#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 -2.03 -3.64 1.61 7.64 -1.26 -5.09 113.62 110.85 2ejm n SER 2 Ca 0.00 1.18 -0.08 0.00 1.01 0.00 0.00 58.87 60.98 2ejm n SER 2 Cb 0.00 -4.48 -0.07 0.00 -1.01 0.00 0.00 64.21 58.65 2ejm n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ejm s SER 3 N -0.53 -0.44 0.00 6.43 1.04 -1.26 -5.14 113.70 113.80 2ejm s SER 3 Ca -0.19 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2ejm s SER 3 Cb 0.01 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2ejm s SER 3 CO 0.53 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2ejm n GLY 4 N 2.34 -0.03 3.17 7.32 0.00 -1.26 -4.99 105.19 111.74 2ejm n GLY 4 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 2ejm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ejm s SER 5 N -0.87 5.38 -0.56 1.61 1.04 -1.26 -5.00 113.70 114.04 2ejm s SER 5 Ca 0.00 -1.83 0.04 0.00 0.48 0.00 0.00 55.95 54.64 2ejm s SER 5 Cb 0.00 -1.88 0.17 0.00 0.10 0.00 0.00 66.02 64.40 2ejm s SER 5 CO 0.00 -0.55 0.40 -0.44 0.98 0.00 0.00 173.24 173.64 2ejm s SER 6 N 2.00 3.37 0.00 7.02 0.01 -1.26 -5.06 113.70 119.78 2ejm s SER 6 Ca 0.05 -3.40 0.00 0.00 1.31 0.00 0.00 55.95 53.91 2ejm s SER 6 Cb -0.23 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 64.89 2ejm s SER 6 CO -0.02 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2ejm n GLY 7 N 2.50 3.06 0.23 3.44 0.00 -1.26 -4.96 105.19 108.20 2ejm n GLY 7 Ca 0.22 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 2ejm n GLY 7 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2ejm h VAL 8 N 1.00 1.26 -0.13 1.61 -1.51 -2.05 -3.43 116.25 113.00 2ejm h VAL 8 Ca 0.00 -1.24 0.28 0.00 -1.23 0.00 0.00 66.70 64.51 2ejm h VAL 8 Cb 0.00 1.38 -0.22 0.00 -2.13 0.00 0.00 31.29 30.33 2ejm h VAL 8 CO 0.00 0.39 0.29 -0.55 -1.23 0.00 0.00 177.57 176.47 2ejm s SER 9 N -6.83 -0.16 -0.28 4.19 0.15 -1.26 -5.17 113.70 104.35 2ejm s SER 9 Ca -0.06 0.11 -0.20 0.00 0.70 0.00 0.00 55.95 56.50 2ejm s SER 9 Cb 0.14 1.14 0.09 0.00 -1.71 0.00 0.00 66.02 65.68 2ejm s SER 9 CO 0.78 -0.03 0.78 -0.44 1.20 0.00 0.00 173.24 175.53 2ejm s SER 10 N 2.89 -0.76 -0.04 5.45 0.01 -1.26 -5.16 113.70 114.82 2ejm s SER 10 Ca -0.07 1.32 0.04 0.00 1.31 0.00 0.00 55.95 58.55 2ejm s SER 10 Cb -0.08 1.33 -0.00 0.00 0.21 0.00 0.00 66.02 67.48 2ejm s SER 10 CO -0.09 -0.22 -0.15 -1.10 0.41 0.00 0.00 173.24 172.09 2ejm s GLN 11 N 0.98 1.66 0.28 12.44 -0.21 -1.26 -4.98 119.66 128.58 2ejm s GLN 11 Ca -0.05 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 54.50 2ejm s GLN 11 Cb -0.05 -1.44 -0.11 0.00 1.00 0.00 0.00 33.01 32.41 2ejm s GLN 11 CO -0.10 0.19 1.50 -2.00 -2.12 0.00 0.00 175.29 172.76 2ejm s GLU 12 N 0.15 4.19 0.00 2.91 2.12 -1.26 -3.94 118.70 122.87 2ejm s GLU 12 Ca -0.05 2.44 0.00 0.00 0.36 0.00 0.00 54.97 57.72 2ejm s GLU 12 Cb -0.12 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.22 2ejm s GLU 12 CO 0.02 -0.51 0.00 2.41 -0.54 0.00 0.00 175.26 176.64 2ejm n THR 13 N 2.02 0.00 -1.61 -1.70 -1.04 -1.26 -4.83 114.28 105.85 2ejm n THR 13 Ca 0.06 0.00 -0.63 0.00 -2.04 0.00 0.00 64.05 61.45 2ejm n THR 13 Cb 0.39 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.81 2ejm n THR 13 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2ejm n GLN 14 N 0.00 0.00 0.00 -2.82 -0.06 -1.25 -4.73 117.38 108.51 2ejm n GLN 14 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2ejm n GLN 14 Cb 0.00 -1.41 0.00 0.00 -4.06 0.00 0.00 30.24 24.77 2ejm n GLN 14 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ejm n GLY 15 N 3.48 -0.06 0.00 1.69 0.00 -1.26 -4.52 105.19 104.52 2ejm n GLY 15 Ca 0.28 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.78 3.81 -0.02 0.00 -1.26 -4.95 105.19 100.99 2ejm n GLY 16 Ca 0.00 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 3.36 -0.12 1.61 0.04 -1.25 -4.97 135.00 133.67 2ejm s PRO 17 Ca 0.00 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.21 2ejm s PRO 17 Cb 0.00 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2ejm s PRO 17 CO 0.00 -0.77 -0.17 -0.51 0.04 0.00 0.00 177.00 175.59 2ejm s LEU 18 N -4.54 2.51 0.54 -3.56 1.43 -1.26 -3.04 118.68 110.77 2ejm s LEU 18 Ca 0.63 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 53.13 2ejm s LEU 18 Cb -0.15 -1.54 -0.07 0.00 0.03 0.00 0.00 46.19 44.45 2ejm s LEU 18 CO 0.38 0.17 0.86 0.00 0.23 0.00 0.00 176.35 177.99 2ejm n ALA 19 N 3.48 -0.18 -0.01 4.21 0.00 0.10 -4.73 120.51 123.37 2ejm n ALA 19 Ca -0.18 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 2ejm n ALA 19 Cb 0.53 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.85 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 0.70 0.41 -3.59 0.00 0.13 -1.92 -2.14 132.00 125.59 2ejm h PRO 20 Ca -0.47 -0.40 -0.06 0.00 -0.87 0.00 0.00 66.00 64.20 2ejm h PRO 20 Cb 1.37 0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.48 2ejm h PRO 20 CO 0.51 1.06 -0.16 1.41 -0.23 0.00 0.00 178.00 180.59 2ejm s MET 21 N -3.35 1.19 -0.23 0.86 1.75 -1.26 -4.48 119.30 113.77 2ejm s MET 21 Ca -0.13 -0.96 -0.28 0.00 -1.25 0.00 0.00 55.69 53.06 2ejm s MET 21 Cb 0.04 0.44 -0.04 0.00 2.84 0.00 0.00 34.83 38.11 2ejm s MET 21 CO 0.81 -0.46 2.00 0.99 -0.65 0.00 0.00 175.02 177.71 2ejm s THR 22 N -3.89 3.23 0.00 10.11 2.01 -1.26 -4.45 115.64 121.39 2ejm s THR 22 Ca 0.10 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2ejm s THR 22 Cb 0.02 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.24 2ejm s THR 22 CO -0.04 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 2ejm n GLY 23 N 5.45 4.74 3.04 4.40 0.00 -1.16 -4.77 105.19 116.89 2ejm n GLY 23 Ca 0.26 -1.17 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.87 0.79 0.05 2.61 2.01 -0.89 -1.64 115.64 117.71 2ejm s THR 24 Ca 0.00 -0.43 -0.31 0.00 0.31 0.00 0.00 61.69 61.26 2ejm s THR 24 Cb 0.00 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.78 2ejm s THR 24 CO 0.00 0.22 1.30 -0.63 -0.69 0.00 0.00 174.62 174.82 2ejm s ILE 25 N -0.24 3.77 -0.18 1.82 -1.09 0.31 0.85 121.20 126.44 2ejm s ILE 25 Ca 0.04 1.24 -0.06 0.00 -2.23 0.00 0.00 60.65 59.63 2ejm s ILE 25 Cb -0.04 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.96 2ejm s ILE 25 CO -0.00 0.06 -0.21 1.21 -1.23 0.00 0.00 174.94 174.77 2ejm n GLU 26 N 4.43 0.39 -4.19 2.79 4.07 0.37 0.45 120.64 128.94 2ejm n GLU 26 Ca 0.11 0.15 -0.16 0.00 -0.06 0.00 0.00 57.16 57.20 2ejm n GLU 26 Cb 0.45 -1.19 -0.14 0.00 -0.06 0.00 0.00 31.44 30.50 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 -2.33 0.56 -0.29 5.31 -0.14 -1.02 -4.52 119.74 117.31 2ejm s LYS 27 Ca -0.24 -0.43 -0.00 0.00 -1.36 0.00 0.00 55.97 53.93 2ejm s LYS 27 Cb 0.09 -0.49 0.09 0.00 -1.68 0.00 0.00 37.83 35.84 2ejm s LYS 27 CO 0.33 0.12 0.07 0.08 -0.76 0.00 0.00 175.35 175.20 2ejm s VAL 28 N -0.56 1.03 -0.75 3.17 1.01 -1.26 0.11 120.40 123.15 2ejm s VAL 28 Ca -0.01 -1.36 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 2ejm s VAL 28 Cb -0.05 -1.70 0.33 0.00 0.00 0.00 0.00 36.38 34.96 2ejm s VAL 28 CO 0.00 -0.55 2.12 0.49 0.00 0.00 0.00 175.10 177.16 2ejm n PHE 29 N 4.80 2.82 -3.66 5.22 3.72 0.41 -4.91 117.46 125.86 2ejm n PHE 29 Ca -0.03 -2.40 -0.02 0.00 -0.05 0.00 0.00 57.45 54.94 2ejm n PHE 29 Cb 0.43 -1.26 -0.00 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 -0.42 0.00 -1.39 -4.37 0.24 -1.23 -4.68 118.33 106.49 2ejm n VAL 30 Ca 0.54 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.62 2ejm n VAL 30 Cb 0.36 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 -0.07 -2.39 -3.12 7.34 -0.00 -1.26 -5.09 118.16 113.57 2ejm n LYS 31 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.95 2ejm n LYS 31 Cb 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.04 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 -1.57 3.45 -1.57 0.58 0.00 -1.25 -3.77 121.76 117.62 2ejm s ALA 32 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 2ejm s ALA 32 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2ejm s ALA 32 CO 0.00 0.34 0.09 0.41 0.00 0.00 0.00 175.76 176.60 2ejm n GLY 33 N 0.90 -0.40 3.96 0.00 0.00 0.44 -4.97 105.19 105.11 2ejm n GLY 33 Ca -0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.25 5.29 -0.02 1.61 2.15 -1.22 -4.90 116.67 117.33 2ejm s ASP 34 Ca 0.04 -0.65 0.06 0.00 0.43 0.00 0.00 52.55 52.43 2ejm s ASP 34 Cb -0.02 -0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 42.16 2ejm s ASP 34 CO 0.05 -0.82 -0.19 -0.54 -0.17 0.00 0.00 175.17 173.50 2ejm s LYS 35 N -4.31 1.64 0.27 4.34 3.01 -1.26 -1.77 119.74 121.65 2ejm s LYS 35 Ca 0.52 -0.68 0.02 0.00 -1.01 0.00 0.00 55.97 54.81 2ejm s LYS 35 Cb -0.06 -1.54 -0.04 0.00 -1.01 0.00 0.00 37.83 35.17 2ejm s LYS 35 CO 0.31 0.39 0.13 0.14 0.51 0.00 0.00 175.35 176.83 2ejm s VAL 36 N -0.36 0.34 -0.03 3.17 -7.23 -1.02 -5.00 120.40 110.26 2ejm s VAL 36 Ca 0.05 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2ejm s VAL 36 Cb -0.08 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.30 2ejm s VAL 36 CO -0.00 0.00 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.14 2ejm s LYS 37 N -3.96 1.24 -0.49 4.82 1.02 -1.26 -3.63 119.74 117.47 2ejm s LYS 37 Ca 0.37 -0.39 -0.46 0.00 0.02 0.00 0.00 55.97 55.51 2ejm s LYS 37 Cb 0.06 -1.11 -0.20 0.00 -0.52 0.00 0.00 37.83 36.06 2ejm s LYS 37 CO 0.15 0.13 1.67 0.00 -0.92 0.00 0.00 175.35 176.39 2ejm n ALA 38 N 3.32 -1.13 -0.97 5.17 0.00 -1.25 -0.92 120.51 124.73 2ejm n ALA 38 Ca -0.19 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2ejm n ALA 38 Cb 0.54 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 4.43 1.11 3.72 0.00 0.00 -1.09 -4.96 105.19 108.41 2ejm n GLY 39 Ca 0.34 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.42 5.19 -0.82 1.61 1.11 -0.09 -4.72 116.67 116.51 2ejm s ASP 40 Ca 0.00 -0.14 -0.26 0.00 0.18 0.00 0.00 52.55 52.33 2ejm s ASP 40 Cb 0.00 -1.28 0.03 0.00 1.07 0.00 0.00 42.92 42.74 2ejm s ASP 40 CO 0.00 0.16 1.34 -0.94 1.18 0.00 0.00 175.17 176.92 2ejm s SER 41 N -2.42 6.24 -0.00 0.27 1.04 -1.26 0.15 113.70 117.71 2ejm s SER 41 Ca 0.27 -0.74 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 2ejm s SER 41 Cb -0.12 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 2ejm s SER 41 CO 0.20 -1.76 0.50 -0.07 0.98 0.00 0.00 173.24 173.09 2ejm h LEU 42 N 13.05 -0.03 -8.80 2.42 3.38 -1.52 -3.40 115.31 120.40 2ejm h LEU 42 Ca -0.13 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.44 2ejm h LEU 42 Cb 1.04 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 2ejm h LEU 42 CO 1.32 -0.01 -0.54 -0.04 0.09 0.00 0.00 178.44 179.27 2ejm s MET 43 N -2.06 1.57 -0.11 1.13 -1.94 -1.24 0.16 119.30 116.80 2ejm s MET 43 Ca -0.01 -1.89 0.00 0.00 -1.71 0.00 0.00 55.69 52.09 2ejm s MET 43 Cb 0.00 0.30 0.02 0.00 2.01 0.00 0.00 34.83 37.16 2ejm s MET 43 CO 0.02 -0.56 -0.10 0.08 -0.01 0.00 0.00 175.02 174.44 2ejm s VAL 44 N -3.69 1.20 0.38 -6.03 1.01 0.31 -1.24 120.40 112.34 2ejm s VAL 44 Ca 0.40 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.03 2ejm s VAL 44 Cb 0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 2ejm s VAL 44 CO 0.22 0.39 0.48 -0.04 0.00 0.00 0.00 175.10 176.15 2ejm s MET 45 N 1.42 2.87 -0.33 2.72 -1.94 -0.88 0.14 119.30 123.31 2ejm s MET 45 Ca 0.01 -1.21 0.01 0.00 -1.71 0.00 0.00 55.69 52.78 2ejm s MET 45 Cb -0.13 -2.69 0.10 0.00 2.01 0.00 0.00 34.83 34.12 2ejm s MET 45 CO -0.06 -0.10 0.08 0.42 -0.01 0.00 0.00 175.02 175.35 2ejm s ILE 46 N -2.30 1.41 0.19 2.53 -1.09 0.25 -0.84 121.20 121.34 2ejm s ILE 46 Ca 0.49 -1.78 0.04 0.00 -2.23 0.00 0.00 60.65 57.17 2ejm s ILE 46 Cb -0.08 -2.05 -0.05 0.00 -1.58 0.00 0.00 42.46 38.70 2ejm s ILE 46 CO 0.31 -0.66 -0.06 0.00 -1.23 0.00 0.00 174.94 173.30 2ejm s ALA 47 N 1.32 1.67 -0.99 9.38 0.00 0.15 -2.08 121.76 131.20 2ejm s ALA 47 Ca 0.10 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2ejm s ALA 47 Cb -0.18 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2ejm s ALA 47 CO -0.18 -0.15 0.00 -1.33 0.00 0.00 0.00 175.76 174.10 2ejm n MET 48 N -0.31 -1.98 -1.78 0.00 2.81 -1.26 0.20 117.12 114.79 2ejm n MET 48 Ca -0.08 0.56 -0.13 0.00 -1.81 0.00 0.00 57.70 56.24 2ejm n MET 48 Cb 0.62 -5.02 -0.03 0.00 -0.71 0.00 0.00 33.22 28.07 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 -2.44 -0.97 -3.91 0.03 5.02 -1.26 -4.99 118.16 109.64 2ejm n LYS 49 Ca -0.12 0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 56.87 2ejm n LYS 49 Cb 0.52 -4.94 -0.10 0.00 -0.02 0.00 0.00 35.03 30.49 2ejm n LYS 49 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2ejm s MET 50 N -3.82 0.44 0.17 1.97 -2.45 0.53 -5.16 119.30 110.99 2ejm s MET 50 Ca 0.00 -0.51 -0.11 0.00 -1.25 0.00 0.00 55.69 53.83 2ejm s MET 50 Cb 0.00 0.18 -0.07 0.00 1.25 0.00 0.00 34.83 36.19 2ejm s MET 50 CO 0.00 -0.10 0.50 -1.83 1.05 0.00 0.00 175.02 174.64 2ejm s GLU 51 N -1.56 3.83 0.12 4.11 -1.05 -1.26 0.32 118.70 123.21 2ejm s GLU 51 Ca -0.14 0.28 0.03 0.00 -0.15 0.00 0.00 54.97 54.99 2ejm s GLU 51 Cb -0.08 -2.82 -0.04 0.00 -0.44 0.00 0.00 34.13 30.75 2ejm s GLU 51 CO 0.00 0.43 -0.08 -1.01 0.95 0.00 0.00 175.26 175.55 2ejm s HIS 52 N -1.61 1.05 -0.39 4.83 3.76 -0.02 -4.95 115.29 117.96 2ejm s HIS 52 Ca 0.41 -0.85 -0.04 0.00 -0.15 0.00 0.00 55.06 54.43 2ejm s HIS 52 Cb -0.13 -0.57 0.09 0.00 1.11 0.00 0.00 32.58 33.08 2ejm s HIS 52 CO 0.20 -0.05 0.17 0.99 -0.85 0.00 0.00 174.74 175.20 2ejm s THR 53 N -3.50 3.42 -0.50 1.30 2.01 -1.26 -2.07 115.64 115.04 2ejm s THR 53 Ca 0.14 -1.76 -0.28 0.00 0.31 0.00 0.00 61.69 60.10 2ejm s THR 53 Cb 0.04 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 2ejm s THR 53 CO -0.02 -0.52 1.65 -0.63 -0.69 0.00 0.00 174.62 174.41 2ejm s ILE 54 N 1.23 3.58 0.42 1.82 1.09 -0.37 -4.97 121.20 124.00 2ejm s ILE 54 Ca 0.04 0.51 -0.22 0.00 -1.10 0.00 0.00 60.65 59.88 2ejm s ILE 54 Cb -0.22 -4.04 -0.10 0.00 -1.06 0.00 0.00 42.46 37.03 2ejm s ILE 54 CO -0.02 -0.84 0.97 -0.54 -0.10 0.00 0.00 174.94 174.41 2ejm s LYS 55 N 5.95 4.23 0.41 2.79 -0.14 -1.26 -1.45 119.74 130.27 2ejm s LYS 55 Ca 0.65 1.22 -0.26 0.00 -1.36 0.00 0.00 55.97 56.22 2ejm s LYS 55 Cb -0.15 -2.31 -0.09 0.00 -1.68 0.00 0.00 37.83 33.60 2ejm s LYS 55 CO 0.27 -0.03 1.38 0.45 -0.76 0.00 0.00 175.35 176.66 2ejm s SER 56 N -2.00 6.19 0.19 2.83 0.15 0.39 -4.83 113.70 116.63 2ejm s SER 56 Ca 0.60 2.83 0.05 0.00 0.70 0.00 0.00 55.95 60.13 2ejm s SER 56 Cb -0.13 -2.65 0.09 0.00 -1.71 0.00 0.00 66.02 61.62 2ejm s SER 56 CO 0.17 -0.95 1.45 1.55 1.20 0.00 0.00 173.24 176.66 2ejm h PRO 57 N 2.67 0.15 0.00 5.44 0.13 -1.93 -2.88 132.00 135.57 2ejm h PRO 57 Ca -0.50 -0.14 0.07 0.00 -0.87 0.00 0.00 66.00 64.55 2ejm h PRO 57 Cb 1.25 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2ejm h PRO 57 CO 0.63 0.86 0.33 0.36 -0.23 0.00 0.00 178.00 179.94 2ejm n LYS 58 N -3.70 0.50 -3.01 0.86 2.85 -1.26 -4.82 118.16 109.58 2ejm n LYS 58 Ca -0.03 -1.08 -0.28 0.00 -1.05 0.00 0.00 58.31 55.87 2ejm n LYS 58 Cb 0.75 1.43 -0.02 0.00 -0.65 0.00 0.00 35.03 36.53 2ejm n LYS 58 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2ejm s ASP 59 N -2.51 6.40 0.00 -5.58 -1.08 -1.26 -3.81 116.67 108.83 2ejm s ASP 59 Ca 0.14 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 53.03 2ejm s ASP 59 Cb -0.02 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 2ejm s ASP 59 CO 0.05 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 175.98 2ejm n GLY 60 N -1.50 -0.09 3.23 2.66 0.00 -1.24 -4.93 105.19 103.32 2ejm n GLY 60 Ca -0.00 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.93 1.96 -0.62 2.61 2.01 -1.26 -2.44 115.64 114.97 2ejm s THR 61 Ca 0.00 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 60.73 2ejm s THR 61 Cb 0.00 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.85 2ejm s THR 61 CO 0.00 0.54 1.40 -0.69 -0.69 0.00 0.00 174.62 175.19 2ejm s VAL 62 N 0.03 3.74 0.07 3.82 1.01 -0.73 0.15 120.40 128.49 2ejm s VAL 62 Ca -0.09 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 2ejm s VAL 62 Cb -0.15 -4.56 -0.17 0.00 0.00 0.00 0.00 36.38 31.50 2ejm s VAL 62 CO 0.05 -1.36 1.60 0.50 0.00 0.00 0.00 175.10 175.89 2ejm h LYS 63 N 11.04 -0.51 -3.68 2.72 3.64 0.10 1.28 116.57 131.16 2ejm h LYS 63 Ca -0.27 0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 58.98 2ejm h LYS 63 Cb 1.08 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 2ejm h LYS 63 CO 1.21 -0.31 -0.01 -1.59 -2.27 0.00 0.00 179.45 176.48 2ejm s LYS 64 N -5.88 2.03 0.40 1.90 -2.85 -0.68 -3.72 119.74 110.94 2ejm s LYS 64 Ca -0.16 -1.62 0.05 0.00 -1.00 0.00 0.00 55.97 53.25 2ejm s LYS 64 Cb 0.04 0.52 -0.06 0.00 -2.06 0.00 0.00 37.83 36.26 2ejm s LYS 64 CO 0.62 -0.89 0.03 0.08 0.10 0.00 0.00 175.35 175.30 2ejm s VAL 65 N -2.81 1.57 0.00 1.79 1.01 -1.26 0.12 120.40 120.82 2ejm s VAL 65 Ca 0.24 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.22 2ejm s VAL 65 Cb -0.02 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2ejm s VAL 65 CO 0.17 0.00 0.00 0.49 0.00 0.00 0.00 175.10 175.76 2ejm n PHE 66 N -0.92 0.00 -4.81 5.22 3.72 -0.36 -4.80 117.46 115.51 2ejm n PHE 66 Ca -0.06 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.09 2ejm n PHE 66 Cb 0.67 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.05 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 -1.85 1.58 0.19 1.38 2.02 -1.19 -5.06 117.35 114.41 2ejm s TYR 67 Ca 0.00 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2ejm s TYR 67 Cb 0.00 -1.03 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 2ejm s TYR 67 CO 0.00 -0.07 0.09 0.54 -1.57 0.00 0.00 175.55 174.54 2ejm n ARG 68 N 2.82 1.33 -1.49 -0.62 1.74 -1.26 -4.94 116.66 114.24 2ejm n ARG 68 Ca -0.16 -1.25 -0.39 0.00 -0.77 0.00 0.00 57.85 55.28 2ejm n ARG 68 Cb 0.54 0.21 0.03 0.00 -1.02 0.00 0.00 32.46 32.22 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 -0.78 0.61 -4.11 5.56 1.02 -1.26 -2.05 120.64 119.63 2ejm n GLU 69 Ca -0.03 0.23 -0.28 0.00 -0.02 0.00 0.00 57.16 57.06 2ejm n GLU 69 Cb 0.22 -1.75 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 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 1.69 -0.19 3.72 0.62 0.00 0.17 -4.93 105.19 106.28 2ejm n GLY 70 Ca 0.12 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.10 3.41 -0.27 4.61 0.00 -0.87 -4.86 121.76 119.66 2ejm s ALA 71 Ca 0.03 -1.71 -0.06 0.00 0.00 0.00 0.00 51.96 50.23 2ejm s ALA 71 Cb -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.27 2ejm s ALA 71 CO 0.93 0.14 0.04 -1.14 0.00 0.00 0.00 175.76 175.74 2ejm s GLN 72 N -3.79 3.11 0.32 0.00 0.74 -1.26 -0.53 119.66 118.25 2ejm s GLN 72 Ca 0.35 -0.83 0.08 0.00 0.05 0.00 0.00 55.36 55.01 2ejm s GLN 72 Cb -0.05 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 2ejm s GLN 72 CO 0.22 -0.39 0.14 0.00 -0.55 0.00 0.00 175.29 174.71 2ejm s ALA 73 N 1.47 3.50 0.39 1.58 0.00 -0.65 -5.01 121.76 123.04 2ejm s ALA 73 Ca 0.03 -1.75 0.08 0.00 0.00 0.00 0.00 51.96 50.31 2ejm s ALA 73 Cb -0.17 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.06 2ejm s ALA 73 CO 0.01 0.08 0.03 -0.80 0.00 0.00 0.00 175.76 175.07 2ejm s ASN 74 N -3.84 4.01 -0.15 0.00 0.01 -1.26 -2.96 114.94 110.75 2ejm s ASN 74 Ca 0.37 -1.23 -0.29 0.00 -0.71 0.00 0.00 52.86 51.00 2ejm s ASN 74 Cb -0.04 -0.43 -0.05 0.00 0.41 0.00 0.00 41.25 41.14 2ejm s ASN 74 CO 0.23 -0.40 1.93 -0.60 -1.51 0.00 0.00 177.10 176.75 2ejm s ARG 75 N -3.73 3.66 -0.22 -0.60 3.52 -1.26 -3.09 118.95 117.22 2ejm s ARG 75 Ca 0.36 2.06 -0.00 0.00 -0.13 0.00 0.00 55.73 58.02 2ejm s ARG 75 Cb 0.06 -4.19 -0.00 0.00 -1.56 0.00 0.00 34.95 29.26 2ejm s ARG 75 CO 0.19 -1.48 0.21 0.72 -0.81 0.00 0.00 175.30 174.12 2ejm n HIS 76 N 9.32 -0.80 -4.18 5.12 8.25 -0.80 -4.92 115.22 127.22 2ejm n HIS 76 Ca 0.23 0.30 -0.15 0.00 -0.26 0.00 0.00 57.72 57.84 2ejm n HIS 76 Cb 0.44 -2.37 -0.11 0.00 1.12 0.00 0.00 29.99 29.07 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 -3.02 0.98 -0.21 1.59 -4.23 -1.18 -4.80 115.64 104.77 2ejm s THR 77 Ca 0.02 -1.57 -0.29 0.00 -1.18 0.00 0.00 61.69 58.68 2ejm s THR 77 Cb -0.00 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 2ejm s THR 77 CO 0.21 -0.49 1.30 -2.16 -0.54 0.00 0.00 174.62 172.94 2ejm s PRO 78 N -2.56 4.10 -0.16 3.99 0.04 -1.26 -0.72 135.00 138.43 2ejm s PRO 78 Ca 0.04 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 2ejm s PRO 78 Cb -0.04 -3.82 -0.07 0.00 0.04 0.00 0.00 34.50 30.60 2ejm s PRO 78 CO 0.01 -0.88 -0.09 1.28 0.04 0.00 0.00 177.00 177.36 2ejm n LEU 79 N 7.06 1.82 -4.21 -3.56 4.77 -1.17 -4.46 117.00 117.25 2ejm n LEU 79 Ca 0.14 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.46 2ejm n LEU 79 Cb 0.45 -0.89 -0.15 0.00 -2.33 0.00 0.00 43.42 40.50 2ejm n LEU 79 CO 0.59 -0.29 -0.51 0.68 -1.33 0.00 0.00 177.39 176.52 2ejm s VAL 80 N -2.27 1.55 -0.30 4.08 -7.23 -1.26 -1.22 120.40 113.74 2ejm s VAL 80 Ca -0.18 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 2ejm s VAL 80 Cb 0.03 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 2ejm s VAL 80 CO 0.31 0.31 0.19 -0.70 -0.31 0.00 0.00 175.10 174.90 2ejm s GLU 81 N -0.79 3.67 0.46 4.82 2.12 0.33 -3.97 118.70 125.34 2ejm s GLU 81 Ca 0.07 -0.51 -0.12 0.00 0.36 0.00 0.00 54.97 54.77 2ejm s GLU 81 Cb -0.08 -3.67 -0.07 0.00 0.26 0.00 0.00 34.13 30.58 2ejm s GLU 81 CO 0.00 -0.31 0.86 -0.06 -0.54 0.00 0.00 175.26 175.22 2ejm s PHE 82 N 1.71 3.48 0.92 5.30 0.08 -1.26 0.73 117.98 128.95 2ejm s PHE 82 Ca 0.06 1.19 -0.12 0.00 0.12 0.00 0.00 56.93 58.18 2ejm s PHE 82 Cb -0.17 -2.57 0.15 0.00 -0.57 0.00 0.00 43.02 39.86 2ejm s PHE 82 CO 0.09 -0.24 1.12 -1.21 -0.10 0.00 0.00 175.22 174.88 2ejm s GLU 83 N -4.06 1.03 -0.39 0.44 0.41 0.40 -4.42 118.70 112.11 2ejm s GLU 83 Ca 0.54 0.40 -0.28 0.00 -0.41 0.00 0.00 54.97 55.21 2ejm s GLU 83 Cb -0.10 -1.82 -0.01 0.00 -1.78 0.00 0.00 34.13 30.43 2ejm s GLU 83 CO 0.33 -2.30 1.62 -1.21 -0.49 0.00 0.00 175.26 173.22 2ejm s GLU 84 N -5.17 3.40 0.42 1.61 2.02 -1.26 -4.85 118.70 114.87 2ejm s GLU 84 Ca 0.64 1.13 0.05 0.00 0.02 0.00 0.00 54.97 56.82 2ejm s GLU 84 Cb -0.16 -4.13 -0.06 0.00 0.10 0.00 0.00 34.13 29.88 2ejm s GLU 84 CO 0.55 -1.78 0.01 -1.21 0.02 0.00 0.00 175.26 172.85 2ejm s GLU 85 N 5.42 1.98 0.27 1.61 0.41 -1.26 -5.09 118.70 122.04 2ejm s GLU 85 Ca 0.70 -2.16 0.03 0.00 -0.41 0.00 0.00 54.97 53.13 2ejm s GLU 85 Cb -0.18 -1.53 -0.01 0.00 -1.78 0.00 0.00 34.13 30.63 2ejm s GLU 85 CO 0.32 -0.14 0.30 -0.85 -0.49 0.00 0.00 175.26 174.40 2ejm n GLU 86 N -1.01 0.43 -3.62 1.61 0.28 -1.26 -5.06 120.64 112.00 2ejm n GLU 86 Ca -0.08 -2.46 -0.04 0.00 -0.16 0.00 0.00 57.16 54.43 2ejm n GLU 86 Cb 0.67 2.16 -0.06 0.00 1.43 0.00 0.00 31.44 35.64 2ejm n GLU 86 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2ejm s SER 87 N -2.79 -0.90 -0.51 -1.84 0.15 -1.26 -5.11 113.70 101.44 2ejm s SER 87 Ca 0.28 1.35 0.03 0.00 0.70 0.00 0.00 55.95 58.31 2ejm s SER 87 Cb 0.01 1.64 0.15 0.00 -1.71 0.00 0.00 66.02 66.10 2ejm s SER 87 CO 0.20 -0.20 0.33 -0.62 1.20 0.00 0.00 173.24 174.14 2ejm s ASP 88 N 2.01 3.60 -0.33 5.45 2.15 -1.26 -5.07 116.67 123.23 2ejm s ASP 88 Ca -0.08 -3.08 -0.09 0.00 0.43 0.00 0.00 52.55 49.73 2ejm s ASP 88 Cb -0.07 -1.13 0.01 0.00 -0.30 0.00 0.00 42.92 41.43 2ejm s ASP 88 CO -0.19 -0.20 0.15 -0.54 -0.17 0.00 0.00 175.17 174.23 2ejm s LYS 89 N -0.25 3.10 0.13 4.34 -0.14 -1.26 -5.07 119.74 120.58 2ejm s LYS 89 Ca 0.22 -0.88 -0.30 0.00 -1.36 0.00 0.00 55.97 53.66 2ejm s LYS 89 Cb -0.14 -3.56 -0.06 0.00 -1.68 0.00 0.00 37.83 32.39 2ejm s LYS 89 CO -0.08 -0.52 1.01 0.50 -0.76 0.00 0.00 175.35 175.50 2ejm s ARG 90 N 1.56 4.67 -0.29 1.68 6.06 -1.26 -5.02 118.95 126.34 2ejm s ARG 90 Ca 0.03 1.53 -0.16 0.00 -2.50 0.00 0.00 55.73 54.63 2ejm s ARG 90 Cb -0.18 -3.35 0.16 0.00 0.06 0.00 0.00 34.95 31.65 2ejm s ARG 90 CO 0.05 0.17 1.05 -2.00 -2.50 0.00 0.00 175.30 172.07 2ejm s GLU 91 N -0.10 0.28 -0.30 5.12 2.12 -1.26 -5.15 118.70 119.41 2ejm s GLU 91 Ca 0.48 0.53 -0.18 0.00 0.36 0.00 0.00 54.97 56.15 2ejm s GLU 91 Cb -0.25 0.12 0.18 0.00 0.26 0.00 0.00 34.13 34.44 2ejm s GLU 91 CO 0.31 -0.07 1.23 0.45 -0.54 0.00 0.00 175.26 176.65 2ejm s SER 92 N 1.47 -0.13 -0.14 -1.70 0.15 -1.26 -5.15 113.70 106.95 2ejm s SER 92 Ca -0.08 0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 2ejm s SER 92 Cb -0.04 1.13 0.06 0.00 -1.71 0.00 0.00 66.02 65.47 2ejm s SER 92 CO -0.14 -0.02 0.18 -0.70 1.20 0.00 0.00 173.24 173.75 2ejm s GLU 93 N 2.47 0.09 -0.09 5.44 2.12 -1.26 -5.14 118.70 122.33 2ejm s GLU 93 Ca -0.03 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.38 2ejm s GLU 93 Cb -0.04 -0.75 0.10 0.00 0.26 0.00 0.00 34.13 33.70 2ejm s GLU 93 CO -0.13 -0.46 0.87 0.45 -0.54 0.00 0.00 175.26 175.45 2ejm s SER 94 N 2.29 -0.47 -0.47 -1.70 0.15 -1.26 -5.10 113.70 107.14 2ejm s SER 94 Ca 0.04 0.44 0.06 0.00 0.70 0.00 0.00 55.95 57.18 2ejm s SER 94 Cb -0.14 0.40 0.27 0.00 -1.71 0.00 0.00 66.02 64.84 2ejm s SER 94 CO -0.08 -0.48 0.99 0.61 1.20 0.00 0.00 173.24 175.47 2ejm n GLY 95 N 0.63 0.06 3.80 9.45 0.00 -1.26 -5.15 105.19 112.71 2ejm n GLY 95 Ca -0.13 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 0.53 1.72 -0.25 1.61 0.04 -1.26 -5.08 135.00 132.31 2ejm s PRO 96 Ca 0.29 0.50 -0.10 0.00 0.04 0.00 0.00 61.00 61.73 2ejm s PRO 96 Cb 0.25 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 33.00 2ejm s PRO 96 CO -0.18 -1.84 0.56 -1.12 0.04 0.00 0.00 177.00 174.45 2ejm s SER 97 N -3.95 -0.76 -0.16 6.66 0.01 -1.26 -5.16 113.70 109.08 2ejm s SER 97 Ca 0.62 1.30 -0.34 0.00 1.31 0.00 0.00 55.95 58.83 2ejm s SER 97 Cb -0.15 1.60 0.14 0.00 0.21 0.00 0.00 66.02 67.83 2ejm s SER 97 CO 0.54 -0.22 1.31 -0.55 0.41 0.00 0.00 173.24 174.72 2ejm s SER 98 N 2.31 -0.07 0.00 2.44 0.15 -1.26 -5.38 113.70 111.90 2ejm s SER 98 Ca -0.06 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2ejm s SER 98 Cb -0.10 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2ejm s SER 98 CO -0.17 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.72