#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 -0.22 0.23 1.61 1.04 -1.26 -4.99 113.70 110.11 2ejm s SER 2 Ca 0.00 -0.66 0.06 0.00 0.48 0.00 0.00 55.95 55.83 2ejm s SER 2 Cb 0.00 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 2ejm s SER 2 CO 0.00 -1.19 0.23 -0.55 0.98 0.00 0.00 173.24 172.71 2ejm s SER 3 N -2.93 5.74 0.00 7.02 0.15 -1.26 -4.84 113.70 117.58 2ejm s SER 3 Ca 0.14 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2ejm s SER 3 Cb -0.03 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2ejm s SER 3 CO 0.04 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2ejm n GLY 4 N -1.04 0.71 1.46 9.45 0.00 -1.26 -5.16 105.19 109.35 2ejm n GLY 4 Ca -0.08 -2.12 0.18 0.00 0.00 0.00 0.00 46.02 44.00 2ejm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ejm n SER 5 N 1.51 -8.19 -3.74 1.61 7.64 -1.26 -5.00 113.62 106.19 2ejm n SER 5 Ca 0.00 1.34 -0.12 0.00 1.01 0.00 0.00 58.87 61.10 2ejm n SER 5 Cb 0.00 -4.93 -0.11 0.00 -1.01 0.00 0.00 64.21 58.16 2ejm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ejm s SER 6 N -7.29 -0.38 0.61 6.43 0.01 -1.26 -5.12 113.70 106.70 2ejm s SER 6 Ca 0.00 0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2ejm s SER 6 Cb 0.00 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.91 2ejm s SER 6 CO 0.00 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2ejm n GLY 7 N 3.39 0.32 3.03 3.44 0.00 -1.26 -4.44 105.19 109.66 2ejm n GLY 7 Ca -0.17 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 2.74 -0.30 1.61 -7.23 -1.26 -5.01 120.40 110.96 2ejm s VAL 8 Ca 0.00 -2.61 -0.21 0.00 -1.81 0.00 0.00 61.98 57.35 2ejm s VAL 8 Cb 0.00 -2.92 0.20 0.00 0.56 0.00 0.00 36.38 34.22 2ejm s VAL 8 CO 0.00 -0.70 1.37 -0.94 -0.31 0.00 0.00 175.10 174.52 2ejm s SER 9 N 0.77 -0.06 0.40 4.85 1.04 -1.26 -5.15 113.70 114.29 2ejm s SER 9 Ca 0.13 0.10 -0.27 0.00 0.48 0.00 0.00 55.95 56.38 2ejm s SER 9 Cb -0.22 0.49 -0.10 0.00 0.10 0.00 0.00 66.02 66.29 2ejm s SER 9 CO -0.05 -0.02 1.46 -1.20 0.98 0.00 0.00 173.24 174.42 2ejm n SER 10 N 2.21 3.62 -3.24 7.02 7.64 -1.26 -4.83 113.62 124.78 2ejm n SER 10 Ca -0.13 1.20 -0.04 0.00 1.01 0.00 0.00 58.87 60.91 2ejm n SER 10 Cb 0.57 -1.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.12 2ejm n SER 10 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2ejm s GLN 11 N -2.19 0.53 -0.11 1.43 -1.52 -1.26 -5.12 119.66 111.41 2ejm s GLN 11 Ca 0.55 0.17 -0.03 0.00 -1.95 0.00 0.00 55.36 54.10 2ejm s GLN 11 Cb -0.47 -0.09 0.05 0.00 -0.22 0.00 0.00 33.01 32.28 2ejm s GLN 11 CO 0.62 -1.07 0.07 -1.21 -0.25 0.00 0.00 175.29 173.45 2ejm s GLU 12 N 2.49 0.07 0.52 2.91 2.02 -1.26 -4.95 118.70 120.51 2ejm s GLU 12 Ca 0.11 0.09 -0.21 0.00 0.02 0.00 0.00 54.97 54.98 2ejm s GLU 12 Cb -0.11 -1.28 -0.07 0.00 0.10 0.00 0.00 34.13 32.77 2ejm s GLU 12 CO -0.24 -0.51 1.00 -2.37 0.02 0.00 0.00 175.26 173.16 2ejm n THR 13 N 5.27 3.12 -3.40 3.63 5.66 -1.26 -5.00 114.28 122.29 2ejm n THR 13 Ca -0.06 -0.50 0.03 0.00 -3.05 0.00 0.00 64.05 60.47 2ejm n THR 13 Cb 0.49 -1.19 -0.05 0.00 -1.55 0.00 0.00 70.33 68.03 2ejm n THR 13 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2ejm s GLN 14 N -2.44 0.10 0.00 1.09 -0.21 -1.26 -5.00 119.66 111.94 2ejm s GLN 14 Ca 0.70 0.20 0.00 0.00 0.02 0.00 0.00 55.36 56.28 2ejm s GLN 14 Cb -0.47 0.09 0.00 0.00 1.00 0.00 0.00 33.01 33.63 2ejm s GLN 14 CO 0.52 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 2ejm n GLY 15 N 4.04 2.12 0.00 3.09 0.00 -1.26 -5.10 105.19 108.07 2ejm n GLY 15 Ca -0.11 -0.20 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 0.00 -1.56 3.75 -0.02 0.00 -1.26 -4.31 105.19 101.80 2ejm n GLY 16 Ca 0.00 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.47 4.65 -0.13 1.61 0.04 -1.25 -4.96 135.00 134.50 2ejm s PRO 17 Ca 0.00 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 2ejm s PRO 17 Cb 0.00 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2ejm s PRO 17 CO 0.00 0.22 0.07 -0.51 0.04 0.00 0.00 177.00 176.82 2ejm s LEU 18 N -1.26 3.93 0.54 -3.56 1.43 -1.26 -2.67 118.68 115.83 2ejm s LEU 18 Ca 0.45 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.56 2ejm s LEU 18 Cb -0.31 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 2ejm s LEU 18 CO 0.39 0.31 1.08 0.00 0.23 0.00 0.00 176.35 178.37 2ejm n ALA 19 N 2.64 0.58 -0.04 4.21 0.00 -0.18 -4.78 120.51 122.93 2ejm n ALA 19 Ca -0.18 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 2ejm n ALA 19 Cb 0.53 -2.17 -0.11 0.00 0.00 0.00 0.00 19.45 17.70 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 1.00 0.01 0.00 0.00 0.13 -1.92 -2.28 132.00 128.93 2ejm h PRO 20 Ca -0.48 -0.01 -0.27 0.00 -0.87 0.00 0.00 66.00 64.37 2ejm h PRO 20 Cb 1.34 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 2ejm h PRO 20 CO 0.54 0.76 -0.14 0.00 -0.23 0.00 0.00 178.00 178.93 2ejm n MET 21 N -4.72 0.71 -2.36 0.86 0.00 -1.26 -4.32 117.12 106.02 2ejm n MET 21 Ca -0.09 -2.77 -0.43 0.00 0.00 0.00 0.00 57.70 54.42 2ejm n MET 21 Cb 0.37 2.68 -0.02 0.00 0.00 0.00 0.00 33.22 36.25 2ejm n MET 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2ejm s THR 22 N -2.80 4.14 0.00 3.17 2.01 -1.26 -4.11 115.64 116.79 2ejm s THR 22 Ca 0.29 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.70 2ejm s THR 22 Cb -0.01 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.59 2ejm s THR 22 CO 0.20 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 2ejm n GLY 23 N 3.64 3.14 3.09 4.40 0.00 -0.93 -4.58 105.19 113.94 2ejm n GLY 23 Ca 0.14 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.31 0.81 -0.24 2.61 2.01 -0.90 -1.88 115.64 115.73 2ejm s THR 24 Ca 0.00 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 2ejm s THR 24 Cb 0.00 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.74 2ejm s THR 24 CO 0.00 -0.11 1.19 -0.63 -0.69 0.00 0.00 174.62 174.38 2ejm s ILE 25 N -0.91 4.38 -0.22 1.82 -1.09 0.22 0.66 121.20 126.06 2ejm s ILE 25 Ca -0.02 1.62 -0.16 0.00 -2.23 0.00 0.00 60.65 59.86 2ejm s ILE 25 Cb -0.08 -4.19 -0.18 0.00 -1.58 0.00 0.00 42.46 36.44 2ejm s ILE 25 CO 0.01 -0.30 0.06 1.21 -1.23 0.00 0.00 174.94 174.69 2ejm n GLU 26 N 6.78 0.61 -4.10 2.79 4.07 0.31 0.67 120.64 131.77 2ejm n GLU 26 Ca 0.13 0.42 -0.14 0.00 -0.06 0.00 0.00 57.16 57.52 2ejm n GLU 26 Cb 0.46 -1.66 -0.11 0.00 -0.06 0.00 0.00 31.44 30.06 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 -2.44 0.62 -0.37 5.31 -0.14 -0.99 -4.71 119.74 117.02 2ejm s LYS 27 Ca -0.31 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.46 2ejm s LYS 27 Cb 0.08 -0.43 0.13 0.00 -1.68 0.00 0.00 37.83 35.93 2ejm s LYS 27 CO 0.59 0.08 0.19 0.08 -0.76 0.00 0.00 175.35 175.53 2ejm s VAL 28 N -1.47 0.74 -0.41 3.17 1.01 -1.26 0.46 120.40 122.64 2ejm s VAL 28 Ca -0.07 -1.84 -0.03 0.00 0.00 0.00 0.00 61.98 60.04 2ejm s VAL 28 Cb -0.09 -1.54 0.11 0.00 0.00 0.00 0.00 36.38 34.86 2ejm s VAL 28 CO 0.01 -0.86 2.55 0.49 0.00 0.00 0.00 175.10 177.29 2ejm n PHE 29 N 4.17 1.58 -3.97 5.22 3.72 0.18 -4.86 117.46 123.49 2ejm n PHE 29 Ca 0.06 -1.96 -0.11 0.00 -0.05 0.00 0.00 57.45 55.38 2ejm n PHE 29 Cb 0.38 -1.26 -0.03 0.00 -0.94 0.00 0.00 39.48 37.63 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 0.71 0.00 0.00 -4.37 0.24 -1.21 -4.69 118.33 109.01 2ejm n VAL 30 Ca 0.43 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 2ejm n VAL 30 Cb 0.57 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.42 0.00 -2.31 7.34 -0.00 -1.26 -5.09 118.16 116.42 2ejm n LYS 31 Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.95 2ejm n LYS 31 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.43 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 3.07 -1.71 0.58 0.00 -1.26 -2.87 121.76 117.56 2ejm s ALA 32 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 2ejm s ALA 32 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2ejm s ALA 32 CO 0.00 -0.54 0.19 0.41 0.00 0.00 0.00 175.76 175.82 2ejm n GLY 33 N 0.51 -0.51 3.97 0.00 0.00 0.11 -4.98 105.19 104.29 2ejm n GLY 33 Ca 0.06 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 5.18 -0.07 1.61 2.15 -1.14 -4.96 116.67 117.18 2ejm s ASP 34 Ca 0.10 -0.76 0.04 0.00 0.43 0.00 0.00 52.55 52.35 2ejm s ASP 34 Cb -0.04 -0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.40 2ejm s ASP 34 CO 0.12 -0.96 -0.19 -0.54 -0.17 0.00 0.00 175.17 173.43 2ejm s LYS 35 N -4.38 2.31 0.22 4.34 3.01 -1.26 -3.20 119.74 120.78 2ejm s LYS 35 Ca 0.52 -0.68 -0.00 0.00 -1.01 0.00 0.00 55.97 54.80 2ejm s LYS 35 Cb -0.06 -1.85 -0.04 0.00 -1.01 0.00 0.00 37.83 34.87 2ejm s LYS 35 CO 0.32 0.16 0.13 0.14 0.51 0.00 0.00 175.35 176.61 2ejm s VAL 36 N 0.34 0.13 -0.02 3.17 -7.23 -1.19 -5.03 120.40 110.58 2ejm s VAL 36 Ca -0.13 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 2ejm s VAL 36 Cb -0.16 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2ejm s VAL 36 CO 0.05 0.00 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.23 2ejm s LYS 37 N -4.11 0.69 -0.26 4.82 1.02 -1.26 -3.43 119.74 117.22 2ejm s LYS 37 Ca 0.39 -0.24 -0.43 0.00 0.02 0.00 0.00 55.97 55.71 2ejm s LYS 37 Cb 0.07 -0.67 -0.20 0.00 -0.52 0.00 0.00 37.83 36.51 2ejm s LYS 37 CO 0.13 0.11 1.34 0.00 -0.92 0.00 0.00 175.35 176.00 2ejm n ALA 38 N 3.17 -2.44 0.00 5.17 0.00 -1.26 0.37 120.51 125.53 2ejm n ALA 38 Ca -0.16 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2ejm n ALA 38 Cb 0.56 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 2.79 3.10 3.39 0.00 0.00 -0.81 -4.89 105.19 108.77 2ejm n GLY 39 Ca 0.26 -0.94 -0.45 0.00 0.00 0.00 0.00 46.02 44.89 2ejm n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ejm n ASP 40 N 0.83 -1.48 -4.55 1.61 9.92 0.16 -3.82 116.55 119.22 2ejm n ASP 40 Ca 0.00 1.01 -0.40 0.00 -0.53 0.00 0.00 54.79 54.86 2ejm n ASP 40 Cb 0.00 -0.98 -0.03 0.00 -0.64 0.00 0.00 41.12 39.47 2ejm n ASP 40 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2ejm s SER 41 N -0.96 5.91 0.00 -2.24 1.04 -1.26 -1.16 113.70 115.04 2ejm s SER 41 Ca 0.62 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.89 2ejm s SER 41 Cb -0.78 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 62.77 2ejm s SER 41 CO 0.59 -1.96 0.85 -0.07 0.98 0.00 0.00 173.24 173.62 2ejm h LEU 42 N 13.96 -0.12 -8.81 2.42 3.38 -1.73 -3.41 115.31 121.01 2ejm h LEU 42 Ca -0.27 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.30 2ejm h LEU 42 Cb 1.09 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 2ejm h LEU 42 CO 1.25 -0.07 -0.53 -0.04 0.09 0.00 0.00 178.44 179.14 2ejm s MET 43 N -2.90 1.58 -0.06 1.13 -1.94 -1.23 0.49 119.30 116.37 2ejm s MET 43 Ca -0.02 -1.90 0.03 0.00 -1.71 0.00 0.00 55.69 52.09 2ejm s MET 43 Cb 0.00 0.30 0.01 0.00 2.01 0.00 0.00 34.83 37.15 2ejm s MET 43 CO 0.06 -0.57 -0.14 0.08 -0.01 0.00 0.00 175.02 174.44 2ejm s VAL 44 N -3.67 1.25 0.40 -6.03 1.01 0.17 -2.02 120.40 111.51 2ejm s VAL 44 Ca 0.40 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2ejm s VAL 44 Cb 0.04 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2ejm s VAL 44 CO 0.23 0.38 0.20 -0.04 0.00 0.00 0.00 175.10 175.86 2ejm s MET 45 N 0.46 2.28 -0.31 2.72 -1.94 -0.94 0.12 119.30 121.69 2ejm s MET 45 Ca -0.12 -1.76 -0.01 0.00 -1.71 0.00 0.00 55.69 52.10 2ejm s MET 45 Cb -0.14 -2.06 0.10 0.00 2.01 0.00 0.00 34.83 34.73 2ejm s MET 45 CO 0.04 -0.09 0.10 0.42 -0.01 0.00 0.00 175.02 175.48 2ejm s ILE 46 N -2.55 0.85 0.30 2.53 -1.09 0.21 -2.11 121.20 119.33 2ejm s ILE 46 Ca 0.41 -1.38 0.02 0.00 -2.23 0.00 0.00 60.65 57.48 2ejm s ILE 46 Cb 0.02 -1.65 -0.05 0.00 -1.58 0.00 0.00 42.46 39.20 2ejm s ILE 46 CO 0.23 -0.68 0.09 0.00 -1.23 0.00 0.00 174.94 173.35 2ejm s ALA 47 N 1.63 2.06 -0.34 9.38 0.00 -0.96 -2.11 121.76 131.41 2ejm s ALA 47 Ca 0.10 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2ejm s ALA 47 Cb -0.17 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.84 2ejm s ALA 47 CO -0.26 -0.40 0.00 -1.33 0.00 0.00 0.00 175.76 173.78 2ejm n MET 48 N -0.58 -2.10 -3.49 0.00 2.81 -1.26 0.20 117.12 112.69 2ejm n MET 48 Ca -0.01 0.19 -0.24 0.00 -1.81 0.00 0.00 57.70 55.83 2ejm n MET 48 Cb 0.66 -4.54 0.06 0.00 -0.71 0.00 0.00 33.22 28.69 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 -2.06 -7.00 -3.97 0.03 4.76 -1.26 -4.98 118.16 103.68 2ejm n LYS 49 Ca -0.04 0.82 -0.09 0.00 -2.87 0.00 0.00 58.31 56.13 2ejm n LYS 49 Cb 0.37 -5.82 -0.07 0.00 -1.84 0.00 0.00 35.03 27.67 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 -6.20 1.08 0.10 1.97 -1.94 0.53 -5.15 119.30 109.69 2ejm s MET 50 Ca 0.53 -1.18 -0.22 0.00 -1.71 0.00 0.00 55.69 53.11 2ejm s MET 50 Cb -0.24 0.35 -0.07 0.00 2.01 0.00 0.00 34.83 36.89 2ejm s MET 50 CO 0.65 -0.38 0.65 -1.21 -0.01 0.00 0.00 175.02 174.72 2ejm s GLU 51 N -3.97 4.34 0.02 2.03 8.01 -1.26 -2.27 118.70 125.60 2ejm s GLU 51 Ca 0.17 0.89 0.03 0.00 0.01 0.00 0.00 54.97 56.06 2ejm s GLU 51 Cb 0.04 -3.25 -0.02 0.00 -4.31 0.00 0.00 34.13 26.59 2ejm s GLU 51 CO -0.01 0.59 -0.09 -1.01 0.01 0.00 0.00 175.26 174.75 2ejm s HIS 52 N -1.05 0.78 -0.35 1.61 3.76 -0.90 -4.97 115.29 114.17 2ejm s HIS 52 Ca 0.32 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 2ejm s HIS 52 Cb -0.21 -0.48 0.10 0.00 1.11 0.00 0.00 32.58 33.10 2ejm s HIS 52 CO 0.22 -0.02 0.09 0.99 -0.85 0.00 0.00 174.74 175.16 2ejm s THR 53 N -0.72 2.60 -0.62 1.30 2.01 -1.26 -2.22 115.64 116.73 2ejm s THR 53 Ca -0.02 -2.20 -0.27 0.00 0.31 0.00 0.00 61.69 59.52 2ejm s THR 53 Cb -0.06 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.61 2ejm s THR 53 CO 0.00 -0.58 1.60 -0.63 -0.69 0.00 0.00 174.62 174.32 2ejm s ILE 54 N 0.99 3.56 0.35 1.82 1.09 -0.86 -4.97 121.20 123.18 2ejm s ILE 54 Ca 0.09 0.38 -0.22 0.00 -1.10 0.00 0.00 60.65 59.79 2ejm s ILE 54 Cb -0.20 -4.31 -0.10 0.00 -1.06 0.00 0.00 42.46 36.79 2ejm s ILE 54 CO -0.07 -1.21 0.90 -0.54 -0.10 0.00 0.00 174.94 173.93 2ejm s LYS 55 N 6.28 4.36 0.37 2.79 1.02 -1.26 -2.27 119.74 131.02 2ejm s LYS 55 Ca 0.56 1.13 -0.27 0.00 0.02 0.00 0.00 55.97 57.41 2ejm s LYS 55 Cb -0.11 -2.54 -0.10 0.00 -0.52 0.00 0.00 37.83 34.56 2ejm s LYS 55 CO 0.21 0.16 1.34 0.45 -0.92 0.00 0.00 175.35 176.59 2ejm s SER 56 N -1.90 6.47 0.16 2.83 0.15 -0.31 -4.85 113.70 116.26 2ejm s SER 56 Ca 0.54 2.74 -0.00 0.00 0.70 0.00 0.00 55.95 59.93 2ejm s SER 56 Cb -0.14 -2.65 0.01 0.00 -1.71 0.00 0.00 66.02 61.53 2ejm s SER 56 CO 0.19 -0.75 1.39 1.55 1.20 0.00 0.00 173.24 176.82 2ejm h PRO 57 N 2.98 0.32 -2.56 5.44 0.13 -1.93 -2.15 132.00 134.23 2ejm h PRO 57 Ca -0.50 -0.31 0.07 0.00 -0.87 0.00 0.00 66.00 64.40 2ejm h PRO 57 Cb 1.24 0.08 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 2ejm h PRO 57 CO 0.64 0.99 0.39 -1.59 -0.23 0.00 0.00 178.00 178.19 2ejm s LYS 58 N -3.38 1.06 0.45 0.86 -2.85 -1.26 -4.80 119.74 109.81 2ejm s LYS 58 Ca -0.05 -0.43 -0.24 0.00 -1.00 0.00 0.00 55.97 54.26 2ejm s LYS 58 Cb 0.10 0.46 -0.08 0.00 -2.06 0.00 0.00 37.83 36.26 2ejm s LYS 58 CO 0.84 -0.47 1.25 0.16 0.10 0.00 0.00 175.35 177.24 2ejm s ASP 59 N -2.64 6.11 0.00 0.03 1.47 -1.26 -4.20 116.67 116.19 2ejm s ASP 59 Ca 0.05 2.53 0.00 0.00 1.18 0.00 0.00 52.55 56.31 2ejm s ASP 59 Cb -0.01 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.94 2ejm s ASP 59 CO -0.09 -0.98 0.00 0.61 0.68 0.00 0.00 175.17 175.40 2ejm n GLY 60 N 0.61 1.42 3.41 2.12 0.00 -1.22 -4.87 105.19 106.65 2ejm n GLY 60 Ca 0.06 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 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 4.95 -0.42 2.61 2.01 -1.26 -3.16 115.64 118.37 2ejm s THR 61 Ca 0.00 -0.78 -0.44 0.00 0.31 0.00 0.00 61.69 60.78 2ejm s THR 61 Cb 0.00 -4.31 -0.18 0.00 0.01 0.00 0.00 72.50 68.01 2ejm s THR 61 CO 0.00 -0.84 1.66 0.52 -0.69 0.00 0.00 174.62 175.27 2ejm n VAL 62 N 5.50 0.11 -0.06 3.82 0.31 -1.20 -1.78 118.33 125.04 2ejm n VAL 62 Ca -0.09 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.13 2ejm n VAL 62 Cb 0.44 -0.77 -0.09 0.00 -0.91 0.00 0.00 33.84 32.51 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 5.90 -0.00 -2.27 5.55 3.64 0.19 0.31 116.57 129.88 2ejm h LYS 63 Ca -0.44 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 2ejm h LYS 63 Cb 1.35 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.97 2ejm h LYS 63 CO 0.98 0.67 0.04 0.21 -2.27 0.00 0.00 179.45 179.08 2ejm s LYS 64 N -2.02 0.86 0.17 1.90 2.36 -1.24 -4.25 119.74 117.52 2ejm s LYS 64 Ca -0.13 0.41 -0.07 0.00 -2.55 0.00 0.00 55.97 53.64 2ejm s LYS 64 Cb -0.02 0.41 -0.06 0.00 -1.05 0.00 0.00 37.83 37.11 2ejm s LYS 64 CO 0.47 -0.21 0.44 0.08 1.55 0.00 0.00 175.35 177.68 2ejm s VAL 65 N -0.63 5.08 -0.12 4.02 1.01 -1.26 -1.10 120.40 127.39 2ejm s VAL 65 Ca -0.07 0.21 0.13 0.00 0.00 0.00 0.00 61.98 62.26 2ejm s VAL 65 Cb -0.03 -3.62 -0.19 0.00 0.00 0.00 0.00 36.38 32.54 2ejm s VAL 65 CO 0.06 0.01 0.10 0.49 0.00 0.00 0.00 175.10 175.75 2ejm n PHE 66 N 0.04 0.00 -4.21 5.22 3.72 0.16 -4.97 117.46 117.42 2ejm n PHE 66 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 2ejm n PHE 66 Cb 0.52 -0.66 -0.14 0.00 -0.94 0.00 0.00 39.48 38.25 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 -2.47 0.55 0.53 1.38 2.02 -1.20 -5.04 117.35 113.13 2ejm s TYR 67 Ca -0.07 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 2ejm s TYR 67 Cb 0.05 -0.36 -0.00 0.00 -0.40 0.00 0.00 41.96 41.26 2ejm s TYR 67 CO 0.61 -0.01 0.00 1.03 -1.57 0.00 0.00 175.55 175.61 2ejm s ARG 68 N -0.15 2.23 0.12 -0.62 0.52 -1.26 -4.98 118.95 114.81 2ejm s ARG 68 Ca 0.02 -2.45 -0.35 0.00 -0.52 0.00 0.00 55.73 52.43 2ejm s ARG 68 Cb -0.02 -1.49 -0.15 0.00 0.52 0.00 0.00 34.95 33.80 2ejm s ARG 68 CO -0.00 -0.42 1.43 0.39 0.02 0.00 0.00 175.30 176.72 2ejm n GLU 69 N -1.31 1.58 0.00 3.54 1.02 -1.26 0.25 120.64 124.45 2ejm n GLU 69 Ca -0.22 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2ejm n GLU 69 Cb 0.67 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 2.85 3.18 3.72 0.62 0.00 0.21 -4.97 105.19 110.80 2ejm n GLY 70 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.02 2.17 -0.25 4.61 0.00 0.14 -4.58 121.76 121.83 2ejm s ALA 71 Ca 0.00 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 2ejm s ALA 71 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.66 2ejm s ALA 71 CO 0.00 -1.81 -0.06 -1.14 0.00 0.00 0.00 175.76 172.75 2ejm s GLN 72 N -3.78 2.81 0.41 0.00 0.74 -1.26 0.73 119.66 119.31 2ejm s GLN 72 Ca 0.76 -0.99 0.02 0.00 0.05 0.00 0.00 55.36 55.19 2ejm s GLN 72 Cb -0.31 -2.99 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 2ejm s GLN 72 CO 0.44 -0.41 0.61 0.00 -0.55 0.00 0.00 175.29 175.38 2ejm s ALA 73 N 1.32 3.85 0.40 1.58 0.00 -0.79 -4.97 121.76 123.15 2ejm s ALA 73 Ca -0.00 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.91 2ejm s ALA 73 Cb -0.17 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.85 2ejm s ALA 73 CO -0.04 -0.26 0.02 1.21 0.00 0.00 0.00 175.76 176.69 2ejm s ASN 74 N -4.18 3.97 -0.03 0.00 3.84 -1.26 -2.20 114.94 115.07 2ejm s ASN 74 Ca 0.46 -1.27 -0.30 0.00 0.21 0.00 0.00 52.86 51.97 2ejm s ASN 74 Cb -0.10 -0.41 -0.08 0.00 -0.55 0.00 0.00 41.25 40.11 2ejm s ASN 74 CO 0.36 -0.41 1.98 -0.60 -2.79 0.00 0.00 177.10 175.64 2ejm s ARG 75 N -3.73 3.94 -0.39 0.43 3.52 -1.26 -3.09 118.95 118.37 2ejm s ARG 75 Ca 0.36 2.43 -0.01 0.00 -0.13 0.00 0.00 55.73 58.38 2ejm s ARG 75 Cb 0.07 -4.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.28 2ejm s ARG 75 CO 0.19 -1.18 0.39 0.72 -0.81 0.00 0.00 175.30 174.60 2ejm n HIS 76 N 8.35 -1.73 -4.09 5.12 8.25 -0.86 -4.96 115.22 125.29 2ejm n HIS 76 Ca 0.22 0.67 -0.10 0.00 -0.26 0.00 0.00 57.72 58.24 2ejm n HIS 76 Cb 0.42 -2.98 -0.11 0.00 1.12 0.00 0.00 29.99 28.45 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 -2.84 0.47 -0.24 1.59 -4.23 -1.18 -4.87 115.64 104.34 2ejm s THR 77 Ca 0.02 -1.52 -0.29 0.00 -1.18 0.00 0.00 61.69 58.72 2ejm s THR 77 Cb -0.01 -1.14 -0.01 0.00 1.34 0.00 0.00 72.50 72.69 2ejm s THR 77 CO 0.43 -0.71 1.32 -2.16 -0.54 0.00 0.00 174.62 172.96 2ejm s PRO 78 N -2.87 4.02 -0.17 3.99 0.04 -1.26 -1.01 135.00 137.73 2ejm s PRO 78 Ca 0.01 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.34 2ejm s PRO 78 Cb -0.01 -3.85 -0.09 0.00 0.04 0.00 0.00 34.50 30.59 2ejm s PRO 78 CO -0.04 -0.99 -0.07 1.28 0.04 0.00 0.00 177.00 177.22 2ejm n LEU 79 N 7.34 1.84 -4.12 -3.56 4.77 -1.09 -4.56 117.00 117.63 2ejm n LEU 79 Ca 0.15 0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 56.57 2ejm n LEU 79 Cb 0.46 -0.89 -0.10 0.00 -2.33 0.00 0.00 43.42 40.55 2ejm n LEU 79 CO 0.61 -0.17 -0.38 0.68 -1.33 0.00 0.00 177.39 176.80 2ejm s VAL 80 N -2.33 0.48 0.10 4.08 -7.23 -1.26 -0.67 120.40 113.57 2ejm s VAL 80 Ca -0.21 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 58.32 2ejm s VAL 80 Cb 0.04 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 2ejm s VAL 80 CO 0.37 -0.82 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.48 2ejm s GLU 81 N -3.40 1.94 0.17 4.82 -6.30 -0.26 -3.91 118.70 111.76 2ejm s GLU 81 Ca 0.06 -1.10 0.05 0.00 -2.50 0.00 0.00 54.97 51.48 2ejm s GLU 81 Cb 0.03 -2.19 -0.04 0.00 0.00 0.00 0.00 34.13 31.93 2ejm s GLU 81 CO -0.05 0.50 0.12 -0.06 0.02 0.00 0.00 175.26 175.78 2ejm s PHE 82 N -1.14 3.10 0.85 5.30 0.08 -1.26 0.83 117.98 125.75 2ejm s PHE 82 Ca 0.19 -0.04 -0.11 0.00 0.12 0.00 0.00 56.93 57.09 2ejm s PHE 82 Cb -0.11 -1.49 0.10 0.00 -0.57 0.00 0.00 43.02 40.95 2ejm s PHE 82 CO 0.11 0.52 1.09 -1.21 -0.10 0.00 0.00 175.22 175.63 2ejm s GLU 83 N -3.09 1.65 -0.57 0.44 0.41 -0.73 -4.55 118.70 112.25 2ejm s GLU 83 Ca 0.30 0.77 -0.28 0.00 -0.41 0.00 0.00 54.97 55.36 2ejm s GLU 83 Cb -0.10 -1.86 0.01 0.00 -1.78 0.00 0.00 34.13 30.41 2ejm s GLU 83 CO 0.23 -1.96 1.43 -1.21 -0.49 0.00 0.00 175.26 173.26 2ejm s GLU 84 N -5.02 3.27 -0.04 1.61 2.02 -1.26 -4.88 118.70 114.40 2ejm s GLU 84 Ca 0.62 0.43 -0.21 0.00 0.02 0.00 0.00 54.97 55.84 2ejm s GLU 84 Cb -0.16 -4.14 -0.05 0.00 0.10 0.00 0.00 34.13 29.88 2ejm s GLU 84 CO 0.56 -1.98 0.60 -1.21 0.02 0.00 0.00 175.26 173.25 2ejm s GLU 85 N 5.58 4.35 0.39 1.61 2.02 -1.26 -5.06 118.70 126.33 2ejm s GLU 85 Ca 0.52 0.72 -0.11 0.00 0.02 0.00 0.00 54.97 56.13 2ejm s GLU 85 Cb -0.11 -3.39 -0.07 0.00 0.10 0.00 0.00 34.13 30.67 2ejm s GLU 85 CO 0.24 0.25 0.76 -1.21 0.02 0.00 0.00 175.26 175.32 2ejm s GLU 86 N 0.22 3.81 -0.50 1.61 2.02 -1.26 -5.05 118.70 119.54 2ejm s GLU 86 Ca 0.32 0.48 0.07 0.00 0.02 0.00 0.00 54.97 55.86 2ejm s GLU 86 Cb -0.18 -2.41 0.19 0.00 0.10 0.00 0.00 34.13 31.84 2ejm s GLU 86 CO 0.16 0.01 0.70 0.45 0.02 0.00 0.00 175.26 176.59 2ejm n SER 87 N -1.13 -3.05 -4.55 -0.19 2.88 -1.26 -5.09 113.62 101.23 2ejm n SER 87 Ca 0.02 -2.88 -0.35 0.00 -1.33 0.00 0.00 58.87 54.33 2ejm n SER 87 Cb 0.54 1.48 -0.04 0.00 -0.75 0.00 0.00 64.21 65.44 2ejm n SER 87 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2ejm s ASP 88 N 0.56 5.26 0.14 -3.46 -4.77 -1.26 -4.95 116.67 108.19 2ejm s ASP 88 Ca 0.31 0.04 0.06 0.00 -3.30 0.00 0.00 52.55 49.65 2ejm s ASP 88 Cb 0.02 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.28 2ejm s ASP 88 CO -0.08 -2.46 0.04 -1.59 0.70 0.00 0.00 175.17 171.78 2ejm s LYS 89 N 7.00 2.62 -0.29 2.11 -2.85 -1.26 -4.76 119.74 122.32 2ejm s LYS 89 Ca 0.67 -0.92 -0.02 0.00 -1.00 0.00 0.00 55.97 54.71 2ejm s LYS 89 Cb -0.11 -2.53 0.12 0.00 -2.06 0.00 0.00 37.83 33.26 2ejm s LYS 89 CO 0.15 0.50 0.24 1.03 0.10 0.00 0.00 175.35 177.36 2ejm s ARG 90 N -2.73 0.28 0.42 1.78 0.52 -1.26 -5.03 118.95 112.93 2ejm s ARG 90 Ca 0.28 -0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.26 2ejm s ARG 90 Cb -0.11 -0.84 -0.07 0.00 0.52 0.00 0.00 34.95 34.45 2ejm s ARG 90 CO 0.20 -1.03 0.02 -1.21 0.02 0.00 0.00 175.30 173.31 2ejm s GLU 91 N 2.25 2.01 -0.33 3.54 2.02 -1.26 -4.83 118.70 122.10 2ejm s GLU 91 Ca 0.09 -2.13 -0.01 0.00 0.02 0.00 0.00 54.97 52.94 2ejm s GLU 91 Cb -0.15 -1.66 0.12 0.00 0.10 0.00 0.00 34.13 32.55 2ejm s GLU 91 CO -0.34 -0.10 0.17 0.45 0.02 0.00 0.00 175.26 175.46 2ejm s SER 92 N -3.75 3.40 0.07 -0.19 0.15 -1.26 -5.12 113.70 107.01 2ejm s SER 92 Ca 0.32 -1.85 0.08 0.00 0.70 0.00 0.00 55.95 55.20 2ejm s SER 92 Cb 0.08 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.84 2ejm s SER 92 CO 0.16 -0.37 -0.21 -0.70 1.20 0.00 0.00 173.24 173.33 2ejm s GLU 93 N 1.42 1.29 0.29 5.44 2.12 -1.26 -5.15 118.70 122.86 2ejm s GLU 93 Ca 0.14 -1.06 0.07 0.00 0.36 0.00 0.00 54.97 54.48 2ejm s GLU 93 Cb -0.20 -1.50 -0.03 0.00 0.26 0.00 0.00 34.13 32.66 2ejm s GLU 93 CO -0.16 0.37 0.25 -1.54 -0.54 0.00 0.00 175.26 173.63 2ejm s SER 94 N -1.53 5.44 0.22 -1.70 1.04 -1.26 -5.03 113.70 110.88 2ejm s SER 94 Ca 0.08 -0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.23 2ejm s SER 94 Cb -0.09 -1.21 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 2ejm s SER 94 CO 0.03 -0.19 0.00 -0.83 0.98 0.00 0.00 173.24 173.24 2ejm s GLY 95 N -3.92 1.67 0.83 7.32 0.00 -1.26 -4.97 107.32 106.99 2ejm s GLY 95 Ca 0.37 -1.50 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 2ejm s GLY 95 CO 0.26 -1.54 1.11 2.56 0.00 0.00 0.00 173.10 175.49 2ejm s PRO 96 N -3.31 1.79 0.36 2.90 0.04 -1.26 -4.97 135.00 130.56 2ejm s PRO 96 Ca 0.29 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2ejm s PRO 96 Cb -0.08 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2ejm s PRO 96 CO 0.19 -1.80 0.00 0.45 0.04 0.00 0.00 177.00 175.88 2ejm n SER 97 N -3.53 -3.19 -3.57 6.66 2.88 -1.26 -5.17 113.62 106.43 2ejm n SER 97 Ca 0.07 0.71 0.03 0.00 -1.33 0.00 0.00 58.87 58.35 2ejm n SER 97 Cb 0.57 3.08 -0.00 0.00 -0.75 0.00 0.00 64.21 67.10 2ejm n SER 97 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ejm s SER 98 N -1.77 -0.01 0.00 -3.46 0.15 -1.26 -5.39 113.70 101.96 2ejm s SER 98 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2ejm s SER 98 Cb 0.00 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2ejm s SER 98 CO 0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.02