#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 -0.39 0.00 1.61 0.01 -1.26 -5.00 113.70 108.67 2ejm s SER 2 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2ejm s SER 2 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2ejm s SER 2 CO 0.00 -0.04 0.00 -0.24 0.41 0.00 0.00 173.24 173.37 2ejm n SER 3 N 3.48 0.00 0.00 2.44 2.88 -1.26 -4.87 113.62 116.29 2ejm n SER 3 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2ejm n SER 3 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 1.05 3.68 0.46 0.00 -1.26 -4.90 105.19 104.22 2ejm n GLY 4 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2ejm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ejm s SER 5 N -4.00 7.16 -0.01 1.61 0.15 -1.26 -4.90 113.70 112.45 2ejm s SER 5 Ca 0.00 1.42 -0.04 0.00 0.70 0.00 0.00 55.95 58.03 2ejm s SER 5 Cb 0.00 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2ejm s SER 5 CO 0.00 -0.47 -0.09 -1.54 1.20 0.00 0.00 173.24 172.34 2ejm n SER 6 N 5.24 1.02 -4.56 5.45 3.41 -1.26 -4.94 113.62 117.99 2ejm n SER 6 Ca 0.08 0.15 -0.39 0.00 -0.26 0.00 0.00 58.87 58.45 2ejm n SER 6 Cb 0.48 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 2ejm n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ejm s GLY 7 N -4.56 0.29 0.03 5.00 0.00 -1.26 -4.96 107.32 101.86 2ejm s GLY 7 Ca -0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 2ejm s GLY 7 CO 0.11 3.40 0.25 0.54 0.00 0.00 0.00 173.10 177.40 2ejm s VAL 8 N 8.76 5.34 0.20 1.40 0.11 -1.26 -4.89 120.40 130.06 2ejm s VAL 8 Ca 0.70 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 2ejm s VAL 8 Cb -0.14 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 2ejm s VAL 8 CO 0.23 0.26 0.00 -1.54 -3.33 0.00 0.00 175.10 170.72 2ejm n SER 9 N 0.76 -1.84 -2.47 3.54 3.41 -1.26 -5.10 113.62 110.66 2ejm n SER 9 Ca -0.09 0.61 -0.05 0.00 -0.26 0.00 0.00 58.87 59.09 2ejm n SER 9 Cb 0.52 1.95 0.01 0.00 -0.26 0.00 0.00 64.21 66.43 2ejm n SER 9 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ejm n SER 10 N -3.09 -6.39 -4.54 4.04 2.88 -1.26 -5.06 113.62 100.20 2ejm n SER 10 Ca 0.00 0.55 -0.26 0.00 -1.33 0.00 0.00 58.87 57.83 2ejm n SER 10 Cb 0.00 -4.22 -0.09 0.00 -0.75 0.00 0.00 64.21 59.14 2ejm n SER 10 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2ejm s GLN 11 N -1.95 1.94 0.30 -1.46 -0.21 -1.26 -5.09 119.66 111.92 2ejm s GLN 11 Ca 0.14 -1.42 -0.30 0.00 0.02 0.00 0.00 55.36 53.80 2ejm s GLN 11 Cb -0.04 -2.04 -0.12 0.00 1.00 0.00 0.00 33.01 31.81 2ejm s GLN 11 CO 0.57 0.40 1.46 -0.85 -2.12 0.00 0.00 175.29 174.75 2ejm n GLU 12 N -0.20 2.38 -3.83 2.91 0.28 -1.26 -5.00 120.64 115.93 2ejm n GLU 12 Ca -0.09 0.84 -0.13 0.00 -0.16 0.00 0.00 57.16 57.62 2ejm n GLU 12 Cb 0.57 -2.54 -0.14 0.00 1.43 0.00 0.00 31.44 30.76 2ejm n GLU 12 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2ejm s THR 13 N -0.38 -0.01 -0.43 3.84 2.01 -1.26 -5.06 115.64 114.35 2ejm s THR 13 Ca 0.62 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.75 2ejm s THR 13 Cb -0.55 -0.12 0.34 0.00 0.01 0.00 0.00 72.50 72.17 2ejm s THR 13 CO 0.53 0.02 1.05 0.00 -0.69 0.00 0.00 174.62 175.53 2ejm n GLN 14 N 3.31 1.03 -3.26 4.92 0.00 -1.26 -5.05 117.38 117.07 2ejm n GLN 14 Ca -0.16 -2.32 -0.05 0.00 0.00 0.00 0.00 57.00 54.47 2ejm n GLN 14 Cb 0.57 -1.09 -0.04 0.00 0.00 0.00 0.00 30.24 29.68 2ejm n GLN 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2ejm s GLY 15 N -1.61 -0.80 0.00 2.61 0.00 -1.26 -5.10 107.32 101.16 2ejm s GLY 15 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2ejm s GLY 15 CO -0.06 3.30 0.00 0.61 0.00 0.00 0.00 173.10 176.96 2ejm n GLY 16 N 4.65 -1.46 3.79 0.20 0.00 -1.26 -4.78 105.19 106.33 2ejm n GLY 16 Ca 0.09 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.69 1.50 -0.09 1.61 0.04 -1.25 -4.98 135.00 130.13 2ejm s PRO 17 Ca 0.00 0.43 0.02 0.00 0.04 0.00 0.00 61.00 61.49 2ejm s PRO 17 Cb 0.00 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.68 2ejm s PRO 17 CO 0.00 -1.98 -0.14 -0.51 0.04 0.00 0.00 177.00 174.41 2ejm s LEU 18 N -5.94 1.68 0.43 -3.56 1.43 -1.26 -3.39 118.68 108.07 2ejm s LEU 18 Ca 0.63 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 53.12 2ejm s LEU 18 Cb -0.15 -0.99 -0.12 0.00 0.03 0.00 0.00 46.19 44.97 2ejm s LEU 18 CO 0.54 0.03 0.71 0.00 0.23 0.00 0.00 176.35 177.85 2ejm n ALA 19 N 4.03 -0.92 -0.03 4.21 0.00 -0.30 -4.74 120.51 122.76 2ejm n ALA 19 Ca -0.20 0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2ejm n ALA 19 Cb 0.51 -1.88 -0.11 0.00 0.00 0.00 0.00 19.45 17.97 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 1.01 -0.03 -4.31 0.00 0.13 -1.93 -1.74 132.00 125.14 2ejm h PRO 20 Ca -0.42 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.54 2ejm h PRO 20 Cb 1.38 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.38 2ejm h PRO 20 CO 0.53 0.67 -0.52 1.41 -0.23 0.00 0.00 178.00 179.86 2ejm s MET 21 N -3.16 1.15 -0.53 0.86 1.75 -1.26 -4.48 119.30 113.63 2ejm s MET 21 Ca -0.16 -1.45 -0.28 0.00 -1.25 0.00 0.00 55.69 52.55 2ejm s MET 21 Cb -0.01 0.30 0.00 0.00 2.84 0.00 0.00 34.83 37.97 2ejm s MET 21 CO 0.64 -0.38 1.55 0.99 -0.65 0.00 0.00 175.02 177.16 2ejm s THR 22 N -4.07 3.67 0.00 10.11 2.01 -1.26 -4.41 115.64 121.69 2ejm s THR 22 Ca 0.29 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.86 2ejm s THR 22 Cb 0.06 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2ejm s THR 22 CO 0.06 -0.99 0.00 0.61 -0.69 0.00 0.00 174.62 173.61 2ejm n GLY 23 N 5.35 5.06 3.20 4.40 0.00 -1.21 -4.78 105.19 117.22 2ejm n GLY 23 Ca 0.16 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.35 1.41 -0.16 2.61 2.01 0.11 -2.06 115.64 119.21 2ejm s THR 24 Ca 0.00 -1.15 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 2ejm s THR 24 Cb 0.00 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 2ejm s THR 24 CO 0.00 0.08 1.24 -0.63 -0.69 0.00 0.00 174.62 174.62 2ejm s ILE 25 N -0.87 4.31 -0.24 1.82 -1.09 0.58 0.14 121.20 125.84 2ejm s ILE 25 Ca 0.04 1.59 -0.15 0.00 -2.23 0.00 0.00 60.65 59.91 2ejm s ILE 25 Cb -0.09 -4.03 -0.16 0.00 -1.58 0.00 0.00 42.46 36.61 2ejm s ILE 25 CO 0.02 -0.13 -0.11 1.21 -1.23 0.00 0.00 174.94 174.70 2ejm n GLU 26 N 6.49 0.60 -4.13 2.79 4.07 0.42 0.90 120.64 131.78 2ejm n GLU 26 Ca 0.14 0.36 -0.11 0.00 -0.06 0.00 0.00 57.16 57.48 2ejm n GLU 26 Cb 0.45 -1.59 -0.10 0.00 -0.06 0.00 0.00 31.44 30.13 2ejm n GLU 26 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2ejm s LYS 27 N -2.47 0.72 -0.29 5.31 -0.14 -0.92 -4.62 119.74 117.34 2ejm s LYS 27 Ca -0.34 -1.13 -0.03 0.00 -1.36 0.00 0.00 55.97 53.11 2ejm s LYS 27 Cb 0.11 -0.22 0.10 0.00 -1.68 0.00 0.00 37.83 36.13 2ejm s LYS 27 CO 0.55 0.00 0.11 0.08 -0.76 0.00 0.00 175.35 175.34 2ejm s VAL 28 N -2.84 0.22 -0.86 3.17 1.01 -1.26 -0.12 120.40 119.72 2ejm s VAL 28 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 2ejm s VAL 28 Cb -0.00 -1.16 0.35 0.00 0.00 0.00 0.00 36.38 35.57 2ejm s VAL 28 CO -0.03 -0.67 2.01 0.49 0.00 0.00 0.00 175.10 176.90 2ejm n PHE 29 N 5.13 2.97 -3.74 5.22 3.72 0.23 -4.93 117.46 126.07 2ejm n PHE 29 Ca -0.05 -2.34 -0.06 0.00 -0.05 0.00 0.00 57.45 54.95 2ejm n PHE 29 Cb 0.43 -1.18 -0.01 0.00 -0.94 0.00 0.00 39.48 37.78 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 -0.51 0.00 -3.40 -4.37 0.24 -1.21 -4.63 118.33 104.44 2ejm n VAL 30 Ca 0.53 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2ejm n VAL 30 Cb 0.24 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 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 -0.25 0.00 -3.91 7.34 -0.00 -1.26 -5.11 118.16 114.96 2ejm n LYS 31 Ca -0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 2ejm n LYS 31 Cb 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.24 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 3.93 -1.78 0.58 0.00 -1.26 -4.24 121.76 118.00 2ejm s ALA 32 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2ejm s ALA 32 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2ejm s ALA 32 CO 0.00 0.73 0.00 0.41 0.00 0.00 0.00 175.76 176.90 2ejm n GLY 33 N 1.08 0.55 3.95 0.00 0.00 0.18 -4.98 105.19 105.98 2ejm n GLY 33 Ca -0.12 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 6.27 -0.10 1.61 2.15 -1.23 -4.95 116.67 117.99 2ejm s ASP 34 Ca 0.00 0.08 0.02 0.00 0.43 0.00 0.00 52.55 53.08 2ejm s ASP 34 Cb 0.00 -1.84 -0.01 0.00 -0.30 0.00 0.00 42.92 40.76 2ejm s ASP 34 CO 0.00 -0.03 -0.18 -0.54 -0.17 0.00 0.00 175.17 174.25 2ejm s LYS 35 N -3.77 3.02 0.16 4.34 3.01 -1.26 -2.31 119.74 122.93 2ejm s LYS 35 Ca 0.34 -0.77 0.04 0.00 -1.01 0.00 0.00 55.97 54.57 2ejm s LYS 35 Cb -0.09 -2.44 -0.05 0.00 -1.01 0.00 0.00 37.83 34.24 2ejm s LYS 35 CO 0.29 0.31 -0.06 0.14 0.51 0.00 0.00 175.35 176.53 2ejm s VAL 36 N 0.07 1.02 -0.13 3.17 -7.23 -1.24 -5.04 120.40 111.02 2ejm s VAL 36 Ca -0.07 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.03 2ejm s VAL 36 Cb -0.15 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2ejm s VAL 36 CO 0.05 -0.62 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.66 2ejm s LYS 37 N -3.81 3.41 -0.49 4.82 3.01 -1.26 -4.02 119.74 121.41 2ejm s LYS 37 Ca 0.20 -0.46 -0.45 0.00 -1.01 0.00 0.00 55.97 54.25 2ejm s LYS 37 Cb 0.04 -2.89 -0.19 0.00 -1.01 0.00 0.00 37.83 33.78 2ejm s LYS 37 CO 0.02 0.44 1.92 0.00 0.51 0.00 0.00 175.35 178.24 2ejm n ALA 38 N 2.95 -0.38 -0.29 5.17 0.00 -1.26 -1.52 120.51 125.19 2ejm n ALA 38 Ca -0.18 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.57 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 6.03 0.90 3.58 0.00 0.00 -1.19 -4.94 105.19 109.57 2ejm n GLY 39 Ca 0.45 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.95 4.59 -0.86 1.61 1.11 -0.58 -4.81 116.67 115.79 2ejm s ASP 40 Ca 0.00 -0.13 -0.25 0.00 0.18 0.00 0.00 52.55 52.35 2ejm s ASP 40 Cb 0.00 -1.08 -0.05 0.00 1.07 0.00 0.00 42.92 42.86 2ejm s ASP 40 CO 0.00 0.30 1.99 -0.94 1.18 0.00 0.00 175.17 177.70 2ejm s SER 41 N -1.26 5.03 0.00 0.27 1.04 -1.26 -2.05 113.70 115.46 2ejm s SER 41 Ca 0.16 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 2ejm s SER 41 Cb -0.11 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.45 2ejm s SER 41 CO 0.06 -2.82 0.88 -0.07 0.98 0.00 0.00 173.24 172.27 2ejm h LEU 42 N 18.19 -0.03 -8.80 2.42 3.38 -1.65 -3.40 115.31 125.42 2ejm h LEU 42 Ca 0.05 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.62 2ejm h LEU 42 Cb 1.02 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 2ejm h LEU 42 CO 1.19 -0.02 -0.52 -0.04 0.09 0.00 0.00 178.44 179.14 2ejm s MET 43 N -2.81 1.60 -0.07 1.13 -1.94 -1.25 0.78 119.30 116.73 2ejm s MET 43 Ca -0.01 -1.89 0.03 0.00 -1.71 0.00 0.00 55.69 52.11 2ejm s MET 43 Cb 0.00 0.31 0.01 0.00 2.01 0.00 0.00 34.83 37.16 2ejm s MET 43 CO 0.02 -0.58 -0.15 0.08 -0.01 0.00 0.00 175.02 174.38 2ejm s VAL 44 N -3.64 1.36 0.40 -6.03 1.01 0.83 -2.03 120.40 112.29 2ejm s VAL 44 Ca 0.40 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.85 2ejm s VAL 44 Cb 0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2ejm s VAL 44 CO 0.23 0.41 0.22 -0.04 0.00 0.00 0.00 175.10 175.91 2ejm s MET 45 N 0.60 2.32 -0.07 2.72 -1.94 -0.73 0.16 119.30 122.37 2ejm s MET 45 Ca -0.15 -1.73 -0.01 0.00 -1.71 0.00 0.00 55.69 52.09 2ejm s MET 45 Cb -0.16 -2.10 0.03 0.00 2.01 0.00 0.00 34.83 34.60 2ejm s MET 45 CO 0.05 -0.10 -0.01 0.42 -0.01 0.00 0.00 175.02 175.37 2ejm s ILE 46 N -2.55 0.40 0.00 2.53 -1.09 0.37 -1.72 121.20 119.15 2ejm s ILE 46 Ca 0.42 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 2ejm s ILE 46 Cb 0.01 -0.53 0.00 0.00 -1.58 0.00 0.00 42.46 40.36 2ejm s ILE 46 CO 0.24 0.25 0.00 0.00 -1.23 0.00 0.00 174.94 174.20 2ejm n ALA 47 N 4.93 2.71 -3.37 9.38 0.00 -1.23 0.10 120.51 133.02 2ejm n ALA 47 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 2ejm n ALA 47 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.07 3.23 -2.73 0.00 2.81 -1.26 -4.76 117.12 112.33 2ejm n MET 48 Ca 0.00 -4.55 -0.06 0.00 -1.81 0.00 0.00 57.70 51.27 2ejm n MET 48 Cb 0.00 -2.41 -0.01 0.00 -0.71 0.00 0.00 33.22 30.09 2ejm n MET 48 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2ejm n LYS 49 N 1.66 -2.71 -4.21 0.03 0.00 -1.26 -4.86 118.16 106.81 2ejm n LYS 49 Ca 0.25 0.08 -0.18 0.00 0.00 0.00 0.00 58.31 58.47 2ejm n LYS 49 Cb 0.37 -4.61 -0.12 0.00 0.00 0.00 0.00 35.03 30.67 2ejm n LYS 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2ejm s MET 50 N -5.26 0.80 -0.26 1.64 -1.94 -1.26 -5.13 119.30 107.88 2ejm s MET 50 Ca 0.10 -0.84 -0.15 0.00 -1.71 0.00 0.00 55.69 53.09 2ejm s MET 50 Cb -0.06 -0.77 -0.04 0.00 2.01 0.00 0.00 34.83 35.97 2ejm s MET 50 CO 0.12 0.18 0.39 -1.21 -0.01 0.00 0.00 175.02 174.49 2ejm s GLU 51 N -1.47 4.03 -0.20 2.03 8.01 -1.26 -3.52 118.70 126.32 2ejm s GLU 51 Ca -0.02 0.08 -0.09 0.00 0.01 0.00 0.00 54.97 54.96 2ejm s GLU 51 Cb -0.09 -3.65 -0.04 0.00 -4.31 0.00 0.00 34.13 26.04 2ejm s GLU 51 CO 0.02 -0.27 0.10 -1.01 0.01 0.00 0.00 175.26 174.10 2ejm s HIS 52 N 2.04 3.28 -0.60 1.61 3.76 -0.70 -4.95 115.29 119.74 2ejm s HIS 52 Ca 0.16 0.12 -0.17 0.00 -0.15 0.00 0.00 55.06 55.01 2ejm s HIS 52 Cb -0.16 -2.15 0.13 0.00 1.11 0.00 0.00 32.58 31.51 2ejm s HIS 52 CO 0.10 0.12 0.64 0.99 -0.85 0.00 0.00 174.74 175.74 2ejm s THR 53 N 0.61 5.05 -0.77 1.30 2.01 -1.26 -1.77 115.64 120.80 2ejm s THR 53 Ca 0.05 -1.35 -0.25 0.00 0.31 0.00 0.00 61.69 60.45 2ejm s THR 53 Cb -0.13 -4.44 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 2ejm s THR 53 CO 0.01 -1.02 1.84 -0.63 -0.69 0.00 0.00 174.62 174.13 2ejm s ILE 54 N 2.02 3.45 0.16 1.82 1.09 -0.86 -4.94 121.20 123.94 2ejm s ILE 54 Ca 0.09 -0.10 -0.30 0.00 -1.10 0.00 0.00 60.65 59.24 2ejm s ILE 54 Cb -0.25 -4.09 -0.07 0.00 -1.06 0.00 0.00 42.46 36.99 2ejm s ILE 54 CO 0.03 -1.04 0.95 -0.54 -0.10 0.00 0.00 174.94 174.24 2ejm s LYS 55 N 6.83 4.76 0.39 2.79 -0.14 -1.26 -1.93 119.74 131.19 2ejm s LYS 55 Ca 0.65 1.47 -0.27 0.00 -1.36 0.00 0.00 55.97 56.47 2ejm s LYS 55 Cb -0.09 -3.34 -0.11 0.00 -1.68 0.00 0.00 37.83 32.62 2ejm s LYS 55 CO 0.09 0.33 1.32 0.45 -0.76 0.00 0.00 175.35 176.78 2ejm n SER 56 N 2.28 2.83 0.16 2.83 2.88 -0.87 -4.88 113.62 118.85 2ejm n SER 56 Ca 0.01 1.15 0.03 0.00 -1.33 0.00 0.00 58.87 58.73 2ejm n SER 56 Cb 0.48 -1.52 0.20 0.00 -0.75 0.00 0.00 64.21 62.62 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 2.35 0.00 -2.52 -1.46 0.13 -1.94 -3.15 132.00 125.41 2ejm h PRO 57 Ca -0.48 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.79 2ejm h PRO 57 Cb 1.28 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 2ejm h PRO 57 CO 0.61 0.48 0.47 -1.59 -0.23 0.00 0.00 178.00 177.74 2ejm s LYS 58 N -3.35 1.39 -0.02 0.86 -2.85 -1.26 -4.89 119.74 109.62 2ejm s LYS 58 Ca 0.01 -0.83 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 2ejm s LYS 58 Cb 0.10 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.28 2ejm s LYS 58 CO 0.72 -0.64 1.03 0.16 0.10 0.00 0.00 175.35 176.71 2ejm s ASP 59 N -3.08 7.28 -0.02 0.03 1.47 -1.26 -4.40 116.67 116.69 2ejm s ASP 59 Ca 0.15 1.68 -0.30 0.00 1.18 0.00 0.00 52.55 55.27 2ejm s ASP 59 Cb -0.02 -2.57 0.11 0.00 -0.34 0.00 0.00 42.92 40.09 2ejm s ASP 59 CO 0.05 -0.35 0.97 -0.83 0.68 0.00 0.00 175.17 175.68 2ejm s GLY 60 N 1.07 -0.40 -0.52 2.12 0.00 -1.26 -4.95 107.32 103.38 2ejm s GLY 60 Ca 0.52 1.01 -0.18 0.00 0.00 0.00 0.00 44.72 46.07 2ejm s GLY 60 CO 0.25 0.32 0.55 -1.59 0.00 0.00 0.00 173.10 172.64 2ejm s THR 61 N -2.98 5.01 -0.39 0.90 2.01 -1.26 -3.62 115.64 115.32 2ejm s THR 61 Ca 0.07 -0.88 -0.43 0.00 0.31 0.00 0.00 61.69 60.76 2ejm s THR 61 Cb -0.01 -4.29 -0.18 0.00 0.01 0.00 0.00 72.50 68.04 2ejm s THR 61 CO -0.07 -0.80 1.70 0.52 -0.69 0.00 0.00 174.62 175.28 2ejm n VAL 62 N 5.43 0.16 -0.04 3.82 0.31 -0.98 -1.60 118.33 125.43 2ejm n VAL 62 Ca -0.10 -0.03 -0.06 0.00 -0.01 0.00 0.00 64.34 64.14 2ejm n VAL 62 Cb 0.44 -0.89 -0.05 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 6.39 -0.03 -2.17 5.55 3.64 0.17 0.52 116.57 130.65 2ejm h LYS 63 Ca -0.44 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.88 2ejm h LYS 63 Cb 1.34 0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 32.96 2ejm h LYS 63 CO 0.98 0.36 0.07 0.21 -2.27 0.00 0.00 179.45 178.80 2ejm s LYS 64 N -1.98 0.84 0.21 1.90 2.36 -1.17 -4.02 119.74 117.88 2ejm s LYS 64 Ca -0.08 0.67 -0.08 0.00 -2.55 0.00 0.00 55.97 53.93 2ejm s LYS 64 Cb -0.01 0.40 -0.07 0.00 -1.05 0.00 0.00 37.83 37.11 2ejm s LYS 64 CO 0.29 -0.16 0.51 0.08 1.55 0.00 0.00 175.35 177.61 2ejm s VAL 65 N -0.16 5.00 -0.11 4.02 1.01 -1.26 -1.72 120.40 127.19 2ejm s VAL 65 Ca -0.04 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.36 2ejm s VAL 65 Cb -0.03 -3.63 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 2ejm s VAL 65 CO 0.04 -0.07 0.05 0.49 0.00 0.00 0.00 175.10 175.60 2ejm n PHE 66 N -0.17 0.00 -4.91 5.22 3.72 -0.65 -4.98 117.46 115.69 2ejm n PHE 66 Ca -0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 2ejm n PHE 66 Cb 0.52 -0.55 -0.14 0.00 -0.94 0.00 0.00 39.48 38.37 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 -2.30 2.41 0.27 1.38 1.51 -1.21 -5.09 117.35 114.31 2ejm s TYR 67 Ca -0.06 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 2ejm s TYR 67 Cb 0.04 -1.44 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 2ejm s TYR 67 CO 0.47 0.13 0.02 0.54 -1.11 0.00 0.00 175.55 175.61 2ejm n ARG 68 N 1.87 1.15 -1.70 -0.62 1.74 -1.26 -5.01 116.66 112.83 2ejm n ARG 68 Ca -0.17 -2.01 -0.43 0.00 -0.77 0.00 0.00 57.85 54.47 2ejm n ARG 68 Cb 0.52 0.69 -0.02 0.00 -1.02 0.00 0.00 32.46 32.63 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 -0.64 2.22 -3.21 5.56 1.02 -1.26 -2.42 120.64 121.90 2ejm n GLU 69 Ca -0.09 0.79 -0.15 0.00 -0.02 0.00 0.00 57.16 57.69 2ejm n GLU 69 Cb 0.35 -2.45 0.07 0.00 -0.02 0.00 0.00 31.44 29.40 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 1.73 -0.23 3.43 0.62 0.00 0.26 -4.97 105.19 106.02 2ejm n GLY 70 Ca 0.09 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.30 2.50 -0.38 4.61 0.00 -1.01 -4.86 121.76 119.32 2ejm s ALA 71 Ca 0.03 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 2ejm s ALA 71 Cb -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2ejm s ALA 71 CO 0.61 0.56 0.35 -1.14 0.00 0.00 0.00 175.76 176.14 2ejm s GLN 72 N -2.04 3.27 0.32 0.00 0.74 -1.26 -0.31 119.66 120.37 2ejm s GLN 72 Ca 0.15 -0.71 0.07 0.00 0.05 0.00 0.00 55.36 54.93 2ejm s GLN 72 Cb -0.10 -3.90 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 2ejm s GLN 72 CO 0.07 -0.66 0.28 0.00 -0.55 0.00 0.00 175.29 174.43 2ejm s ALA 73 N 1.92 3.81 0.38 1.58 0.00 -0.88 -5.04 121.76 123.54 2ejm s ALA 73 Ca 0.09 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.53 2ejm s ALA 73 Cb -0.17 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 2ejm s ALA 73 CO 0.12 0.05 0.13 -0.80 0.00 0.00 0.00 175.76 175.26 2ejm s ASN 74 N -3.97 4.40 -0.30 0.00 0.01 -1.26 -3.29 114.94 110.52 2ejm s ASN 74 Ca 0.40 -1.00 -0.29 0.00 -0.71 0.00 0.00 52.86 51.26 2ejm s ASN 74 Cb -0.06 -0.54 -0.01 0.00 0.41 0.00 0.00 41.25 41.04 2ejm s ASN 74 CO 0.26 -0.42 1.62 -0.60 -1.51 0.00 0.00 177.10 176.46 2ejm s ARG 75 N -3.84 3.60 0.00 -0.60 3.52 -1.26 -3.23 118.95 117.14 2ejm s ARG 75 Ca 0.39 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.40 2ejm s ARG 75 Cb 0.02 -4.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 2ejm s ARG 75 CO 0.22 -1.53 0.00 0.72 -0.81 0.00 0.00 175.30 173.89 2ejm n HIS 76 N 9.11 0.00 -4.26 5.12 8.25 -0.65 -4.96 115.22 127.83 2ejm n HIS 76 Ca 0.20 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.45 2ejm n HIS 76 Cb 0.46 -2.31 -0.12 0.00 1.12 0.00 0.00 29.99 29.14 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 -2.96 1.49 -0.50 1.59 -4.23 -1.20 -4.81 115.64 105.02 2ejm s THR 77 Ca 0.00 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 58.58 2ejm s THR 77 Cb 0.00 -1.53 0.01 0.00 1.34 0.00 0.00 72.50 72.32 2ejm s THR 77 CO 0.00 -0.28 1.46 -2.16 -0.54 0.00 0.00 174.62 173.10 2ejm s PRO 78 N -2.35 3.36 -0.14 3.99 0.04 -1.26 -1.15 135.00 137.50 2ejm s PRO 78 Ca 0.08 0.69 -0.22 0.00 0.04 0.00 0.00 61.00 61.58 2ejm s PRO 78 Cb -0.07 -4.11 -0.20 0.00 0.04 0.00 0.00 34.50 30.16 2ejm s PRO 78 CO 0.04 -1.84 0.55 -0.07 0.04 0.00 0.00 177.00 175.71 2ejm h LEU 79 N 12.99 0.00 -8.76 -3.56 3.38 -1.92 -3.43 115.31 114.01 2ejm h LEU 79 Ca -0.27 -0.73 -0.37 0.00 0.09 0.00 0.00 57.88 56.60 2ejm h LEU 79 Cb 1.10 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 2ejm h LEU 79 CO 1.14 0.94 -0.71 0.68 0.09 0.00 0.00 178.44 180.58 2ejm s VAL 80 N -2.10 1.29 -0.10 1.22 -7.23 -1.26 -1.63 120.40 110.58 2ejm s VAL 80 Ca -0.16 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 57.95 2ejm s VAL 80 Cb -0.01 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2ejm s VAL 80 CO 0.53 -0.63 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.77 2ejm s GLU 81 N -3.74 2.89 0.46 4.82 2.56 -0.70 -3.93 118.70 121.06 2ejm s GLU 81 Ca 0.20 -0.82 -0.13 0.00 0.00 0.00 0.00 54.97 54.22 2ejm s GLU 81 Cb 0.02 -2.23 -0.07 0.00 2.00 0.00 0.00 34.13 33.86 2ejm s GLU 81 CO 0.04 0.12 0.87 -0.06 -0.56 0.00 0.00 175.26 175.67 2ejm s PHE 82 N 0.47 3.47 1.01 5.30 0.08 -1.26 0.18 117.98 127.24 2ejm s PHE 82 Ca -0.16 1.22 -0.13 0.00 0.12 0.00 0.00 56.93 57.98 2ejm s PHE 82 Cb -0.17 -2.59 0.20 0.00 -0.57 0.00 0.00 43.02 39.88 2ejm s PHE 82 CO 0.06 -0.24 1.09 -1.21 -0.10 0.00 0.00 175.22 174.83 2ejm s GLU 83 N -4.02 0.33 -0.68 0.44 0.41 -0.63 -4.53 118.70 110.02 2ejm s GLU 83 Ca 0.54 0.47 -0.26 0.00 -0.41 0.00 0.00 54.97 55.31 2ejm s GLU 83 Cb -0.10 -1.73 -0.00 0.00 -1.78 0.00 0.00 34.13 30.51 2ejm s GLU 83 CO 0.33 -2.79 1.68 -2.00 -0.49 0.00 0.00 175.26 171.99 2ejm s GLU 84 N -4.98 2.82 0.81 1.61 2.12 -1.26 -4.91 118.70 114.92 2ejm s GLU 84 Ca 0.66 0.23 -0.14 0.00 0.36 0.00 0.00 54.97 56.08 2ejm s GLU 84 Cb -0.19 -4.40 0.19 0.00 0.26 0.00 0.00 34.13 29.99 2ejm s GLU 84 CO 0.58 -2.58 0.95 -0.85 -0.54 0.00 0.00 175.26 172.81 2ejm n GLU 85 N 9.22 -1.56 -0.62 4.30 0.28 -1.26 -5.02 120.64 125.98 2ejm n GLU 85 Ca 0.17 -1.49 -0.29 0.00 -0.16 0.00 0.00 57.16 55.38 2ejm n GLU 85 Cb 0.51 -1.12 0.18 0.00 1.43 0.00 0.00 31.44 32.44 2ejm n GLU 85 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ejm n GLU 86 N -3.46 -1.94 -0.07 3.44 4.71 -1.26 -4.97 120.64 117.09 2ejm n GLU 86 Ca 0.12 -0.56 -0.06 0.00 -0.01 0.00 0.00 57.16 56.65 2ejm n GLU 86 Cb 0.44 -1.67 -0.04 0.00 -1.01 0.00 0.00 31.44 29.17 2ejm n GLU 86 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 2ejm h SER 87 N -2.29 0.00 -4.18 1.62 0.02 -2.00 -3.43 113.55 103.29 2ejm h SER 87 Ca -0.48 -0.20 -0.66 0.00 -0.84 0.00 0.00 61.79 59.62 2ejm h SER 87 Cb 1.25 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.40 2ejm h SER 87 CO 0.33 0.78 -0.57 -0.62 -1.14 0.00 0.00 176.83 175.61 2ejm s ASP 88 N -5.86 4.66 0.29 3.07 -1.08 -1.26 -5.05 116.67 111.44 2ejm s ASP 88 Ca -0.11 -2.81 0.00 0.00 -0.52 0.00 0.00 52.55 49.10 2ejm s ASP 88 Cb 0.01 -1.70 0.00 0.00 -1.46 0.00 0.00 42.92 39.77 2ejm s ASP 88 CO 0.24 -0.30 0.00 0.29 0.52 0.00 0.00 175.17 175.92 2ejm n LYS 89 N 3.43 -2.13 -2.19 4.34 4.01 -1.26 -4.84 118.16 119.51 2ejm n LYS 89 Ca 0.05 1.50 -0.26 0.00 -0.51 0.00 0.00 58.31 59.10 2ejm n LYS 89 Cb 0.35 -2.65 0.07 0.00 -0.51 0.00 0.00 35.03 32.29 2ejm n LYS 89 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2ejm s ARG 90 N -2.53 2.22 0.20 1.97 3.52 -1.26 -4.70 118.95 118.36 2ejm s ARG 90 Ca 0.00 -0.22 -0.23 0.00 -0.13 0.00 0.00 55.73 55.15 2ejm s ARG 90 Cb 0.00 -2.16 0.11 0.00 -1.56 0.00 0.00 34.95 31.34 2ejm s ARG 90 CO 0.00 -1.24 1.55 1.49 -0.81 0.00 0.00 175.30 176.30 2ejm h GLU 91 N -0.61 -0.05 -2.75 5.12 4.81 -2.04 -3.47 114.58 115.60 2ejm h GLU 91 Ca -0.45 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.06 2ejm h GLU 91 Cb 1.31 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.60 2ejm h GLU 91 CO 0.61 -0.03 -0.66 0.43 -0.73 0.00 0.00 179.01 178.62 2ejm n SER 92 N -5.39 -6.36 -3.35 1.04 7.64 -1.26 -4.80 113.62 101.14 2ejm n SER 92 Ca 0.06 0.76 -0.26 0.00 1.01 0.00 0.00 58.87 60.43 2ejm n SER 92 Cb 0.35 -3.85 -0.09 0.00 -1.01 0.00 0.00 64.21 59.61 2ejm n SER 92 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2ejm n GLU 93 N -3.68 0.43 -4.51 1.43 0.00 -1.26 -5.11 120.64 107.93 2ejm n GLU 93 Ca -0.03 -3.26 -0.24 0.00 0.00 0.00 0.00 57.16 53.63 2ejm n GLU 93 Cb 0.64 -1.57 -0.11 0.00 0.00 0.00 0.00 31.44 30.40 2ejm n GLU 93 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2ejm s SER 94 N -0.40 3.25 0.11 4.31 0.01 -1.26 -5.16 113.70 114.56 2ejm s SER 94 Ca 0.33 -1.28 0.04 0.00 1.31 0.00 0.00 55.95 56.36 2ejm s SER 94 Cb 0.08 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2ejm s SER 94 CO -0.17 -0.38 -0.10 -0.83 0.41 0.00 0.00 173.24 172.17 2ejm s GLY 95 N -3.57 0.91 0.93 3.44 0.00 -1.26 -5.16 107.32 102.61 2ejm s GLY 95 Ca 0.33 -1.30 -0.16 0.00 0.00 0.00 0.00 44.72 43.59 2ejm s GLY 95 CO 0.15 -1.39 1.02 -1.55 0.00 0.00 0.00 173.10 171.34 2ejm n PRO 96 N 0.26 -1.94 -1.43 2.90 -0.04 -1.26 -4.91 135.00 128.58 2ejm n PRO 96 Ca -0.14 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 2ejm n PRO 96 Cb 0.59 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2ejm n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ejm n SER 97 N -4.14 -7.74 -2.70 3.54 7.64 -1.26 -5.05 113.62 103.91 2ejm n SER 97 Ca 0.13 1.06 -0.04 0.00 1.01 0.00 0.00 58.87 61.04 2ejm n SER 97 Cb 0.49 -3.83 0.03 0.00 -1.01 0.00 0.00 64.21 59.89 2ejm n SER 97 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ejm n SER 98 N -0.13 -2.04 -0.91 6.43 2.88 -1.26 -5.27 113.62 113.32 2ejm n SER 98 Ca 0.00 -1.67 0.12 0.00 -1.33 0.00 0.00 58.87 55.99 2ejm n SER 98 Cb 0.00 1.06 0.14 0.00 -0.75 0.00 0.00 64.21 64.66 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42