#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 -3.60 -3.60 1.61 7.64 -1.26 -5.17 113.62 109.24 2ejm n SER 2 Ca 0.00 0.77 0.01 0.00 1.01 0.00 0.00 58.87 60.66 2ejm n SER 2 Cb 0.00 3.42 -0.01 0.00 -1.01 0.00 0.00 64.21 66.61 2ejm n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ejm s SER 3 N -2.00 -0.05 0.00 6.43 0.01 -1.26 -5.19 113.70 111.64 2ejm s SER 3 Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2ejm s SER 3 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2ejm s SER 3 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2ejm n GLY 4 N -0.38 6.06 3.73 3.44 0.00 -1.26 -5.08 105.19 111.70 2ejm n GLY 4 Ca -0.06 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 0.34 6.81 0.04 1.61 0.15 -1.26 -4.99 113.70 116.39 2ejm s SER 5 Ca 0.00 2.44 -0.22 0.00 0.70 0.00 0.00 55.95 58.87 2ejm s SER 5 Cb 0.00 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.65 2ejm s SER 5 CO 0.00 -0.62 0.64 -0.94 1.20 0.00 0.00 173.24 173.52 2ejm s SER 6 N 0.65 7.08 -0.03 5.45 1.04 -1.26 -5.01 113.70 121.61 2ejm s SER 6 Ca 0.61 1.28 -0.02 0.00 0.48 0.00 0.00 55.95 58.30 2ejm s SER 6 Cb -0.38 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 2ejm s SER 6 CO 0.36 0.13 -0.04 1.23 0.98 0.00 0.00 173.24 175.91 2ejm h GLY 7 N 5.29 0.00 -2.41 7.32 0.00 -2.08 -3.47 103.07 107.72 2ejm h GLY 7 Ca -0.46 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.37 2ejm h GLY 7 CO 0.68 0.00 0.45 0.54 0.00 0.00 0.00 176.54 178.21 2ejm s VAL 8 N -1.28 3.21 0.11 4.60 0.11 -1.26 -4.95 120.40 120.94 2ejm s VAL 8 Ca -0.03 0.83 0.00 0.00 -2.93 0.00 0.00 61.98 59.85 2ejm s VAL 8 Cb 0.00 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 2ejm s VAL 8 CO 0.04 -0.09 0.00 -0.24 -3.33 0.00 0.00 175.10 171.49 2ejm n SER 9 N -0.84 0.34 -3.90 3.54 2.88 -1.26 -5.05 113.62 109.34 2ejm n SER 9 Ca 0.09 0.18 -0.29 0.00 -1.33 0.00 0.00 58.87 57.53 2ejm n SER 9 Cb 0.50 -0.01 -0.16 0.00 -0.75 0.00 0.00 64.21 63.79 2ejm n SER 9 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ejm s SER 10 N -5.35 3.09 -0.30 -3.46 1.04 -1.26 -5.09 113.70 102.38 2ejm s SER 10 Ca 0.00 -0.80 -0.16 0.00 0.48 0.00 0.00 55.95 55.47 2ejm s SER 10 Cb 0.00 -0.97 0.17 0.00 0.10 0.00 0.00 66.02 65.32 2ejm s SER 10 CO 0.00 -0.20 1.03 -1.10 0.98 0.00 0.00 173.24 173.95 2ejm s GLN 11 N 1.58 0.28 0.12 4.02 -1.52 -1.26 -5.06 119.66 117.82 2ejm s GLN 11 Ca -0.01 0.61 -0.34 0.00 -1.95 0.00 0.00 55.36 53.68 2ejm s GLN 11 Cb -0.16 0.28 -0.13 0.00 -0.22 0.00 0.00 33.01 32.79 2ejm s GLN 11 CO -0.07 -0.08 1.55 1.49 -0.25 0.00 0.00 175.29 177.93 2ejm h GLU 12 N 6.94 -0.56 -4.38 2.91 4.57 -2.07 -3.44 114.58 118.55 2ejm h GLU 12 Ca -0.19 0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 57.87 2ejm h GLU 12 Cb 1.14 0.13 -0.15 0.00 -0.16 0.00 0.00 28.75 29.71 2ejm h GLU 12 CO 0.12 -0.38 -0.67 -0.08 -1.18 0.00 0.00 179.01 176.82 2ejm s THR 13 N -5.72 0.30 0.18 0.32 -1.32 -1.26 -5.17 115.64 102.96 2ejm s THR 13 Ca -0.15 -1.86 -0.20 0.00 -1.21 0.00 0.00 61.69 58.26 2ejm s THR 13 Cb 0.07 -1.70 0.05 0.00 -1.51 0.00 0.00 72.50 69.41 2ejm s THR 13 CO 0.61 -0.83 0.56 -1.10 -2.21 0.00 0.00 174.62 171.66 2ejm s GLN 14 N -3.93 1.34 -0.03 7.08 -1.52 -1.26 -5.08 119.66 116.25 2ejm s GLN 14 Ca 0.13 -0.67 -0.00 0.00 -1.95 0.00 0.00 55.36 52.86 2ejm s GLN 14 Cb 0.07 0.56 0.00 0.00 -0.22 0.00 0.00 33.01 33.42 2ejm s GLN 14 CO -0.06 -0.58 0.00 0.41 -0.25 0.00 0.00 175.29 174.82 2ejm n GLY 15 N -0.36 -3.01 0.00 3.09 0.00 -1.26 -5.07 105.19 98.58 2ejm n GLY 15 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.09 3.36 3.81 -0.02 0.00 -1.26 -4.48 105.19 106.69 2ejm n GLY 16 Ca -0.01 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.90 2.35 -0.01 1.61 0.04 -1.25 -4.97 135.00 128.86 2ejm s PRO 17 Ca 0.00 0.74 0.06 0.00 0.04 0.00 0.00 61.00 61.83 2ejm s PRO 17 Cb 0.00 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2ejm s PRO 17 CO 0.00 -1.46 -0.18 -0.51 0.04 0.00 0.00 177.00 174.89 2ejm s LEU 18 N -5.71 2.05 0.42 -3.56 1.43 -1.26 -3.08 118.68 108.98 2ejm s LEU 18 Ca 0.60 -0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 53.09 2ejm s LEU 18 Cb -0.14 -0.92 -0.10 0.00 0.03 0.00 0.00 46.19 45.06 2ejm s LEU 18 CO 0.54 0.21 1.38 0.00 0.23 0.00 0.00 176.35 178.72 2ejm n ALA 19 N 2.55 1.83 0.12 4.21 0.00 -0.30 -4.84 120.51 124.08 2ejm n ALA 19 Ca -0.15 0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 2ejm n ALA 19 Cb 0.54 -2.35 0.10 0.00 0.00 0.00 0.00 19.45 17.74 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 2.38 0.00 -1.63 0.00 0.13 -1.93 -2.99 132.00 127.96 2ejm h PRO 20 Ca -0.50 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 64.93 2ejm h PRO 20 Cb 1.27 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.29 2ejm h PRO 20 CO 0.61 0.69 0.76 1.41 -0.23 0.00 0.00 178.00 181.24 2ejm s MET 21 N -3.31 0.56 0.20 0.86 -2.45 -1.26 -4.78 119.30 109.12 2ejm s MET 21 Ca -0.00 -0.31 -0.32 0.00 -1.25 0.00 0.00 55.69 53.81 2ejm s MET 21 Cb 0.11 0.19 -0.11 0.00 1.25 0.00 0.00 34.83 36.27 2ejm s MET 21 CO 0.77 -0.26 1.68 0.99 1.05 0.00 0.00 175.02 179.25 2ejm s THR 22 N -2.60 2.18 0.00 10.11 2.01 -1.26 -4.60 115.64 121.47 2ejm s THR 22 Ca 0.14 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.26 2ejm s THR 22 Cb 0.04 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2ejm s THR 22 CO -0.03 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 2ejm n GLY 23 N 3.84 2.14 3.04 4.40 0.00 -1.24 -4.39 105.19 112.99 2ejm n GLY 23 Ca 0.15 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.71 1.22 -0.52 2.61 2.01 0.48 -2.91 115.64 115.81 2ejm s THR 24 Ca 0.00 -0.52 -0.26 0.00 0.31 0.00 0.00 61.69 61.21 2ejm s THR 24 Cb 0.00 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 2ejm s THR 24 CO 0.00 0.37 2.14 -0.63 -0.69 0.00 0.00 174.62 175.81 2ejm s ILE 25 N 0.67 3.18 -0.04 1.82 -1.09 -0.67 -0.29 121.20 124.78 2ejm s ILE 25 Ca -0.14 0.11 -0.18 0.00 -2.23 0.00 0.00 60.65 58.21 2ejm s ILE 25 Cb -0.16 -3.44 -0.11 0.00 -1.58 0.00 0.00 42.46 37.17 2ejm s ILE 25 CO 0.04 -0.42 0.74 -0.08 -1.23 0.00 0.00 174.94 174.00 2ejm h GLU 26 N 17.11 -0.44 -5.19 2.79 4.57 0.17 1.44 114.58 135.03 2ejm h GLU 26 Ca -0.26 0.03 -0.38 0.00 -1.18 0.00 0.00 59.36 57.57 2ejm h GLU 26 Cb 1.22 0.10 -0.14 0.00 -0.16 0.00 0.00 28.75 29.76 2ejm h GLU 26 CO 1.17 -0.19 -0.69 0.15 -1.18 0.00 0.00 179.01 178.28 2ejm s LYS 27 N -3.47 1.26 -0.30 1.92 -0.14 -0.90 -4.42 119.74 113.69 2ejm s LYS 27 Ca -0.10 -1.59 -0.02 0.00 -1.36 0.00 0.00 55.97 52.90 2ejm s LYS 27 Cb 0.01 -0.74 0.12 0.00 -1.68 0.00 0.00 37.83 35.53 2ejm s LYS 27 CO 0.33 0.02 0.18 0.08 -0.76 0.00 0.00 175.35 175.20 2ejm s VAL 28 N -3.28 -0.10 -0.62 3.17 1.01 -1.26 -0.03 120.40 119.28 2ejm s VAL 28 Ca 0.23 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2ejm s VAL 28 Cb 0.03 -0.99 0.20 0.00 0.00 0.00 0.00 36.38 35.63 2ejm s VAL 28 CO 0.06 -0.72 2.40 0.49 0.00 0.00 0.00 175.10 177.33 2ejm n PHE 29 N 5.01 2.23 -3.78 5.22 3.72 0.26 -4.89 117.46 125.23 2ejm n PHE 29 Ca -0.01 -2.15 -0.02 0.00 -0.05 0.00 0.00 57.45 55.22 2ejm n PHE 29 Cb 0.42 -1.29 -0.01 0.00 -0.94 0.00 0.00 39.48 37.67 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 0.19 0.00 -3.13 -4.37 0.24 -1.22 -4.69 118.33 105.35 2ejm n VAL 30 Ca 0.51 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 2ejm n VAL 30 Cb 0.43 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.06 -1.07 -3.70 7.34 -0.00 -1.26 -5.10 118.16 114.31 2ejm n LYS 31 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 2ejm n LYS 31 Cb 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.03 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 -1.21 0.58 0.00 -1.26 -4.13 121.76 118.52 2ejm s ALA 32 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2ejm s ALA 32 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2ejm s ALA 32 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2ejm n GLY 33 N 2.07 -0.01 4.01 0.00 0.00 0.21 -4.99 105.19 106.48 2ejm n GLY 33 Ca -0.17 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 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 5.52 -0.04 1.61 2.15 -1.22 -4.93 116.67 117.33 2ejm s ASP 34 Ca 0.00 -0.52 0.05 0.00 0.43 0.00 0.00 52.55 52.51 2ejm s ASP 34 Cb 0.00 -0.46 -0.01 0.00 -0.30 0.00 0.00 42.92 42.15 2ejm s ASP 34 CO 0.00 -0.87 -0.17 -0.54 -0.17 0.00 0.00 175.17 173.42 2ejm s LYS 35 N -4.40 1.69 0.27 4.34 3.01 -1.26 -2.48 119.74 120.91 2ejm s LYS 35 Ca 0.56 -0.61 0.02 0.00 -1.01 0.00 0.00 55.97 54.93 2ejm s LYS 35 Cb -0.09 -1.50 -0.04 0.00 -1.01 0.00 0.00 37.83 35.19 2ejm s LYS 35 CO 0.34 0.27 0.14 0.14 0.51 0.00 0.00 175.35 176.75 2ejm s VAL 36 N -0.06 0.31 -0.05 3.17 -7.23 -1.19 -5.02 120.40 110.34 2ejm s VAL 36 Ca -0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 2ejm s VAL 36 Cb -0.10 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 2ejm s VAL 36 CO 0.01 0.00 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.10 2ejm s LYS 37 N -3.92 1.78 -0.33 4.82 -0.14 -1.26 -4.02 119.74 116.67 2ejm s LYS 37 Ca 0.37 -0.58 -0.44 0.00 -1.36 0.00 0.00 55.97 53.95 2ejm s LYS 37 Cb 0.06 -1.53 -0.20 0.00 -1.68 0.00 0.00 37.83 34.48 2ejm s LYS 37 CO 0.16 0.21 1.43 0.00 -0.76 0.00 0.00 175.35 176.40 2ejm n ALA 38 N 3.23 -2.03 -1.85 5.17 0.00 -1.26 -1.09 120.51 122.68 2ejm n ALA 38 Ca -0.19 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2ejm n ALA 38 Cb 0.53 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 3.20 0.95 3.47 0.00 0.00 -0.70 -4.95 105.19 107.16 2ejm n GLY 39 Ca 0.27 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.76 4.01 -0.51 1.61 1.11 -0.25 -4.78 116.67 115.10 2ejm s ASP 40 Ca 0.00 -0.20 -0.26 0.00 0.18 0.00 0.00 52.55 52.26 2ejm s ASP 40 Cb 0.00 -0.86 -0.05 0.00 1.07 0.00 0.00 42.92 43.08 2ejm s ASP 40 CO 0.00 0.34 2.24 -0.94 1.18 0.00 0.00 175.17 177.99 2ejm s SER 41 N -0.70 4.73 -0.02 0.27 1.04 -1.26 -1.40 113.70 116.36 2ejm s SER 41 Ca 0.11 0.92 -0.02 0.00 0.48 0.00 0.00 55.95 57.43 2ejm s SER 41 Cb -0.11 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 2ejm s SER 41 CO 0.01 -2.69 0.25 -0.07 0.98 0.00 0.00 173.24 171.72 2ejm h LEU 42 N 18.45 -0.07 -8.78 2.42 3.38 -1.78 -3.43 115.31 125.50 2ejm h LEU 42 Ca -0.26 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.33 2ejm h LEU 42 Cb 1.24 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.87 2ejm h LEU 42 CO 1.16 0.06 -0.51 -0.04 0.09 0.00 0.00 178.44 179.21 2ejm s MET 43 N -1.74 1.60 -0.08 1.13 -1.94 -1.25 0.89 119.30 117.90 2ejm s MET 43 Ca -0.01 -1.88 0.03 0.00 -1.71 0.00 0.00 55.69 52.12 2ejm s MET 43 Cb 0.00 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.16 2ejm s MET 43 CO 0.04 -0.58 -0.19 0.08 -0.01 0.00 0.00 175.02 174.35 2ejm s VAL 44 N -3.64 1.69 0.31 -6.03 1.01 0.95 -3.00 120.40 111.70 2ejm s VAL 44 Ca 0.40 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.67 2ejm s VAL 44 Cb 0.04 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 2ejm s VAL 44 CO 0.22 0.48 -0.10 -0.04 0.00 0.00 0.00 175.10 175.67 2ejm s MET 45 N 0.41 1.88 -0.04 2.72 -1.94 -0.58 0.18 119.30 121.94 2ejm s MET 45 Ca -0.16 -1.78 -0.02 0.00 -1.71 0.00 0.00 55.69 52.02 2ejm s MET 45 Cb -0.17 -1.83 0.03 0.00 2.01 0.00 0.00 34.83 34.88 2ejm s MET 45 CO 0.06 0.23 0.05 0.42 -0.01 0.00 0.00 175.02 175.77 2ejm s ILE 46 N -2.52 -0.05 0.00 2.53 1.01 0.60 -0.09 121.20 122.67 2ejm s ILE 46 Ca 0.32 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.34 2ejm s ILE 46 Cb -0.02 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.27 2ejm s ILE 46 CO 0.17 0.18 0.00 0.00 0.00 0.00 0.00 174.94 175.29 2ejm n ALA 47 N 5.17 0.85 -2.75 9.38 0.00 -1.22 0.18 120.51 132.13 2ejm n ALA 47 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 2ejm n ALA 47 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.43 3.99 -4.17 0.00 2.81 -1.26 -4.66 117.12 113.40 2ejm n MET 48 Ca 0.00 -4.08 -0.32 0.00 -1.81 0.00 0.00 57.70 51.49 2ejm n MET 48 Cb 0.00 -2.72 -0.04 0.00 -0.71 0.00 0.00 33.22 29.75 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 2.75 -2.62 -3.91 0.03 4.76 -1.26 -4.93 118.16 112.98 2ejm n LYS 49 Ca 0.32 0.32 -0.11 0.00 -2.87 0.00 0.00 58.31 55.97 2ejm n LYS 49 Cb 0.35 -4.59 -0.12 0.00 -1.84 0.00 0.00 35.03 28.84 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 -6.90 0.27 -0.22 1.97 -1.94 -1.26 -5.13 119.30 106.09 2ejm s MET 50 Ca 0.34 -0.31 -0.20 0.00 -1.71 0.00 0.00 55.69 53.82 2ejm s MET 50 Cb -0.19 0.11 -0.03 0.00 2.01 0.00 0.00 34.83 36.73 2ejm s MET 50 CO 0.93 -0.05 0.58 -1.21 -0.01 0.00 0.00 175.02 175.26 2ejm s GLU 51 N -0.92 4.16 -0.07 2.03 8.01 -1.26 -3.39 118.70 127.26 2ejm s GLU 51 Ca -0.10 0.49 -0.01 0.00 0.01 0.00 0.00 54.97 55.37 2ejm s GLU 51 Cb -0.06 -3.60 -0.03 0.00 -4.31 0.00 0.00 34.13 26.12 2ejm s GLU 51 CO 0.00 -0.28 -0.02 -1.01 0.01 0.00 0.00 175.26 173.96 2ejm s HIS 52 N 2.05 3.07 -0.43 1.61 3.76 0.87 -4.96 115.29 121.25 2ejm s HIS 52 Ca 0.25 0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.31 2ejm s HIS 52 Cb -0.16 -1.75 0.12 0.00 1.11 0.00 0.00 32.58 31.90 2ejm s HIS 52 CO 0.09 0.42 0.17 0.99 -0.85 0.00 0.00 174.74 175.56 2ejm s THR 53 N -0.88 2.65 -0.80 1.30 2.01 -1.26 -1.53 115.64 117.13 2ejm s THR 53 Ca 0.14 -2.65 -0.26 0.00 0.31 0.00 0.00 61.69 59.22 2ejm s THR 53 Cb -0.11 -2.87 0.03 0.00 0.01 0.00 0.00 72.50 69.55 2ejm s THR 53 CO 0.03 -0.70 1.38 -0.63 -0.69 0.00 0.00 174.62 174.01 2ejm s ILE 54 N 0.49 3.73 0.47 1.82 1.09 -1.16 -4.98 121.20 122.66 2ejm s ILE 54 Ca 0.13 0.10 -0.19 0.00 -1.10 0.00 0.00 60.65 59.59 2ejm s ILE 54 Cb -0.22 -4.85 -0.09 0.00 -1.06 0.00 0.00 42.46 36.24 2ejm s ILE 54 CO -0.05 -1.78 0.98 -0.54 -0.10 0.00 0.00 174.94 173.46 2ejm s LYS 55 N 5.71 4.03 0.35 2.79 1.02 -1.26 -2.61 119.74 129.76 2ejm s LYS 55 Ca 0.41 1.13 -0.29 0.00 0.02 0.00 0.00 55.97 57.25 2ejm s LYS 55 Cb -0.07 -2.14 -0.11 0.00 -0.52 0.00 0.00 37.83 34.99 2ejm s LYS 55 CO 0.09 -0.21 1.51 0.45 -0.92 0.00 0.00 175.35 176.27 2ejm s SER 56 N -2.39 6.39 0.28 2.83 0.15 -0.49 -4.82 113.70 115.64 2ejm s SER 56 Ca 0.62 2.99 0.13 0.00 0.70 0.00 0.00 55.95 60.40 2ejm s SER 56 Cb -0.11 -2.66 0.31 0.00 -1.71 0.00 0.00 66.02 61.86 2ejm s SER 56 CO 0.20 -0.86 1.56 1.55 1.20 0.00 0.00 173.24 176.89 2ejm h PRO 57 N 3.62 0.00 -2.44 5.44 0.13 -1.94 -1.86 132.00 134.96 2ejm h PRO 57 Ca -0.49 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.80 2ejm h PRO 57 Cb 1.23 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 2ejm h PRO 57 CO 0.69 0.59 0.47 -1.59 -0.23 0.00 0.00 178.00 177.92 2ejm s LYS 58 N -3.33 1.30 0.34 0.86 -2.85 -1.26 -4.83 119.74 109.96 2ejm s LYS 58 Ca 0.00 -0.73 -0.27 0.00 -1.00 0.00 0.00 55.97 53.97 2ejm s LYS 58 Cb 0.11 0.43 -0.09 0.00 -2.06 0.00 0.00 37.83 36.21 2ejm s LYS 58 CO 0.74 -0.60 1.14 0.16 0.10 0.00 0.00 175.35 176.89 2ejm s ASP 59 N -2.99 6.92 0.00 0.03 -4.77 -1.26 -4.23 116.67 110.36 2ejm s ASP 59 Ca 0.13 2.31 0.00 0.00 -3.30 0.00 0.00 52.55 51.69 2ejm s ASP 59 Cb -0.02 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 2ejm s ASP 59 CO 0.03 -0.39 0.00 0.61 0.70 0.00 0.00 175.17 176.12 2ejm n GLY 60 N 0.85 1.31 3.35 2.12 0.00 -1.26 -4.95 105.19 106.62 2ejm n GLY 60 Ca 0.01 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 4.58 -0.08 2.61 2.01 -1.26 -3.16 115.64 118.33 2ejm s THR 61 Ca 0.00 -1.01 -0.40 0.00 0.31 0.00 0.00 61.69 60.59 2ejm s THR 61 Cb 0.00 -3.63 -0.18 0.00 0.01 0.00 0.00 72.50 68.69 2ejm s THR 61 CO 0.00 -0.34 1.33 0.52 -0.69 0.00 0.00 174.62 175.44 2ejm n VAL 62 N 5.00 0.04 -0.09 3.82 0.31 -1.03 -0.54 118.33 125.84 2ejm n VAL 62 Ca -0.11 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.06 2ejm n VAL 62 Cb 0.45 -0.52 -0.07 0.00 -0.91 0.00 0.00 33.84 32.79 2ejm n VAL 62 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2ejm n LYS 63 N 2.73 0.52 -3.72 5.55 4.81 0.50 0.66 118.16 129.20 2ejm n LYS 63 Ca 0.22 0.52 -0.14 0.00 -0.87 0.00 0.00 58.31 58.05 2ejm n LYS 63 Cb 0.10 -1.70 -0.09 0.00 0.02 0.00 0.00 35.03 33.36 2ejm n LYS 63 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2ejm s LYS 64 N -2.34 0.58 0.31 1.64 2.36 -1.13 -4.09 119.74 117.07 2ejm s LYS 64 Ca -0.24 0.33 -0.04 0.00 -2.55 0.00 0.00 55.97 53.48 2ejm s LYS 64 Cb 0.05 0.27 -0.05 0.00 -1.05 0.00 0.00 37.83 37.06 2ejm s LYS 64 CO 0.43 -0.11 0.56 0.08 1.55 0.00 0.00 175.35 177.85 2ejm s VAL 65 N -0.33 5.04 -0.07 4.02 1.01 -1.26 -1.51 120.40 127.30 2ejm s VAL 65 Ca -0.05 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.93 2ejm s VAL 65 Cb -0.03 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 2ejm s VAL 65 CO 0.02 -0.41 0.05 0.49 0.00 0.00 0.00 175.10 175.25 2ejm n PHE 66 N -1.22 0.00 -4.30 5.22 3.72 -1.08 -4.95 117.46 114.84 2ejm n PHE 66 Ca -0.02 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.18 2ejm n PHE 66 Cb 0.54 -0.35 -0.11 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.25 1.65 0.30 1.38 2.02 -1.25 -5.07 117.35 114.14 2ejm s TYR 67 Ca -0.04 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 2ejm s TYR 67 Cb 0.03 -0.82 -0.05 0.00 -0.40 0.00 0.00 41.96 40.71 2ejm s TYR 67 CO 0.32 0.27 0.09 1.03 -1.57 0.00 0.00 175.55 175.68 2ejm s ARG 68 N -2.93 1.58 0.13 -0.62 1.81 -1.26 -5.04 118.95 112.63 2ejm s ARG 68 Ca 0.15 -1.88 -0.35 0.00 -1.72 0.00 0.00 55.73 51.93 2ejm s ARG 68 Cb -0.04 -0.55 -0.16 0.00 -0.45 0.00 0.00 34.95 33.75 2ejm s ARG 68 CO 0.05 -0.28 1.32 0.39 -0.68 0.00 0.00 175.30 176.10 2ejm n GLU 69 N -0.61 1.33 -2.76 3.54 1.02 -1.26 -2.12 120.64 119.78 2ejm n GLU 69 Ca -0.01 0.48 -0.09 0.00 -0.02 0.00 0.00 57.16 57.51 2ejm n GLU 69 Cb 0.66 -2.09 0.05 0.00 -0.02 0.00 0.00 31.44 30.04 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 2.44 -0.03 3.54 0.62 0.00 0.49 -4.99 105.19 107.26 2ejm n GLY 70 Ca 0.17 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.20 2.91 -0.27 4.61 0.00 -0.90 -4.89 121.76 120.02 2ejm s ALA 71 Ca 0.03 -2.11 -0.04 0.00 0.00 0.00 0.00 51.96 49.84 2ejm s ALA 71 Cb -0.00 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2ejm s ALA 71 CO 0.41 0.03 -0.00 -1.14 0.00 0.00 0.00 175.76 175.05 2ejm s GLN 72 N -3.64 2.97 0.31 0.00 0.74 -1.26 -1.67 119.66 117.11 2ejm s GLN 72 Ca 0.33 -0.91 0.08 0.00 0.05 0.00 0.00 55.36 54.90 2ejm s GLN 72 Cb 0.04 -3.15 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 2ejm s GLN 72 CO 0.16 -0.41 0.24 0.00 -0.55 0.00 0.00 175.29 174.73 2ejm s ALA 73 N 1.40 3.71 0.39 1.58 0.00 -1.15 -5.04 121.76 122.66 2ejm s ALA 73 Ca 0.01 -1.62 0.08 0.00 0.00 0.00 0.00 51.96 50.43 2ejm s ALA 73 Cb -0.17 -1.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.76 2ejm s ALA 73 CO -0.02 0.08 0.03 -0.80 0.00 0.00 0.00 175.76 175.05 2ejm s ASN 74 N -3.93 4.01 -0.19 0.00 -0.87 -1.26 -3.58 114.94 109.12 2ejm s ASN 74 Ca 0.38 -1.23 -0.29 0.00 -1.57 0.00 0.00 52.86 50.15 2ejm s ASN 74 Cb -0.06 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.25 40.71 2ejm s ASN 74 CO 0.25 -0.41 1.66 -0.13 -2.57 0.00 0.00 177.10 175.91 2ejm s ARG 75 N -3.74 3.83 0.00 -0.60 0.52 -1.26 -3.12 118.95 114.58 2ejm s ARG 75 Ca 0.36 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 57.34 2ejm s ARG 75 Cb 0.06 -4.05 0.00 0.00 0.52 0.00 0.00 34.95 31.49 2ejm s ARG 75 CO 0.19 -1.26 0.00 0.72 0.02 0.00 0.00 175.30 174.97 2ejm n HIS 76 N 8.40 0.00 -4.24 -0.53 8.25 -1.13 -5.00 115.22 120.96 2ejm n HIS 76 Ca 0.19 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.46 2ejm n HIS 76 Cb 0.45 -2.24 -0.11 0.00 1.12 0.00 0.00 29.99 29.20 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 -2.91 1.37 0.07 1.59 -4.23 -1.18 -4.88 115.64 105.46 2ejm s THR 77 Ca 0.00 -1.63 -0.30 0.00 -1.18 0.00 0.00 61.69 58.58 2ejm s THR 77 Cb 0.00 -1.47 -0.06 0.00 1.34 0.00 0.00 72.50 72.32 2ejm s THR 77 CO 0.00 -0.33 1.16 -2.16 -0.54 0.00 0.00 174.62 172.75 2ejm s PRO 78 N -2.41 4.47 -0.27 3.99 0.04 -1.26 -1.15 135.00 138.41 2ejm s PRO 78 Ca 0.07 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 2ejm s PRO 78 Cb -0.07 -3.35 -0.12 0.00 0.04 0.00 0.00 34.50 31.00 2ejm s PRO 78 CO 0.03 -0.19 -0.33 1.28 0.04 0.00 0.00 177.00 177.83 2ejm n LEU 79 N 3.71 2.07 -3.90 -3.56 4.77 -1.18 -4.63 117.00 114.28 2ejm n LEU 79 Ca 0.08 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.20 2ejm n LEU 79 Cb 0.47 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 2ejm n LEU 79 CO 0.55 0.62 -0.28 0.68 -1.33 0.00 0.00 177.39 177.63 2ejm s VAL 80 N -2.49 0.07 -0.26 4.08 -7.23 -1.26 -2.64 120.40 110.66 2ejm s VAL 80 Ca -0.37 -0.54 -0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2ejm s VAL 80 Cb 0.14 -0.26 -0.00 0.00 0.56 0.00 0.00 36.38 36.81 2ejm s VAL 80 CO 0.49 -0.30 0.02 -0.70 -0.31 0.00 0.00 175.10 174.31 2ejm s GLU 81 N -0.94 3.24 0.60 4.82 2.12 -0.57 -3.95 118.70 124.01 2ejm s GLU 81 Ca -0.10 -0.74 -0.15 0.00 0.36 0.00 0.00 54.97 54.34 2ejm s GLU 81 Cb -0.06 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2ejm s GLU 81 CO 0.00 -0.32 1.05 -0.06 -0.54 0.00 0.00 175.26 175.39 2ejm s PHE 82 N 1.49 3.02 1.02 5.30 0.08 -1.26 0.19 117.98 127.82 2ejm s PHE 82 Ca 0.04 1.50 -0.12 0.00 0.12 0.00 0.00 56.93 58.47 2ejm s PHE 82 Cb -0.16 -2.99 0.20 0.00 -0.57 0.00 0.00 43.02 39.50 2ejm s PHE 82 CO 0.00 -1.08 1.08 -1.21 -0.10 0.00 0.00 175.22 173.91 2ejm s GLU 83 N -4.15 0.28 0.55 0.44 0.41 0.30 -4.49 118.70 112.05 2ejm s GLU 83 Ca 0.63 0.69 -0.21 0.00 -0.41 0.00 0.00 54.97 55.67 2ejm s GLU 83 Cb -0.16 -1.71 -0.05 0.00 -1.78 0.00 0.00 34.13 30.44 2ejm s GLU 83 CO 0.38 -2.88 1.27 -1.21 -0.49 0.00 0.00 175.26 172.33 2ejm s GLU 84 N -4.83 3.15 0.38 1.61 2.02 -1.26 -4.84 118.70 114.93 2ejm s GLU 84 Ca 0.66 2.00 -0.23 0.00 0.02 0.00 0.00 54.97 57.41 2ejm s GLU 84 Cb -0.20 -2.14 -0.10 0.00 0.10 0.00 0.00 34.13 31.78 2ejm s GLU 84 CO 0.59 -1.11 0.95 -1.83 0.02 0.00 0.00 175.26 173.88 2ejm s GLU 85 N -3.05 4.40 0.00 1.61 -1.05 -1.26 -4.94 118.70 114.41 2ejm s GLU 85 Ca 0.73 1.22 0.00 0.00 -0.15 0.00 0.00 54.97 56.77 2ejm s GLU 85 Cb -0.35 -2.47 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 2ejm s GLU 85 CO 0.40 0.12 0.00 -1.91 0.95 0.00 0.00 175.26 174.81 2ejm n GLU 86 N -0.07 0.00 -2.95 -4.83 0.00 -1.26 -5.04 120.64 106.49 2ejm n GLU 86 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.78 2ejm n GLU 86 Cb 0.52 -0.08 -0.05 0.00 0.00 0.00 0.00 31.44 31.83 2ejm n GLU 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2ejm s SER 87 N -4.72 6.52 -0.35 4.31 1.04 -1.26 -4.98 113.70 114.26 2ejm s SER 87 Ca 0.00 0.24 -0.00 0.00 0.48 0.00 0.00 55.95 56.66 2ejm s SER 87 Cb 0.00 -2.40 0.13 0.00 0.10 0.00 0.00 66.02 63.85 2ejm s SER 87 CO 0.00 -0.80 0.19 -0.62 0.98 0.00 0.00 173.24 172.99 2ejm s ASP 88 N 1.94 3.33 0.91 7.02 2.15 -1.26 -5.13 116.67 125.62 2ejm s ASP 88 Ca 0.31 -2.03 -0.12 0.00 0.43 0.00 0.00 52.55 51.14 2ejm s ASP 88 Cb -0.13 -0.56 0.14 0.00 -0.30 0.00 0.00 42.92 42.07 2ejm s ASP 88 CO 0.19 -0.34 1.13 -0.54 -0.17 0.00 0.00 175.17 175.44 2ejm s LYS 89 N 1.20 1.17 0.26 4.34 1.02 -1.26 -5.09 119.74 121.39 2ejm s LYS 89 Ca 0.15 0.36 -0.06 0.00 0.02 0.00 0.00 55.97 56.44 2ejm s LYS 89 Cb -0.21 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 2ejm s LYS 89 CO -0.09 -2.19 0.37 -0.98 -0.92 0.00 0.00 175.35 171.53 2ejm s ARG 90 N -5.23 1.53 0.14 1.68 1.04 -1.26 -5.18 118.95 111.67 2ejm s ARG 90 Ca 0.64 -1.51 0.02 0.00 -1.04 0.00 0.00 55.73 53.84 2ejm s ARG 90 Cb -0.15 0.40 -0.04 0.00 -2.04 0.00 0.00 34.95 33.11 2ejm s ARG 90 CO 0.54 -0.60 -0.04 -2.00 -0.04 0.00 0.00 175.30 173.16 2ejm s GLU 91 N -3.82 0.98 0.15 3.89 2.12 -1.26 -5.17 118.70 115.58 2ejm s GLU 91 Ca 0.30 -1.43 -0.07 0.00 0.36 0.00 0.00 54.97 54.12 2ejm s GLU 91 Cb 0.02 -0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.13 2ejm s GLU 91 CO 0.13 -0.06 0.22 -1.12 -0.54 0.00 0.00 175.26 173.89 2ejm s SER 92 N -3.11 0.12 0.23 -1.70 0.01 -1.26 -5.18 113.70 102.81 2ejm s SER 92 Ca 0.18 -0.92 -0.17 0.00 1.31 0.00 0.00 55.95 56.35 2ejm s SER 92 Cb 0.05 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.69 2ejm s SER 92 CO -0.00 -0.83 0.56 -0.70 0.41 0.00 0.00 173.24 172.67 2ejm s GLU 93 N -3.97 1.53 0.20 12.44 2.12 -1.26 -5.18 118.70 124.58 2ejm s GLU 93 Ca 0.17 -1.01 0.07 0.00 0.36 0.00 0.00 54.97 54.57 2ejm s GLU 93 Cb 0.04 0.53 -0.05 0.00 0.26 0.00 0.00 34.13 34.92 2ejm s GLU 93 CO -0.01 -0.66 -0.14 -1.12 -0.54 0.00 0.00 175.26 172.79 2ejm s SER 94 N -2.93 2.48 0.12 -1.70 0.01 -1.26 -5.16 113.70 105.27 2ejm s SER 94 Ca 0.13 -1.02 0.05 0.00 1.31 0.00 0.00 55.95 56.43 2ejm s SER 94 Cb -0.02 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 2ejm s SER 94 CO 0.03 -0.19 0.05 -0.83 0.41 0.00 0.00 173.24 172.71 2ejm s GLY 95 N -3.30 1.85 -0.08 3.44 0.00 -1.26 -5.05 107.32 102.93 2ejm s GLY 95 Ca 0.22 -1.17 -0.22 0.00 0.00 0.00 0.00 44.72 43.55 2ejm s GLY 95 CO 0.06 -1.16 0.84 -0.56 0.00 0.00 0.00 173.10 172.28 2ejm h PRO 96 N 3.01 -0.10 -2.02 2.90 0.13 -2.10 -3.50 132.00 130.32 2ejm h PRO 96 Ca -0.47 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2ejm h PRO 96 Cb 1.18 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ejm h PRO 96 CO 0.62 0.47 -0.53 0.43 -0.23 0.00 0.00 178.00 178.75 2ejm n SER 97 N -4.81 -4.58 -4.31 1.44 7.64 -1.26 -5.05 113.62 102.70 2ejm n SER 97 Ca -0.08 1.01 -0.16 0.00 1.01 0.00 0.00 58.87 60.65 2ejm n SER 97 Cb 0.30 -2.31 -0.10 0.00 -1.01 0.00 0.00 64.21 61.09 2ejm n SER 97 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ejm s SER 98 N -4.35 1.90 0.00 6.43 0.15 -1.26 -5.34 113.70 111.23 2ejm s SER 98 Ca 0.00 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.51 2ejm s SER 98 Cb 0.00 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2ejm s SER 98 CO 0.00 -0.42 0.44 0.61 1.20 0.00 0.00 173.24 175.06