYS 35 CO 0.35 0.40 0.23 0.14 0.51 0.00 0.00 175.35 176.97 2ejm s VAL 36 N -0.44 0.12 -0.05 3.17 -7.23 -1.22 -4.99 120.40 109.76 2ejm s VAL 36 Ca 0.07 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 2ejm s VAL 36 Cb -0.07 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2ejm s VAL 36 CO -0.01 0.00 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.10 2ejm s LYS 37 N -3.62 1.70 -0.49 4.82 1.02 -1.26 -4.25 119.74 117.66 2ejm s LYS 37 Ca 0.38 -0.51 -0.45 0.00 0.02 0.00 0.00 55.97 55.41 2ejm s LYS 37 Cb 0.03 -1.44 -0.19 0.00 -0.52 0.00 0.00 37.83 35.71 2ejm s LYS 37 CO 0.23 0.14 1.80 0.00 -0.92 0.00 0.00 175.35 176.60 2ejm n ALA 38 N 3.44 -0.73 -0.98 5.17 0.00 -1.26 -1.57 120.51 124.58 2ejm n ALA 38 Ca -0.20 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2ejm n ALA 38 Cb 0.53 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 5.22 0.63 3.34 0.00 0.00 -1.06 -4.95 105.19 108.37 2ejm n GLY 39 Ca 0.39 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.08 3.19 -0.74 1.61 1.11 -0.61 -4.80 116.67 114.35 2ejm s ASP 40 Ca 0.00 -0.50 -0.26 0.00 0.18 0.00 0.00 52.55 51.98 2ejm s ASP 40 Cb 0.00 -0.36 -0.04 0.00 1.07 0.00 0.00 42.92 43.58 2ejm s ASP 40 CO 0.00 0.29 1.97 -0.94 1.18 0.00 0.00 175.17 177.67 2ejm s SER 41 N -0.90 5.07 0.00 0.27 1.04 -1.26 -1.78 113.70 116.14 2ejm s SER 41 Ca 0.11 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2ejm s SER 41 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2ejm s SER 41 CO 0.01 -2.67 0.49 0.18 0.98 0.00 0.00 173.24 172.22 2ejm n LEU 42 N 13.88 0.16 -4.42 2.42 4.77 -0.71 -4.61 117.00 128.48 2ejm n LEU 42 Ca 0.32 0.70 -0.23 0.00 -0.03 0.00 0.00 56.01 56.77 2ejm n LEU 42 Cb 0.49 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2ejm n LEU 42 CO 0.65 -0.45 -0.17 -0.04 -1.33 0.00 0.00 177.39 176.06 2ejm s MET 43 N -1.87 1.84 -0.04 3.23 -1.94 -1.25 0.73 119.30 120.00 2ejm s MET 43 Ca 0.00 -2.10 0.04 0.00 -1.71 0.00 0.00 55.69 51.92 2ejm s MET 43 Cb 0.00 -0.25 -0.00 0.00 2.01 0.00 0.00 34.83 36.58 2ejm s MET 43 CO 0.00 -0.53 -0.15 0.08 -0.01 0.00 0.00 175.02 174.40 2ejm s VAL 44 N -3.33 1.29 0.37 -6.03 1.01 -0.25 -1.75 120.40 111.70 2ejm s VAL 44 Ca 0.30 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.72 2ejm s VAL 44 Cb 0.03 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 2ejm s VAL 44 CO 0.19 0.37 0.11 -0.04 0.00 0.00 0.00 175.10 175.73 2ejm s MET 45 N 0.05 2.22 -0.20 2.72 -1.94 -0.61 0.20 119.30 121.73 2ejm s MET 45 Ca -0.03 -1.72 -0.03 0.00 -1.71 0.00 0.00 55.69 52.19 2ejm s MET 45 Cb -0.11 -2.02 0.07 0.00 2.01 0.00 0.00 34.83 34.78 2ejm s MET 45 CO 0.02 0.04 0.06 0.42 -0.01 0.00 0.00 175.02 175.55 2ejm s ILE 46 N -2.52 0.35 0.00 2.53 -1.09 0.18 -1.85 121.20 118.80 2ejm s ILE 46 Ca 0.38 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 2ejm s ILE 46 Cb 0.01 -0.96 0.00 0.00 -1.58 0.00 0.00 42.46 39.93 2ejm s ILE 46 CO 0.21 -0.30 0.00 0.00 -1.23 0.00 0.00 174.94 173.63 2ejm n ALA 47 N 5.11 1.90 -2.95 9.38 0.00 -1.24 -1.30 120.51 131.40 2ejm n ALA 47 Ca -0.08 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 2ejm n ALA 47 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.27 4.46 -2.14 0.00 2.81 -1.26 -4.75 117.12 113.97 2ejm n MET 48 Ca 0.00 -4.62 -0.04 0.00 -1.81 0.00 0.00 57.70 51.22 2ejm n MET 48 Cb 0.00 -2.45 -0.01 0.00 -0.71 0.00 0.00 33.22 30.05 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 0.78 -2.32 -4.32 0.03 4.01 -1.26 -4.87 118.16 110.21 2ejm n LYS 49 Ca 0.33 0.22 -0.23 0.00 -0.51 0.00 0.00 58.31 58.11 2ejm n LYS 49 Cb 0.32 -4.64 -0.13 0.00 -0.51 0.00 0.00 35.03 30.08 2ejm n LYS 49 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2ejm s MET 50 N -4.35 1.11 -0.36 1.97 -1.94 -1.26 -5.11 119.30 109.36 2ejm s MET 50 Ca 0.00 -1.09 -0.20 0.00 -1.71 0.00 0.00 55.69 52.69 2ejm s MET 50 Cb 0.00 -1.32 0.00 0.00 2.01 0.00 0.00 34.83 35.53 2ejm s MET 50 CO 0.00 0.31 0.59 -1.21 -0.01 0.00 0.00 175.02 174.70 2ejm s GLU 51 N -1.76 3.62 -0.29 2.03 8.01 -1.26 -3.68 118.70 125.36 2ejm s GLU 51 Ca 0.05 -0.07 -0.11 0.00 0.01 0.00 0.00 54.97 54.85 2ejm s GLU 51 Cb -0.10 -3.82 -0.04 0.00 -4.31 0.00 0.00 34.13 25.86 2ejm s GLU 51 CO 0.04 -0.73 0.20 -1.01 0.01 0.00 0.00 175.26 173.77 2ejm s HIS 52 N 2.60 3.22 -0.66 1.61 3.76 -0.77 -4.93 115.29 120.11 2ejm s HIS 52 Ca 0.22 0.07 -0.23 0.00 -0.15 0.00 0.00 55.06 54.97 2ejm s HIS 52 Cb -0.15 -2.40 0.07 0.00 1.11 0.00 0.00 32.58 31.21 2ejm s HIS 52 CO 0.15 -0.19 0.98 0.99 -0.85 0.00 0.00 174.74 175.81 2ejm s THR 53 N 1.76 4.29 -0.70 1.30 2.01 -1.26 -1.57 115.64 121.46 2ejm s THR 53 Ca 0.07 -0.31 -0.26 0.00 0.31 0.00 0.00 61.69 61.50 2ejm s THR 53 Cb -0.16 -4.69 -0.02 0.00 0.01 0.00 0.00 72.50 67.64 2ejm s THR 53 CO 0.11 -1.47 1.80 -0.63 -0.69 0.00 0.00 174.62 173.74 2ejm s ILE 54 N 4.15 3.44 0.31 1.82 1.09 -0.72 -4.95 121.20 126.33 2ejm s ILE 54 Ca 0.23 0.08 -0.25 0.00 -1.10 0.00 0.00 60.65 59.61 2ejm s ILE 54 Cb -0.16 -4.11 -0.10 0.00 -1.06 0.00 0.00 42.46 37.03 2ejm s ILE 54 CO 0.11 -1.07 0.91 -0.54 -0.10 0.00 0.00 174.94 174.25 2ejm s LYS 55 N 6.81 4.52 0.34 2.79 -0.14 -1.26 -1.74 119.74 131.07 2ejm s LYS 55 Ca 0.63 1.25 -0.29 0.00 -1.36 0.00 0.00 55.97 56.20 2ejm s LYS 55 Cb -0.10 -2.80 -0.10 0.00 -1.68 0.00 0.00 37.83 33.14 2ejm s LYS 55 CO 0.15 0.29 1.36 0.45 -0.76 0.00 0.00 175.35 176.85 2ejm s SER 56 N -1.63 6.64 0.22 2.83 0.15 -0.73 -4.86 113.70 116.33 2ejm s SER 56 Ca 0.49 2.80 0.10 0.00 0.70 0.00 0.00 55.95 60.03 2ejm s SER 56 Cb -0.18 -2.65 0.17 0.00 -1.71 0.00 0.00 66.02 61.65 2ejm s SER 56 CO 0.23 -0.64 1.50 1.55 1.20 0.00 0.00 173.24 177.08 2ejm h PRO 57 N 3.32 0.00 -2.94 5.44 0.13 -1.95 -2.82 132.00 133.19 2ejm h PRO 57 Ca -0.49 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 2ejm h PRO 57 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2ejm h PRO 57 CO 0.65 0.74 0.29 -1.59 -0.23 0.00 0.00 178.00 177.86 2ejm s LYS 58 N -3.30 1.99 0.38 0.86 -2.85 -1.26 -4.84 119.74 110.72 2ejm s LYS 58 Ca -0.00 -1.23 -0.22 0.00 -1.00 0.00 0.00 55.97 53.52 2ejm s LYS 58 Cb 0.12 0.59 -0.10 0.00 -2.06 0.00 0.00 37.83 36.38 2ejm s LYS 58 CO 0.78 -0.93 0.92 0.16 0.10 0.00 0.00 175.35 176.38 2ejm s ASP 59 N -3.04 7.04 0.00 0.03 1.47 -1.26 -4.25 116.67 116.65 2ejm s ASP 59 Ca 0.14 1.68 0.00 0.00 1.18 0.00 0.00 52.55 55.56 2ejm s ASP 59 Cb -0.05 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 40.00 2ejm s ASP 59 CO 0.09 -0.25 0.00 0.61 0.68 0.00 0.00 175.17 176.30 2ejm n GLY 60 N -0.24 2.03 3.45 2.12 0.00 -1.26 -4.95 105.19 106.34 2ejm n GLY 60 Ca 0.05 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 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 5.08 -0.42 2.61 2.01 -1.26 -3.37 115.64 118.29 2ejm s THR 61 Ca 0.00 -0.57 -0.44 0.00 0.31 0.00 0.00 61.69 60.99 2ejm s THR 61 Cb 0.00 -4.12 -0.18 0.00 0.01 0.00 0.00 72.50 68.21 2ejm s THR 61 CO 0.00 -0.55 1.75 0.52 -0.69 0.00 0.00 174.62 175.65 2ejm n VAL 62 N 5.41 0.11 -0.01 3.82 0.31 -0.94 -1.12 118.33 125.92 2ejm n VAL 62 Ca -0.08 -0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.16 2ejm n VAL 62 Cb 0.46 -0.80 -0.04 0.00 -0.91 0.00 0.00 33.84 32.55 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 6.65 -0.09 -2.55 5.55 3.64 0.16 0.88 116.57 130.81 2ejm h LYS 63 Ca -0.40 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.90 2ejm h LYS 63 Cb 1.36 0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 33.00 2ejm h LYS 63 CO 0.99 0.18 -0.06 0.21 -2.27 0.00 0.00 179.45 178.50 2ejm s LYS 64 N -2.12 0.85 0.10 1.90 2.36 -1.24 -3.74 119.74 117.86 2ejm s LYS 64 Ca -0.06 0.02 -0.04 0.00 -2.55 0.00 0.00 55.97 53.34 2ejm s LYS 64 Cb -0.00 0.39 -0.05 0.00 -1.05 0.00 0.00 37.83 37.11 2ejm s LYS 64 CO 0.22 -0.25 0.33 0.08 1.55 0.00 0.00 175.35 177.28 2ejm s VAL 65 N -1.25 5.23 -0.15 4.02 1.01 -1.26 -1.07 120.40 126.92 2ejm s VAL 65 Ca -0.12 -0.00 0.14 0.00 0.00 0.00 0.00 61.98 62.00 2ejm s VAL 65 Cb -0.03 -3.62 -0.20 0.00 0.00 0.00 0.00 36.38 32.53 2ejm s VAL 65 CO 0.07 0.13 0.08 0.49 0.00 0.00 0.00 175.10 175.86 2ejm n PHE 66 N 0.34 0.00 -4.40 5.22 3.72 0.10 -4.98 117.46 117.47 2ejm n PHE 66 Ca -0.05 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.16 2ejm n PHE 66 Cb 0.52 -0.75 -0.15 0.00 -0.94 0.00 0.00 39.48 38.16 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 -2.45 0.89 0.20 1.38 2.02 -1.23 -5.05 117.35 113.11 2ejm s TYR 67 Ca -0.08 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 2ejm s TYR 67 Cb 0.05 -0.59 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 2ejm s TYR 67 CO 0.65 -0.04 0.08 0.54 -1.57 0.00 0.00 175.55 175.21 2ejm n ARG 68 N 2.98 1.34 -1.68 -0.62 1.74 -1.26 -4.99 116.66 114.17 2ejm n ARG 68 Ca -0.15 -1.38 -0.43 0.00 -0.77 0.00 0.00 57.85 55.12 2ejm n ARG 68 Cb 0.56 0.26 -0.01 0.00 -1.02 0.00 0.00 32.46 32.24 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 -0.76 2.05 -3.42 5.56 1.02 -1.26 -1.97 120.64 121.85 2ejm n GLU 69 Ca -0.04 0.72 -0.20 0.00 -0.02 0.00 0.00 57.16 57.62 2ejm n GLU 69 Cb 0.24 -2.31 0.07 0.00 -0.02 0.00 0.00 31.44 29.43 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 1.26 -0.34 3.71 0.62 0.00 0.42 -5.00 105.19 105.86 2ejm n GLY 70 Ca 0.07 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.29 3.36 -0.20 4.61 0.00 -0.83 -4.91 121.76 120.50 2ejm s ALA 71 Ca 0.41 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 2ejm s ALA 71 Cb -0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2ejm s ALA 71 CO 0.64 0.19 -0.05 -1.14 0.00 0.00 0.00 175.76 175.40 2ejm s GLN 72 N -3.77 3.41 0.33 0.00 0.74 -1.26 -1.01 119.66 118.10 2ejm s GLN 72 Ca 0.34 -0.62 0.09 0.00 0.05 0.00 0.00 55.36 55.22 2ejm s GLN 72 Cb -0.06 -2.95 -0.06 0.00 1.10 0.00 0.00 33.01 31.05 2ejm s GLN 72 CO 0.22 -0.09 -0.05 0.00 -0.55 0.00 0.00 175.29 174.82 2ejm s ALA 73 N 1.20 3.08 0.40 1.58 0.00 -0.39 -5.00 121.76 122.62 2ejm s ALA 73 Ca 0.02 -1.98 0.07 0.00 0.00 0.00 0.00 51.96 50.08 2ejm s ALA 73 Cb -0.14 -0.28 -0.07 0.00 0.00 0.00 0.00 23.12 22.63 2ejm s ALA 73 CO -0.01 0.10 0.04 1.21 0.00 0.00 0.00 175.76 177.10 2ejm s ASN 74 N -3.66 4.00 0.03 0.00 3.84 -1.26 -3.16 114.94 114.73 2ejm s ASN 74 Ca 0.33 -1.27 -0.30 0.00 0.21 0.00 0.00 52.86 51.83 2ejm s ASN 74 Cb -0.00 -0.42 -0.07 0.00 -0.55 0.00 0.00 41.25 40.21 2ejm s ASN 74 CO 0.18 -0.43 1.57 -0.60 -2.79 0.00 0.00 177.10 175.03 2ejm s ARG 75 N -3.74 4.22 -0.48 0.43 3.52 -1.26 -3.04 118.95 118.59 2ejm s ARG 75 Ca 0.36 2.19 -0.02 0.00 -0.13 0.00 0.00 55.73 58.14 2ejm s ARG 75 Cb 0.07 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 2ejm s ARG 75 CO 0.19 -0.70 0.42 0.72 -0.81 0.00 0.00 175.30 175.12 2ejm n HIS 76 N 5.70 -1.06 -4.24 5.12 8.25 -0.99 -4.98 115.22 123.02 2ejm n HIS 76 Ca 0.15 0.39 -0.20 0.00 -0.26 0.00 0.00 57.72 57.80 2ejm n HIS 76 Cb 0.42 -3.26 -0.12 0.00 1.12 0.00 0.00 29.99 28.15 2ejm n HIS 76 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2ejm s THR 77 N -3.17 1.44 -0.05 1.59 -4.23 -1.17 -4.87 115.64 105.17 2ejm s THR 77 Ca 0.14 -1.56 -0.30 0.00 -1.18 0.00 0.00 61.69 58.79 2ejm s THR 77 Cb -0.02 -1.44 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 2ejm s THR 77 CO 0.33 -0.24 1.22 -2.16 -0.54 0.00 0.00 174.62 173.23 2ejm s PRO 78 N -2.17 4.34 -0.22 3.99 0.04 -1.26 -1.43 135.00 138.29 2ejm s PRO 78 Ca 0.06 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 2ejm s PRO 78 Cb -0.08 -3.57 -0.08 0.00 0.04 0.00 0.00 34.50 30.81 2ejm s PRO 78 CO 0.04 -0.47 -0.34 1.28 0.04 0.00 0.00 177.00 177.54 2ejm n LEU 79 N 5.27 1.94 -4.19 -3.56 4.77 -1.17 -4.65 117.00 115.41 2ejm n LEU 79 Ca 0.11 0.34 -0.19 0.00 -0.03 0.00 0.00 56.01 56.25 2ejm n LEU 79 Cb 0.46 -0.78 -0.12 0.00 -2.33 0.00 0.00 43.42 40.65 2ejm n LEU 79 CO 0.55 0.06 -0.46 0.68 -1.33 0.00 0.00 177.39 176.89 2ejm s VAL 80 N -2.74 1.18 0.06 4.08 -7.23 -1.26 -0.72 120.40 113.77 2ejm s VAL 80 Ca -0.32 -1.39 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 2ejm s VAL 80 Cb 0.08 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2ejm s VAL 80 CO 0.45 -0.25 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.21 2ejm s GLU 81 N -1.91 2.33 0.16 4.82 2.12 -0.23 -3.81 118.70 122.17 2ejm s GLU 81 Ca 0.00 -0.89 0.03 0.00 0.36 0.00 0.00 54.97 54.47 2ejm s GLU 81 Cb -0.09 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 2ejm s GLU 81 CO 0.02 0.55 0.23 -0.06 -0.54 0.00 0.00 175.26 175.46 2ejm s PHE 82 N -1.14 3.37 0.84 5.30 0.08 -1.26 0.17 117.98 125.34 2ejm s PHE 82 Ca 0.20 0.07 -0.12 0.00 0.12 0.00 0.00 56.93 57.20 2ejm s PHE 82 Cb -0.11 -1.61 0.10 0.00 -0.57 0.00 0.00 43.02 40.82 2ejm s PHE 82 CO 0.12 0.52 1.16 -1.21 -0.10 0.00 0.00 175.22 175.70 2ejm s GLU 83 N -3.19 1.72 -0.32 0.44 0.41 -0.27 -4.47 118.70 113.02 2ejm s GLU 83 Ca 0.33 0.21 -0.28 0.00 -0.41 0.00 0.00 54.97 54.82 2ejm s GLU 83 Cb -0.11 -1.91 -0.03 0.00 -1.78 0.00 0.00 34.13 30.30 2ejm s GLU 83 CO 0.27 -1.78 2.02 -2.00 -0.49 0.00 0.00 175.26 173.27 2ejm s GLU 84 N -5.45 3.11 0.98 1.61 2.12 -1.26 -4.83 118.70 114.98 2ejm s GLU 84 Ca 0.62 1.61 -0.11 0.00 0.36 0.00 0.00 54.97 57.45 2ejm s GLU 84 Cb -0.12 -4.31 0.18 0.00 0.26 0.00 0.00 34.13 30.14 2ejm s GLU 84 CO 0.51 -2.13 1.11 -1.83 -0.54 0.00 0.00 175.26 172.38 2ejm s GLU 85 N 6.23 0.47 0.00 4.30 1.03 -1.26 -4.97 118.70 124.51 2ejm s GLU 85 Ca 0.88 1.34 0.00 0.00 0.03 0.00 0.00 54.97 57.22 2ejm s GLU 85 Cb -0.25 -1.68 0.00 0.00 -0.80 0.00 0.00 34.13 31.40 2ejm s GLU 85 CO 0.33 -2.94 0.00 -1.91 -1.33 0.00 0.00 175.26 169.41 2ejm n GLU 86 N -4.42 0.00 -3.42 -4.83 2.13 -1.26 -5.07 120.64 103.77 2ejm n GLU 86 Ca 0.09 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.53 2ejm n GLU 86 Cb 0.53 -0.20 -0.08 0.00 0.27 0.00 0.00 31.44 31.96 2ejm n GLU 86 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2ejm s SER 87 N -4.03 6.36 -0.32 4.31 0.01 -1.26 -4.98 113.70 113.77 2ejm s SER 87 Ca 0.00 0.42 -0.08 0.00 1.31 0.00 0.00 55.95 57.59 2ejm s SER 87 Cb 0.00 -2.21 0.19 0.00 0.21 0.00 0.00 66.02 64.20 2ejm s SER 87 CO 0.00 -0.09 1.01 -0.62 0.41 0.00 0.00 173.24 173.95 2ejm s ASP 88 N 1.19 -0.47 -0.32 2.44 -1.08 -1.26 -5.13 116.67 112.04 2ejm s ASP 88 Ca 0.17 -0.16 -0.09 0.00 -0.52 0.00 0.00 52.55 51.95 2ejm s ASP 88 Cb -0.15 0.77 0.01 0.00 -1.46 0.00 0.00 42.92 42.09 2ejm s ASP 88 CO 0.08 -0.06 0.13 -0.54 0.52 0.00 0.00 175.17 175.30 2ejm s LYS 89 N 2.20 3.05 -0.07 4.34 1.02 -1.26 -4.98 119.74 124.04 2ejm s LYS 89 Ca 0.18 -0.90 -0.10 0.00 0.02 0.00 0.00 55.97 55.17 2ejm s LYS 89 Cb 0.01 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 33.73 2ejm s LYS 89 CO -0.16 -0.52 0.37 -0.09 -0.92 0.00 0.00 175.35 174.03 2ejm h ARG 90 N 8.32 -0.22 -4.97 1.68 2.43 -2.05 -3.50 114.38 116.07 2ejm h ARG 90 Ca -0.29 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.90 2ejm h ARG 90 Cb 1.12 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 30.59 2ejm h ARG 90 CO 0.62 -0.04 -1.58 -1.91 -1.51 0.00 0.00 179.97 175.55 2ejm n GLU 91 N -4.92 -4.72 -3.91 0.20 2.13 -1.26 -5.06 120.64 103.09 2ejm n GLU 91 Ca -0.04 3.54 -0.11 0.00 0.66 0.00 0.00 57.16 61.21 2ejm n GLU 91 Cb 0.14 -5.09 -0.12 0.00 0.27 0.00 0.00 31.44 26.64 2ejm n GLU 91 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2ejm s SER 92 N -0.66 0.09 -0.01 4.31 1.04 -1.26 -5.16 113.70 112.05 2ejm s SER 92 Ca -0.27 -0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.00 2ejm s SER 92 Cb 0.02 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 2ejm s SER 92 CO 0.74 -0.20 -0.19 -0.70 0.98 0.00 0.00 173.24 173.87 2ejm s GLU 93 N -0.87 2.26 0.25 4.02 2.12 -1.26 -5.13 118.70 120.09 2ejm s GLU 93 Ca -0.10 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.40 2ejm s GLU 93 Cb -0.06 -2.23 -0.05 0.00 0.26 0.00 0.00 34.13 32.05 2ejm s GLU 93 CO -0.00 0.58 0.07 -1.54 -0.54 0.00 0.00 175.26 173.83 2ejm s SER 94 N -0.93 1.33 0.07 -1.70 1.04 -1.26 -5.17 113.70 107.08 2ejm s SER 94 Ca 0.12 -1.33 0.01 0.00 0.48 0.00 0.00 55.95 55.23 2ejm s SER 94 Cb -0.10 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2ejm s SER 94 CO 0.02 -0.68 -0.06 -0.83 0.98 0.00 0.00 173.24 172.67 2ejm s GLY 95 N -3.30 0.61 0.94 7.32 0.00 -1.26 -5.16 107.32 106.47 2ejm s GLY 95 Ca 0.35 -1.15 -0.13 0.00 0.00 0.00 0.00 44.72 43.79 2ejm s GLY 95 CO 0.12 -1.24 1.15 2.56 0.00 0.00 0.00 173.10 175.69 2ejm s PRO 96 N -3.24 0.89 0.09 2.90 0.04 -1.26 -5.09 135.00 129.32 2ejm s PRO 96 Ca 0.04 0.19 -0.26 0.00 0.04 0.00 0.00 61.00 61.02 2ejm s PRO 96 Cb 0.02 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.82 2ejm s PRO 96 CO -0.05 -2.35 0.82 0.45 0.04 0.00 0.00 177.00 175.91 2ejm s SER 97 N -4.10 -0.37 0.41 6.66 0.15 -1.26 -5.15 113.70 110.04 2ejm s SER 97 Ca 0.65 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2ejm s SER 97 Cb -0.13 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2ejm s SER 97 CO 0.53 -0.82 0.00 -1.20 1.20 0.00 0.00 173.24 172.96 2ejm n SER 98 N -0.34 -6.02 0.00 5.45 7.64 -1.26 -5.37 113.62 113.71 2ejm n SER 98 Ca -0.10 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.70 2ejm n SER 98 Cb 0.62 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 60.29 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64