#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 -6.76 0.22 1.61 3.41 -1.26 -5.02 113.62 105.82 2ejm n SER 2 Ca 0.00 0.92 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 2ejm n SER 2 Cb 0.00 -4.13 0.00 0.00 -0.26 0.00 0.00 64.21 59.82 2ejm n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ejm n SER 3 N -4.23 -3.40 0.00 4.04 3.41 -1.26 -5.18 113.62 106.99 2ejm n SER 3 Ca -0.04 0.83 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 2ejm n SER 3 Cb 0.62 3.20 0.00 0.00 -0.26 0.00 0.00 64.21 67.77 2ejm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ejm n GLY 4 N -0.79 2.15 0.00 5.00 0.00 -1.26 -5.16 105.19 105.12 2ejm n GLY 4 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 0.00 -3.64 1.61 2.88 -1.26 -5.18 113.62 108.04 2ejm n SER 5 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2ejm n SER 5 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2ejm n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ejm s SER 6 N 0.00 -0.64 0.01 -3.46 0.01 -1.26 -5.10 113.70 103.26 2ejm s SER 6 Ca 0.00 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.37 2ejm s SER 6 Cb 0.00 1.20 -0.00 0.00 0.21 0.00 0.00 66.02 67.43 2ejm s SER 6 CO 0.00 -0.18 0.01 0.61 0.41 0.00 0.00 173.24 174.09 2ejm n GLY 7 N 3.28 4.05 3.96 3.44 0.00 -1.26 -5.11 105.19 113.55 2ejm n GLY 7 Ca -0.16 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 2ejm n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ejm s VAL 8 N -1.72 2.48 -0.19 1.61 -7.23 -1.26 -4.97 120.40 109.11 2ejm s VAL 8 Ca 0.01 -0.53 -0.36 0.00 -1.81 0.00 0.00 61.98 59.29 2ejm s VAL 8 Cb 0.00 -2.95 0.14 0.00 0.56 0.00 0.00 36.38 34.14 2ejm s VAL 8 CO 0.01 0.00 1.31 -0.55 -0.31 0.00 0.00 175.10 175.56 2ejm s SER 9 N -4.50 -0.06 0.33 4.85 0.15 -1.26 -4.61 113.70 108.60 2ejm s SER 9 Ca 0.59 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 57.30 2ejm s SER 9 Cb -0.10 0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 64.23 2ejm s SER 9 CO 0.41 -0.14 -0.05 -0.44 1.20 0.00 0.00 173.24 174.23 2ejm s SER 10 N -2.33 3.22 -0.51 5.45 0.01 -1.26 -5.09 113.70 113.20 2ejm s SER 10 Ca 0.12 -1.24 -0.29 0.00 1.31 0.00 0.00 55.95 55.84 2ejm s SER 10 Cb 0.01 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.01 2ejm s SER 10 CO -0.04 -0.35 1.18 -1.58 0.41 0.00 0.00 173.24 172.87 2ejm s GLN 11 N -3.70 3.64 -0.25 12.44 0.74 -1.26 -4.88 119.66 126.39 2ejm s GLN 11 Ca 0.32 0.49 -0.27 0.00 0.05 0.00 0.00 55.36 55.96 2ejm s GLN 11 Cb 0.05 -3.95 0.13 0.00 1.10 0.00 0.00 33.01 30.33 2ejm s GLN 11 CO 0.15 -1.50 1.04 -2.00 -0.55 0.00 0.00 175.29 172.43 2ejm s GLU 12 N 4.67 0.51 0.00 1.67 2.56 -1.26 -5.10 118.70 121.75 2ejm s GLU 12 Ca 0.48 0.44 0.00 0.00 0.00 0.00 0.00 54.97 55.88 2ejm s GLU 12 Cb -0.08 0.25 0.00 0.00 2.00 0.00 0.00 34.13 36.30 2ejm s GLU 12 CO 0.30 -0.10 0.00 2.41 -0.56 0.00 0.00 175.26 177.31 2ejm n THR 13 N 1.73 0.00 -2.47 -1.70 -1.04 -1.26 -4.83 114.28 104.72 2ejm n THR 13 Ca -0.12 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.53 2ejm n THR 13 Cb 0.56 -0.39 -0.03 0.00 -1.82 0.00 0.00 70.33 68.65 2ejm n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ejm s GLN 14 N -0.97 3.99 0.00 -2.82 -2.07 -1.26 -4.53 119.66 111.99 2ejm s GLN 14 Ca 0.00 1.55 0.00 0.00 -1.82 0.00 0.00 55.36 55.09 2ejm s GLN 14 Cb 0.00 -2.42 0.00 0.00 -1.09 0.00 0.00 33.01 29.50 2ejm s GLN 14 CO 0.00 -0.31 0.00 0.41 -1.32 0.00 0.00 175.29 174.07 2ejm n GLY 15 N 0.26 0.40 0.00 2.60 0.00 -1.26 -5.08 105.19 102.11 2ejm n GLY 15 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.37 3.05 3.81 -0.02 0.00 -1.26 -4.27 105.19 106.14 2ejm n GLY 16 Ca 0.00 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.41 2.67 -0.14 1.61 0.04 -1.25 -4.97 135.00 129.54 2ejm s PRO 17 Ca 0.00 0.86 0.02 0.00 0.04 0.00 0.00 61.00 61.92 2ejm s PRO 17 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2ejm s PRO 17 CO 0.00 -1.26 -0.22 -0.51 0.04 0.00 0.00 177.00 175.05 2ejm s LEU 18 N -5.62 2.09 0.29 -3.56 1.43 -1.26 -3.34 118.68 108.72 2ejm s LEU 18 Ca 0.59 -0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 2ejm s LEU 18 Cb -0.14 -1.43 -0.15 0.00 0.03 0.00 0.00 46.19 44.50 2ejm s LEU 18 CO 0.55 0.08 0.61 0.00 0.23 0.00 0.00 176.35 177.81 2ejm n ALA 19 N 4.07 -1.94 0.02 4.21 0.00 -0.05 -4.70 120.51 122.13 2ejm n ALA 19 Ca -0.20 0.34 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 2ejm n ALA 19 Cb 0.52 -1.73 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 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 1.14 -0.14 -4.19 0.00 0.13 -1.92 -0.81 132.00 126.21 2ejm h PRO 20 Ca -0.34 0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.63 2ejm h PRO 20 Cb 1.41 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.45 2ejm h PRO 20 CO 0.56 0.34 -0.39 1.41 -0.23 0.00 0.00 178.00 179.69 2ejm s MET 21 N -2.97 1.39 0.15 0.86 -2.45 -1.26 -4.37 119.30 110.65 2ejm s MET 21 Ca -0.12 -1.49 -0.32 0.00 -1.25 0.00 0.00 55.69 52.51 2ejm s MET 21 Cb -0.00 0.36 -0.12 0.00 1.25 0.00 0.00 34.83 36.32 2ejm s MET 21 CO 0.46 -0.52 1.76 2.41 1.05 0.00 0.00 175.02 180.17 2ejm n THR 22 N -0.34 0.17 -3.86 10.11 -1.04 -1.26 -4.57 114.28 113.49 2ejm n THR 22 Ca 0.01 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 61.97 2ejm n THR 22 Cb 0.64 -1.97 0.01 0.00 -1.82 0.00 0.00 70.33 67.19 2ejm n THR 22 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2ejm s GLY 23 N 1.88 -0.03 0.04 3.41 0.00 -1.24 -4.48 107.32 106.89 2ejm s GLY 23 Ca 0.79 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 45.47 2ejm s GLY 23 CO 0.36 2.44 -0.13 -1.59 0.00 0.00 0.00 173.10 174.18 2ejm s THR 24 N -2.32 3.20 -0.28 0.90 2.01 -0.89 -2.65 115.64 115.60 2ejm s THR 24 Ca 0.21 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 2ejm s THR 24 Cb -0.01 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.11 2ejm s THR 24 CO 0.03 0.31 1.20 -0.63 -0.69 0.00 0.00 174.62 174.84 2ejm s ILE 25 N -1.01 4.32 -0.22 1.82 -1.09 -0.44 0.55 121.20 125.13 2ejm s ILE 25 Ca 0.17 1.52 -0.17 0.00 -2.23 0.00 0.00 60.65 59.94 2ejm s ILE 25 Cb -0.11 -4.23 -0.17 0.00 -1.58 0.00 0.00 42.46 36.37 2ejm s ILE 25 CO 0.08 -0.41 0.03 1.21 -1.23 0.00 0.00 174.94 174.62 2ejm n GLU 26 N 7.00 0.59 -4.10 2.79 4.07 0.35 0.51 120.64 131.85 2ejm n GLU 26 Ca 0.13 0.44 -0.14 0.00 -0.06 0.00 0.00 57.16 57.53 2ejm n GLU 26 Cb 0.46 -1.66 -0.11 0.00 -0.06 0.00 0.00 31.44 30.07 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 -2.43 0.64 -0.28 5.31 -0.14 -0.90 -4.73 119.74 117.21 2ejm s LYS 27 Ca -0.32 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 53.42 2ejm s LYS 27 Cb 0.09 -0.44 0.09 0.00 -1.68 0.00 0.00 37.83 35.89 2ejm s LYS 27 CO 0.58 0.08 0.07 0.08 -0.76 0.00 0.00 175.35 175.40 2ejm s VAL 28 N -1.53 0.83 -0.77 3.17 1.01 -1.26 0.75 120.40 122.60 2ejm s VAL 28 Ca -0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 2ejm s VAL 28 Cb -0.09 -1.53 0.29 0.00 0.00 0.00 0.00 36.38 35.05 2ejm s VAL 28 CO 0.01 -0.54 2.19 0.49 0.00 0.00 0.00 175.10 177.24 2ejm n PHE 29 N 4.89 2.68 -3.97 5.22 3.72 0.47 -4.91 117.46 125.55 2ejm n PHE 29 Ca -0.04 -2.24 -0.10 0.00 -0.05 0.00 0.00 57.45 55.02 2ejm n PHE 29 Cb 0.43 -1.23 -0.03 0.00 -0.94 0.00 0.00 39.48 37.71 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 -0.22 0.00 0.00 -4.37 0.24 -1.19 -4.59 118.33 108.20 2ejm n VAL 30 Ca 0.53 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2ejm n VAL 30 Cb 0.30 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 -0.35 0.00 -2.38 7.34 -0.00 -1.26 -5.08 118.16 116.43 2ejm n LYS 31 Ca 0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.95 2ejm n LYS 31 Cb 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.35 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 -2.00 3.19 -1.78 0.58 0.00 -1.26 -2.76 121.76 117.74 2ejm s ALA 32 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2ejm s ALA 32 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2ejm s ALA 32 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2ejm n GLY 33 N 0.67 0.75 3.97 0.00 0.00 0.49 -4.97 105.19 106.09 2ejm n GLY 33 Ca 0.03 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.50 5.29 -0.06 1.61 2.15 -1.11 -4.88 116.67 117.16 2ejm s ASP 34 Ca 0.00 -0.03 0.03 0.00 0.43 0.00 0.00 52.55 52.98 2ejm s ASP 34 Cb 0.00 -0.86 0.01 0.00 -0.30 0.00 0.00 42.92 41.76 2ejm s ASP 34 CO 0.00 -1.13 -0.16 -0.54 -0.17 0.00 0.00 175.17 173.17 2ejm s LYS 35 N -4.74 1.99 0.08 4.34 -0.14 -1.26 -1.49 119.74 118.51 2ejm s LYS 35 Ca 0.57 -0.57 0.02 0.00 -1.36 0.00 0.00 55.97 54.63 2ejm s LYS 35 Cb -0.10 -1.63 -0.04 0.00 -1.68 0.00 0.00 37.83 34.38 2ejm s LYS 35 CO 0.38 0.13 -0.07 0.14 -0.76 0.00 0.00 175.35 175.17 2ejm s VAL 36 N 0.40 0.67 -0.10 3.17 -7.23 -1.15 -4.99 120.40 111.16 2ejm s VAL 36 Ca -0.12 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 2ejm s VAL 36 Cb -0.15 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 2ejm s VAL 36 CO 0.04 -0.69 -0.06 -0.54 -0.31 0.00 0.00 175.10 173.54 2ejm s LYS 37 N -3.04 3.13 -0.49 4.82 3.01 -1.26 -3.41 119.74 122.50 2ejm s LYS 37 Ca 0.04 -0.54 -0.44 0.00 -1.01 0.00 0.00 55.97 54.03 2ejm s LYS 37 Cb -0.00 -2.72 -0.19 0.00 -1.01 0.00 0.00 37.83 33.91 2ejm s LYS 37 CO -0.03 0.49 1.98 0.00 0.51 0.00 0.00 175.35 178.30 2ejm n ALA 38 N 2.76 -0.16 -0.13 5.17 0.00 -1.26 -0.36 120.51 126.53 2ejm n ALA 38 Ca -0.18 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2ejm n ALA 38 Cb 0.53 -2.01 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 6.54 1.75 3.90 0.00 0.00 -1.15 -4.92 105.19 111.30 2ejm n GLY 39 Ca 0.48 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.06 6.21 -0.70 1.61 1.11 0.51 -4.74 116.67 118.62 2ejm s ASP 40 Ca 0.00 0.22 -0.27 0.00 0.18 0.00 0.00 52.55 52.68 2ejm s ASP 40 Cb 0.00 -1.87 0.01 0.00 1.07 0.00 0.00 42.92 42.12 2ejm s ASP 40 CO 0.00 0.16 1.54 -0.94 1.18 0.00 0.00 175.17 177.12 2ejm s SER 41 N -2.53 5.77 -0.00 0.27 1.04 -1.26 -1.51 113.70 115.48 2ejm s SER 41 Ca 0.34 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 2ejm s SER 41 Cb -0.13 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 2ejm s SER 41 CO 0.27 -2.08 0.45 -0.07 0.98 0.00 0.00 173.24 172.79 2ejm h LEU 42 N 14.57 -0.07 -8.75 2.42 3.38 -1.67 -3.41 115.31 121.77 2ejm h LEU 42 Ca -0.25 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.35 2ejm h LEU 42 Cb 1.09 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 2ejm h LEU 42 CO 1.26 -0.01 -0.48 -0.04 0.09 0.00 0.00 178.44 179.26 2ejm s MET 43 N -2.05 1.61 -0.12 1.13 -1.94 -1.25 0.18 119.30 116.86 2ejm s MET 43 Ca -0.01 -1.86 0.01 0.00 -1.71 0.00 0.00 55.69 52.12 2ejm s MET 43 Cb 0.00 0.33 0.02 0.00 2.01 0.00 0.00 34.83 37.19 2ejm s MET 43 CO 0.03 -0.59 -0.13 0.08 -0.01 0.00 0.00 175.02 174.40 2ejm s VAL 44 N -3.62 1.40 0.39 -6.03 1.01 0.23 -2.09 120.40 111.69 2ejm s VAL 44 Ca 0.39 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.88 2ejm s VAL 44 Cb 0.03 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2ejm s VAL 44 CO 0.22 0.42 0.36 -0.04 0.00 0.00 0.00 175.10 176.06 2ejm s MET 45 N 1.22 2.59 -0.32 2.72 -1.94 -1.01 0.13 119.30 122.70 2ejm s MET 45 Ca -0.02 -1.46 0.00 0.00 -1.71 0.00 0.00 55.69 52.50 2ejm s MET 45 Cb -0.14 -2.41 0.10 0.00 2.01 0.00 0.00 34.83 34.39 2ejm s MET 45 CO -0.05 -0.12 0.09 0.42 -0.01 0.00 0.00 175.02 175.36 2ejm s ILE 46 N -2.42 1.13 0.26 2.53 -1.09 0.19 -1.94 121.20 119.85 2ejm s ILE 46 Ca 0.46 -1.58 0.04 0.00 -2.23 0.00 0.00 60.65 57.35 2ejm s ILE 46 Cb -0.04 -1.85 -0.06 0.00 -1.58 0.00 0.00 42.46 38.93 2ejm s ILE 46 CO 0.28 -0.67 -0.01 0.00 -1.23 0.00 0.00 174.94 173.31 2ejm s ALA 47 N 1.48 2.04 -1.30 9.38 0.00 -0.60 -2.09 121.76 130.67 2ejm s ALA 47 Ca 0.10 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2ejm s ALA 47 Cb -0.18 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.39 2ejm s ALA 47 CO -0.22 -0.22 0.00 -1.33 0.00 0.00 0.00 175.76 173.99 2ejm n MET 48 N -0.51 -1.29 -1.19 0.00 2.81 -1.26 0.19 117.12 115.86 2ejm n MET 48 Ca -0.05 0.72 -0.07 0.00 -1.81 0.00 0.00 57.70 56.50 2ejm n MET 48 Cb 0.64 -4.96 -0.03 0.00 -0.71 0.00 0.00 33.22 28.16 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 -1.84 -0.66 -4.43 0.03 4.76 -1.26 -4.98 118.16 109.77 2ejm n LYS 49 Ca -0.12 0.67 -0.27 0.00 -2.87 0.00 0.00 58.31 55.71 2ejm n LYS 49 Cb 0.41 -4.48 -0.07 0.00 -1.84 0.00 0.00 35.03 29.05 2ejm n LYS 49 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2ejm n MET 50 N -2.42 0.65 -4.77 1.97 2.81 0.51 -5.15 117.12 110.71 2ejm n MET 50 Ca -0.07 -3.46 -0.33 0.00 -1.81 0.00 0.00 57.70 52.03 2ejm n MET 50 Cb 0.27 1.60 -0.12 0.00 -0.71 0.00 0.00 33.22 34.25 2ejm n MET 50 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2ejm s GLU 51 N -3.60 2.69 0.12 0.03 2.12 -1.26 -1.56 118.70 117.24 2ejm s GLU 51 Ca 0.15 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.87 2ejm s GLU 51 Cb 0.01 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 2ejm s GLU 51 CO 0.10 0.60 -0.08 -1.01 -0.54 0.00 0.00 175.26 174.33 2ejm s HIS 52 N -0.65 1.04 -0.28 5.30 3.76 -0.82 -4.97 115.29 118.67 2ejm s HIS 52 Ca 0.10 -0.84 0.03 0.00 -0.15 0.00 0.00 55.06 54.19 2ejm s HIS 52 Cb -0.11 -0.57 0.07 0.00 1.11 0.00 0.00 32.58 33.08 2ejm s HIS 52 CO 0.01 -0.05 -0.05 0.99 -0.85 0.00 0.00 174.74 174.79 2ejm s THR 53 N -3.45 2.07 -0.19 1.30 2.01 -1.26 -2.39 115.64 113.73 2ejm s THR 53 Ca 0.13 -1.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.07 2ejm s THR 53 Cb 0.04 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2ejm s THR 53 CO -0.03 -0.21 1.44 -0.63 -0.69 0.00 0.00 174.62 174.50 2ejm s ILE 54 N 1.10 3.96 0.31 1.82 1.09 -0.89 -4.99 121.20 123.60 2ejm s ILE 54 Ca -0.03 1.12 -0.05 0.00 -1.10 0.00 0.00 60.65 60.60 2ejm s ILE 54 Cb -0.19 -3.85 -0.05 0.00 -1.06 0.00 0.00 42.46 37.30 2ejm s ILE 54 CO -0.07 -0.24 0.58 -0.54 -0.10 0.00 0.00 174.94 174.57 2ejm s LYS 55 N 4.08 3.62 0.31 2.79 -0.14 -1.26 -2.11 119.74 127.03 2ejm s LYS 55 Ca 0.63 0.00 -0.28 0.00 -1.36 0.00 0.00 55.97 54.96 2ejm s LYS 55 Cb -0.24 -2.62 -0.09 0.00 -1.68 0.00 0.00 37.83 33.20 2ejm s LYS 55 CO 0.23 0.17 1.11 0.45 -0.76 0.00 0.00 175.35 176.55 2ejm s SER 56 N -3.32 7.08 0.26 2.83 0.15 -0.57 -4.88 113.70 115.25 2ejm s SER 56 Ca 0.44 2.27 0.12 0.00 0.70 0.00 0.00 55.95 59.48 2ejm s SER 56 Cb -0.10 -2.62 0.25 0.00 -1.71 0.00 0.00 66.02 61.84 2ejm s SER 56 CO 0.32 -0.27 1.54 1.55 1.20 0.00 0.00 173.24 177.57 2ejm h PRO 57 N 3.47 0.00 -2.32 5.44 0.13 -1.95 -3.04 132.00 133.72 2ejm h PRO 57 Ca -0.47 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.84 2ejm h PRO 57 Cb 1.22 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2ejm h PRO 57 CO 0.66 0.65 0.49 -1.59 -0.23 0.00 0.00 178.00 177.98 2ejm s LYS 58 N -3.32 1.18 0.37 0.86 -2.85 -1.26 -4.87 119.74 109.85 2ejm s LYS 58 Ca 0.00 -0.65 -0.25 0.00 -1.00 0.00 0.00 55.97 54.07 2ejm s LYS 58 Cb 0.11 0.40 -0.10 0.00 -2.06 0.00 0.00 37.83 36.19 2ejm s LYS 58 CO 0.76 -0.54 1.00 0.16 0.10 0.00 0.00 175.35 176.83 2ejm s ASP 59 N -2.94 7.03 0.00 0.03 -4.77 -1.26 -4.33 116.67 110.43 2ejm s ASP 59 Ca 0.12 1.93 0.00 0.00 -3.30 0.00 0.00 52.55 51.31 2ejm s ASP 59 Cb -0.01 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 2ejm s ASP 59 CO 0.02 -0.30 0.00 0.61 0.70 0.00 0.00 175.17 176.20 2ejm n GLY 60 N 0.37 0.09 3.44 2.12 0.00 -1.22 -4.92 105.19 105.06 2ejm n GLY 60 Ca 0.04 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 5.24 -0.74 2.61 2.01 -1.26 -2.93 115.64 118.57 2ejm s THR 61 Ca 0.00 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 2ejm s THR 61 Cb 0.00 -4.00 -0.15 0.00 0.01 0.00 0.00 72.50 68.35 2ejm s THR 61 CO 0.00 -0.41 2.53 0.52 -0.69 0.00 0.00 174.62 176.57 2ejm n VAL 62 N 5.20 -0.02 0.35 3.82 0.31 -0.56 -1.87 118.33 125.56 2ejm n VAL 62 Ca -0.11 -0.33 -0.15 0.00 -0.01 0.00 0.00 64.34 63.74 2ejm n VAL 62 Cb 0.46 -1.47 -0.07 0.00 -0.91 0.00 0.00 33.84 31.84 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 14.84 -0.91 -2.12 5.55 3.64 -1.36 1.44 116.57 137.65 2ejm h LYS 63 Ca -0.14 0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2ejm h LYS 63 Cb 1.30 0.21 -0.20 0.00 -0.41 0.00 0.00 32.23 33.12 2ejm h LYS 63 CO 1.26 -0.61 0.11 0.21 -2.27 0.00 0.00 179.45 178.15 2ejm s LYS 64 N -5.19 0.91 0.04 1.90 2.36 -1.24 -3.18 119.74 115.34 2ejm s LYS 64 Ca -0.14 0.54 -0.16 0.00 -2.55 0.00 0.00 55.97 53.65 2ejm s LYS 64 Cb 0.02 0.43 -0.06 0.00 -1.05 0.00 0.00 37.83 37.17 2ejm s LYS 64 CO 0.45 -0.21 0.49 0.08 1.55 0.00 0.00 175.35 177.70 2ejm s VAL 65 N -0.50 4.90 -0.24 4.02 1.01 -1.26 -1.52 120.40 126.80 2ejm s VAL 65 Ca -0.06 0.99 0.05 0.00 0.00 0.00 0.00 61.98 62.95 2ejm s VAL 65 Cb -0.02 -3.79 -0.18 0.00 0.00 0.00 0.00 36.38 32.38 2ejm s VAL 65 CO 0.06 0.54 -0.17 0.49 0.00 0.00 0.00 175.10 176.01 2ejm n PHE 66 N 1.67 0.00 -4.09 5.22 3.72 -0.56 -4.97 117.46 118.44 2ejm n PHE 66 Ca -0.12 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.97 2ejm n PHE 66 Cb 0.52 -0.98 -0.07 0.00 -0.94 0.00 0.00 39.48 38.01 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 -2.50 3.19 0.39 1.38 1.51 -1.09 -5.08 117.35 115.14 2ejm s TYR 67 Ca -0.30 0.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 2ejm s TYR 67 Cb 0.08 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 2ejm s TYR 67 CO 0.63 0.52 0.16 1.03 -1.11 0.00 0.00 175.55 176.78 2ejm s ARG 68 N -2.11 1.88 0.15 -0.62 0.52 -1.26 -4.99 118.95 112.52 2ejm s ARG 68 Ca 0.26 -2.13 -0.34 0.00 -0.52 0.00 0.00 55.73 53.00 2ejm s ARG 68 Cb -0.12 -0.40 -0.13 0.00 0.52 0.00 0.00 34.95 34.82 2ejm s ARG 68 CO 0.18 -0.51 1.63 0.39 0.02 0.00 0.00 175.30 177.00 2ejm n GLU 69 N -0.84 2.27 -1.64 3.54 1.02 -1.26 -1.41 120.64 122.32 2ejm n GLU 69 Ca -0.03 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 2ejm n GLU 69 Cb 0.64 -2.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 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 3.59 0.48 3.81 0.62 0.00 0.18 -4.99 105.19 108.87 2ejm n GLY 70 Ca 0.17 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.00 3.66 -0.37 4.61 0.00 -0.50 -4.88 121.76 122.29 2ejm s ALA 71 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 2ejm s ALA 71 Cb 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.51 2ejm s ALA 71 CO 0.00 0.71 0.20 -1.14 0.00 0.00 0.00 175.76 175.52 2ejm s GLN 72 N -1.82 2.87 0.32 0.00 0.74 -1.26 -1.33 119.66 119.18 2ejm s GLN 72 Ca 0.24 -1.05 0.07 0.00 0.05 0.00 0.00 55.36 54.67 2ejm s GLN 72 Cb -0.12 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.26 2ejm s GLN 72 CO 0.15 -0.67 0.36 0.00 -0.55 0.00 0.00 175.29 174.59 2ejm s ALA 73 N 1.55 4.00 0.39 1.58 0.00 -1.09 -4.75 121.76 123.44 2ejm s ALA 73 Ca 0.02 -1.52 0.08 0.00 0.00 0.00 0.00 51.96 50.54 2ejm s ALA 73 Cb -0.19 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 2ejm s ALA 73 CO 0.06 0.03 0.14 -0.80 0.00 0.00 0.00 175.76 175.19 2ejm s ASN 74 N -4.06 4.38 -0.22 0.00 -0.87 -1.26 -3.72 114.94 109.19 2ejm s ASN 74 Ca 0.41 -1.05 -0.29 0.00 -1.57 0.00 0.00 52.86 50.37 2ejm s ASN 74 Cb -0.08 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.25 40.61 2ejm s ASN 74 CO 0.29 -0.47 1.91 -0.13 -2.57 0.00 0.00 177.10 176.13 2ejm s ARG 75 N -3.86 3.48 -0.03 -0.60 0.52 -1.26 -3.04 118.95 114.16 2ejm s ARG 75 Ca 0.39 1.83 -0.00 0.00 -0.52 0.00 0.00 55.73 57.43 2ejm s ARG 75 Cb 0.03 -4.21 -0.00 0.00 0.52 0.00 0.00 34.95 31.29 2ejm s ARG 75 CO 0.22 -1.69 0.03 1.58 0.02 0.00 0.00 175.30 175.46 2ejm n HIS 76 N 9.95 -0.10 -4.18 -0.53 -0.00 -0.31 -4.99 115.22 115.05 2ejm n HIS 76 Ca 0.24 0.04 -0.15 0.00 0.46 0.00 0.00 57.72 58.31 2ejm n HIS 76 Cb 0.45 -2.07 -0.11 0.00 -0.12 0.00 0.00 29.99 28.14 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 -3.01 1.00 -0.16 3.57 -4.23 -1.17 -4.82 115.64 106.82 2ejm s THR 77 Ca 0.01 -1.62 -0.29 0.00 -1.18 0.00 0.00 61.69 58.60 2ejm s THR 77 Cb -0.00 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.47 2ejm s THR 77 CO 0.03 -0.52 1.27 -2.16 -0.54 0.00 0.00 174.62 172.70 2ejm s PRO 78 N -2.70 4.23 -0.20 3.99 0.04 -1.26 -0.87 135.00 138.24 2ejm s PRO 78 Ca 0.05 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 2ejm s PRO 78 Cb -0.04 -3.77 -0.07 0.00 0.04 0.00 0.00 34.50 30.66 2ejm s PRO 78 CO 0.01 -0.71 -0.31 1.28 0.04 0.00 0.00 177.00 177.31 2ejm n LEU 79 N 6.59 1.92 -4.29 -3.56 4.77 -1.21 -4.66 117.00 116.56 2ejm n LEU 79 Ca 0.14 0.38 -0.22 0.00 -0.03 0.00 0.00 56.01 56.28 2ejm n LEU 79 Cb 0.45 -0.78 -0.12 0.00 -2.33 0.00 0.00 43.42 40.64 2ejm n LEU 79 CO 0.56 -0.10 -0.49 0.68 -1.33 0.00 0.00 177.39 176.71 2ejm s VAL 80 N -2.72 1.66 0.21 4.08 -7.23 -1.26 -1.50 120.40 113.65 2ejm s VAL 80 Ca -0.29 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2ejm s VAL 80 Cb 0.06 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 2ejm s VAL 80 CO 0.42 -0.23 0.04 -0.70 -0.31 0.00 0.00 175.10 174.32 2ejm s GLU 81 N -2.38 2.48 0.14 4.82 2.12 -0.58 -3.91 118.70 121.40 2ejm s GLU 81 Ca 0.10 -1.18 0.08 0.00 0.36 0.00 0.00 54.97 54.33 2ejm s GLU 81 Cb -0.07 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 2ejm s GLU 81 CO 0.05 0.42 -0.10 -0.06 -0.54 0.00 0.00 175.26 175.03 2ejm s PHE 82 N -1.97 2.68 0.87 5.30 0.08 -1.26 -1.11 117.98 122.57 2ejm s PHE 82 Ca 0.30 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 57.04 2ejm s PHE 82 Cb -0.08 -1.35 0.12 0.00 -0.57 0.00 0.00 43.02 41.13 2ejm s PHE 82 CO 0.20 0.47 1.09 -1.21 -0.10 0.00 0.00 175.22 175.67 2ejm s GLU 83 N -2.53 1.43 0.55 0.44 0.41 -0.78 -4.57 118.70 113.64 2ejm s GLU 83 Ca 0.23 0.91 -0.21 0.00 -0.41 0.00 0.00 54.97 55.50 2ejm s GLU 83 Cb -0.10 -1.82 -0.05 0.00 -1.78 0.00 0.00 34.13 30.38 2ejm s GLU 83 CO 0.14 -2.15 1.27 -1.21 -0.49 0.00 0.00 175.26 172.82 2ejm s GLU 84 N -4.91 3.17 0.30 1.61 0.41 -1.26 -4.92 118.70 113.10 2ejm s GLU 84 Ca 0.63 2.00 0.03 0.00 -0.41 0.00 0.00 54.97 57.22 2ejm s GLU 84 Cb -0.18 -2.15 -0.04 0.00 -1.78 0.00 0.00 34.13 29.97 2ejm s GLU 84 CO 0.57 -1.09 0.13 -1.21 -0.49 0.00 0.00 175.26 173.16 2ejm s GLU 85 N -3.03 1.57 -0.04 1.61 0.41 -1.26 -5.07 118.70 112.89 2ejm s GLU 85 Ca 0.73 -1.89 0.03 0.00 -0.41 0.00 0.00 54.97 53.43 2ejm s GLU 85 Cb -0.35 -0.26 0.01 0.00 -1.78 0.00 0.00 34.13 31.75 2ejm s GLU 85 CO 0.40 -0.38 -0.12 -1.21 -0.49 0.00 0.00 175.26 173.46 2ejm s GLU 86 N -3.89 1.40 -0.43 1.61 2.02 -1.26 -5.11 118.70 113.04 2ejm s GLU 86 Ca 0.35 -0.40 -0.15 0.00 0.02 0.00 0.00 54.97 54.79 2ejm s GLU 86 Cb 0.06 -1.22 0.04 0.00 0.10 0.00 0.00 34.13 33.11 2ejm s GLU 86 CO 0.16 0.10 0.34 0.45 0.02 0.00 0.00 175.26 176.32 2ejm s SER 87 N 0.38 6.13 -0.46 -0.19 0.15 -1.26 -4.95 113.70 113.49 2ejm s SER 87 Ca -0.08 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.61 2ejm s SER 87 Cb -0.12 -2.17 0.19 0.00 -1.71 0.00 0.00 66.02 62.20 2ejm s SER 87 CO 0.02 -0.52 0.72 -1.81 1.20 0.00 0.00 173.24 172.85 2ejm s ASP 88 N 1.98 -1.41 0.00 5.45 1.11 -1.26 -4.97 116.67 117.57 2ejm s ASP 88 Ca 0.05 -1.26 0.16 0.00 0.18 0.00 0.00 52.55 51.68 2ejm s ASP 88 Cb -0.21 1.82 -0.14 0.00 1.07 0.00 0.00 42.92 45.46 2ejm s ASP 88 CO 0.09 -0.09 0.71 0.29 1.18 0.00 0.00 175.17 177.35 2ejm n LYS 89 N 3.53 1.72 -2.96 8.23 5.02 -1.26 -5.05 118.16 127.38 2ejm n LYS 89 Ca 0.15 -0.14 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ejm n LYS 89 Cb 0.57 -1.26 -0.00 0.00 -0.02 0.00 0.00 35.03 34.32 2ejm n LYS 89 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ejm n ARG 90 N -1.16 -1.91 -2.14 1.97 5.12 -1.26 -4.87 116.66 112.41 2ejm n ARG 90 Ca 0.04 1.78 -0.39 0.00 -1.93 0.00 0.00 57.85 57.35 2ejm n ARG 90 Cb 0.27 -2.91 -0.01 0.00 -1.16 0.00 0.00 32.46 28.65 2ejm n ARG 90 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2ejm s GLU 91 N -1.10 3.96 -0.35 5.56 2.12 -1.26 -5.01 118.70 122.62 2ejm s GLU 91 Ca -0.02 2.03 0.02 0.00 0.36 0.00 0.00 54.97 57.35 2ejm s GLU 91 Cb 0.00 -2.70 0.15 0.00 0.26 0.00 0.00 34.13 31.85 2ejm s GLU 91 CO 0.35 -0.46 0.35 0.45 -0.54 0.00 0.00 175.26 175.42 2ejm s SER 92 N -0.92 1.31 0.20 -1.70 0.15 -1.26 -5.14 113.70 106.34 2ejm s SER 92 Ca 0.58 -1.35 0.06 0.00 0.70 0.00 0.00 55.95 55.94 2ejm s SER 92 Cb -0.35 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 2ejm s SER 92 CO 0.44 -0.30 -0.10 -0.70 1.20 0.00 0.00 173.24 173.79 2ejm s GLU 93 N 1.70 1.27 -0.09 5.44 2.12 -1.26 -5.09 118.70 122.78 2ejm s GLU 93 Ca 0.15 -1.58 -0.06 0.00 0.36 0.00 0.00 54.97 53.83 2ejm s GLU 93 Cb -0.15 -0.88 -0.02 0.00 0.26 0.00 0.00 34.13 33.34 2ejm s GLU 93 CO -0.12 0.09 -0.12 0.45 -0.54 0.00 0.00 175.26 175.01 2ejm n SER 94 N -0.35 1.06 0.00 -1.70 2.88 -1.26 -5.10 113.62 109.16 2ejm n SER 94 Ca -0.08 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2ejm n SER 94 Cb 0.61 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2ejm n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ejm n GLY 95 N 1.63 2.07 3.58 0.46 0.00 -1.26 -5.07 105.19 106.61 2ejm n GLY 95 Ca -0.05 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2ejm n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ejm s PRO 96 N -0.41 3.34 0.33 1.61 0.04 -1.26 -4.74 135.00 133.91 2ejm s PRO 96 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2ejm s PRO 96 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2ejm s PRO 96 CO 0.00 -1.87 0.00 0.45 0.04 0.00 0.00 177.00 175.62 2ejm n SER 97 N 9.59 -4.45 -1.85 6.66 2.88 -1.26 -5.04 113.62 120.16 2ejm n SER 97 Ca 0.15 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 2ejm n SER 97 Cb 0.49 -2.45 0.00 0.00 -0.75 0.00 0.00 64.21 61.50 2ejm n SER 97 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ejm n SER 98 N -2.56 -7.45 0.00 -3.46 7.64 -1.26 -5.22 113.62 101.32 2ejm n SER 98 Ca -0.02 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2ejm n SER 98 Cb 0.31 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64