#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ejm h SER 2 N 0.00 0.00 -2.93 1.61 0.87 -2.01 -3.44 113.55 107.65 2ejm h SER 2 Ca 0.00 -0.13 -0.59 0.00 -1.23 0.00 0.00 61.79 59.84 2ejm h SER 2 Cb 0.00 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 61.57 2ejm h SER 2 CO 0.00 0.60 -0.80 -0.55 -0.53 0.00 0.00 176.83 175.55 2ejm s SER 3 N -5.67 3.30 0.19 6.23 0.15 -1.26 -5.09 113.70 111.54 2ejm s SER 3 Ca -0.04 -2.22 0.00 0.00 0.70 0.00 0.00 55.95 54.39 2ejm s SER 3 Cb -0.00 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2ejm s SER 3 CO 0.12 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2ejm n GLY 4 N 4.03 2.44 1.81 9.45 0.00 -1.26 -4.73 105.19 116.93 2ejm n GLY 4 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 2.16 -3.15 -2.37 1.61 2.88 -1.26 -3.07 113.62 110.42 2ejm n SER 5 Ca 0.00 0.75 -0.04 0.00 -1.33 0.00 0.00 58.87 58.26 2ejm n SER 5 Cb 0.00 3.04 -0.03 0.00 -0.75 0.00 0.00 64.21 66.48 2ejm n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ejm n SER 6 N -3.27 -2.03 -3.06 -3.46 2.88 -1.26 -5.03 113.62 98.39 2ejm n SER 6 Ca 0.00 1.07 -0.11 0.00 -1.33 0.00 0.00 58.87 58.50 2ejm n SER 6 Cb 0.00 -4.34 0.00 0.00 -0.75 0.00 0.00 64.21 59.12 2ejm n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ejm s GLY 7 N -0.69 0.70 0.13 0.46 0.00 -1.26 -5.05 107.32 101.60 2ejm s GLY 7 Ca -0.18 -0.97 -0.23 0.00 0.00 0.00 0.00 44.72 43.34 2ejm s GLY 7 CO 0.62 -0.52 1.65 -0.24 0.00 0.00 0.00 173.10 174.62 2ejm h VAL 8 N 2.03 0.51 -1.93 1.40 3.04 -2.08 -3.38 116.25 115.84 2ejm h VAL 8 Ca -0.31 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.04 2ejm h VAL 8 Cb 1.25 0.51 -0.31 0.00 -2.01 0.00 0.00 31.29 30.73 2ejm h VAL 8 CO 0.39 0.00 -0.67 -0.55 -1.01 0.00 0.00 177.57 175.74 2ejm s SER 9 N -5.00 1.10 -0.18 3.17 0.15 -1.26 -5.13 113.70 106.56 2ejm s SER 9 Ca -0.15 -1.40 -0.33 0.00 0.70 0.00 0.00 55.95 54.78 2ejm s SER 9 Cb 0.10 0.62 0.14 0.00 -1.71 0.00 0.00 66.02 65.18 2ejm s SER 9 CO 0.67 -0.28 1.17 -0.94 1.20 0.00 0.00 173.24 175.07 2ejm s SER 10 N 1.61 -0.17 -0.23 5.45 1.04 -1.26 -5.17 113.70 114.97 2ejm s SER 10 Ca 0.16 0.05 -0.27 0.00 0.48 0.00 0.00 55.95 56.37 2ejm s SER 10 Cb -0.15 0.17 0.12 0.00 0.10 0.00 0.00 66.02 66.26 2ejm s SER 10 CO -0.08 -0.25 0.99 0.00 0.98 0.00 0.00 173.24 174.87 2ejm s GLN 11 N -2.13 0.58 -0.70 4.02 0.00 -1.26 -4.53 119.66 115.65 2ejm s GLN 11 Ca 0.08 0.47 -0.10 0.00 -0.00 0.00 0.00 55.36 55.80 2ejm s GLN 11 Cb -0.01 0.28 0.01 0.00 0.00 0.00 0.00 33.01 33.29 2ejm s GLN 11 CO -0.05 -0.11 0.63 0.39 0.00 0.00 0.00 175.29 176.15 2ejm n GLU 12 N 1.72 -1.66 -3.44 9.60 1.02 -1.26 -4.95 120.64 121.67 2ejm n GLU 12 Ca -0.12 1.15 -0.29 0.00 -0.02 0.00 0.00 57.16 57.88 2ejm n GLU 12 Cb 0.56 -3.12 -0.03 0.00 -0.02 0.00 0.00 31.44 28.83 2ejm n GLU 12 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2ejm s THR 13 N -2.62 5.07 -0.27 2.62 -1.32 -1.26 -4.94 115.64 112.92 2ejm s THR 13 Ca 0.11 -0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.27 2ejm s THR 13 Cb -0.01 -3.72 0.18 0.00 -1.51 0.00 0.00 72.50 67.44 2ejm s THR 13 CO 0.86 -0.25 1.32 -1.58 -2.21 0.00 0.00 174.62 172.75 2ejm s GLN 14 N -3.40 0.12 0.00 7.08 0.74 -1.26 -1.49 119.66 121.45 2ejm s GLN 14 Ca 0.43 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.86 2ejm s GLN 14 Cb -0.11 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.06 2ejm s GLN 14 CO 0.29 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.40 2ejm n GLY 15 N 0.51 0.74 0.00 2.59 0.00 -1.26 -4.93 105.19 102.85 2ejm n GLY 15 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.04 3.75 3.71 -0.02 0.00 -1.26 -2.02 105.19 109.31 2ejm n GLY 16 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.50 4.43 0.04 1.61 0.04 -1.26 -4.88 135.00 132.49 2ejm s PRO 17 Ca 0.00 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 2ejm s PRO 17 Cb 0.00 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 2ejm s PRO 17 CO 0.00 -0.28 0.64 -0.51 0.04 0.00 0.00 177.00 176.89 2ejm s LEU 18 N 1.30 4.47 0.18 -3.56 1.43 -1.26 -1.82 118.68 119.43 2ejm s LEU 18 Ca 0.58 1.29 -0.31 0.00 -1.03 0.00 0.00 54.13 54.65 2ejm s LEU 18 Cb -0.28 -3.01 -0.16 0.00 0.03 0.00 0.00 46.19 42.77 2ejm s LEU 18 CO 0.28 0.15 0.96 0.00 0.23 0.00 0.00 176.35 177.97 2ejm n ALA 19 N 2.34 -1.50 0.03 4.21 0.00 0.58 -4.86 120.51 121.31 2ejm n ALA 19 Ca -0.07 0.46 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 2ejm n ALA 19 Cb 0.50 -1.89 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 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 2.47 -0.17 -4.57 0.00 0.13 -1.84 -3.35 132.00 124.66 2ejm h PRO 20 Ca -0.40 0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.53 2ejm h PRO 20 Cb 1.38 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.40 2ejm h PRO 20 CO 0.64 0.25 -0.67 1.41 -0.23 0.00 0.00 178.00 179.40 2ejm s MET 21 N -2.92 0.92 -0.16 0.86 -2.45 -1.26 -4.77 119.30 109.52 2ejm s MET 21 Ca -0.11 -1.42 -0.29 0.00 -1.25 0.00 0.00 55.69 52.62 2ejm s MET 21 Cb -0.00 -0.03 -0.04 0.00 1.25 0.00 0.00 34.83 36.01 2ejm s MET 21 CO 0.41 -0.14 1.62 0.99 1.05 0.00 0.00 175.02 178.94 2ejm s THR 22 N -3.81 3.68 0.00 10.11 2.01 -1.26 -4.57 115.64 121.80 2ejm s THR 22 Ca 0.19 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.99 2ejm s THR 22 Cb 0.07 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2ejm s THR 22 CO -0.01 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 2ejm n GLY 23 N 4.42 2.68 3.17 4.40 0.00 -1.23 -4.59 105.19 114.04 2ejm n GLY 23 Ca 0.18 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.91 1.55 -0.05 2.61 2.01 0.19 -2.41 115.64 116.63 2ejm s THR 24 Ca 0.00 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 2ejm s THR 24 Cb 0.00 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 2ejm s THR 24 CO 0.00 0.44 1.56 -0.63 -0.69 0.00 0.00 174.62 175.30 2ejm s ILE 25 N -0.14 3.64 -0.25 1.82 -1.09 0.40 0.11 121.20 125.69 2ejm s ILE 25 Ca -0.00 0.86 -0.16 0.00 -2.23 0.00 0.00 60.65 59.12 2ejm s ILE 25 Cb -0.11 -3.56 -0.12 0.00 -1.58 0.00 0.00 42.46 37.09 2ejm s ILE 25 CO 0.02 -0.06 -0.24 1.21 -1.23 0.00 0.00 174.94 174.64 2ejm n GLU 26 N 6.58 0.57 -4.27 2.79 4.07 0.50 0.18 120.64 131.08 2ejm n GLU 26 Ca 0.16 0.32 -0.20 0.00 -0.06 0.00 0.00 57.16 57.39 2ejm n GLU 26 Cb 0.43 -1.54 -0.13 0.00 -0.06 0.00 0.00 31.44 30.14 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 -2.52 0.90 -0.34 5.31 -0.14 -0.94 -4.54 119.74 117.48 2ejm s LYS 27 Ca -0.35 -0.88 0.01 0.00 -1.36 0.00 0.00 55.97 53.38 2ejm s LYS 27 Cb 0.12 -0.92 0.11 0.00 -1.68 0.00 0.00 37.83 35.45 2ejm s LYS 27 CO 0.49 0.22 0.12 0.08 -0.76 0.00 0.00 175.35 175.50 2ejm s VAL 28 N -1.07 1.18 -0.55 3.17 1.01 -1.26 0.73 120.40 123.61 2ejm s VAL 28 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 61.98 60.17 2ejm s VAL 28 Cb -0.09 -1.88 0.17 0.00 0.00 0.00 0.00 36.38 34.59 2ejm s VAL 28 CO 0.02 -0.71 2.47 0.49 0.00 0.00 0.00 175.10 177.36 2ejm n PHE 29 N 4.48 2.03 -4.05 5.22 3.72 0.24 -4.88 117.46 124.21 2ejm n PHE 29 Ca 0.01 -2.10 -0.14 0.00 -0.05 0.00 0.00 57.45 55.17 2ejm n PHE 29 Cb 0.40 -1.30 -0.04 0.00 -0.94 0.00 0.00 39.48 37.61 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 0.37 0.00 -3.81 -4.37 0.24 -1.22 -4.67 118.33 104.86 2ejm n VAL 30 Ca 0.49 -1.66 0.04 0.00 -2.04 0.00 0.00 64.34 61.18 2ejm n VAL 30 Cb 0.48 0.96 0.01 0.00 -1.47 0.00 0.00 33.84 33.82 2ejm n VAL 30 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2ejm s LYS 31 N -2.80 0.05 0.38 7.34 0.00 -1.26 -5.08 119.74 118.36 2ejm s LYS 31 Ca 0.27 -0.03 -0.24 0.00 0.00 0.00 0.00 55.97 55.97 2ejm s LYS 31 Cb -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 37.83 37.75 2ejm s LYS 31 CO 0.19 -0.02 1.01 0.00 0.00 0.00 0.00 175.35 176.53 2ejm s ALA 32 N -2.02 3.12 -1.93 0.59 0.00 -1.26 -3.19 121.76 117.07 2ejm s ALA 32 Ca 0.24 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2ejm s ALA 32 Cb 0.04 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2ejm s ALA 32 CO -0.05 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2ejm n GLY 33 N 0.32 0.48 3.98 0.00 0.00 0.27 -4.97 105.19 105.27 2ejm n GLY 33 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.32 4.95 -0.06 1.61 2.15 -1.19 -4.90 116.67 116.90 2ejm s ASP 34 Ca 0.00 -0.19 0.03 0.00 0.43 0.00 0.00 52.55 52.83 2ejm s ASP 34 Cb 0.00 -0.50 0.00 0.00 -0.30 0.00 0.00 42.92 42.12 2ejm s ASP 34 CO 0.00 -1.40 -0.16 -0.54 -0.17 0.00 0.00 175.17 172.90 2ejm s LYS 35 N -4.88 1.98 0.18 4.34 -0.14 -1.26 -2.27 119.74 117.69 2ejm s LYS 35 Ca 0.61 -0.58 0.03 0.00 -1.36 0.00 0.00 55.97 54.67 2ejm s LYS 35 Cb -0.08 -1.63 -0.05 0.00 -1.68 0.00 0.00 37.83 34.39 2ejm s LYS 35 CO 0.40 0.15 -0.03 0.14 -0.76 0.00 0.00 175.35 175.25 2ejm s VAL 36 N 0.34 0.96 -0.05 3.17 -7.23 -1.01 -4.99 120.40 111.59 2ejm s VAL 36 Ca -0.11 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.07 2ejm s VAL 36 Cb -0.14 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.70 2ejm s VAL 36 CO 0.04 -0.52 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.64 2ejm s LYS 37 N -3.84 1.54 -0.50 4.82 -0.14 -1.26 -3.21 119.74 117.15 2ejm s LYS 37 Ca 0.23 -0.46 -0.46 0.00 -1.36 0.00 0.00 55.97 53.93 2ejm s LYS 37 Cb 0.05 -1.33 -0.19 0.00 -1.68 0.00 0.00 37.83 34.67 2ejm s LYS 37 CO 0.04 0.13 1.84 0.00 -0.76 0.00 0.00 175.35 176.60 2ejm n ALA 38 N 3.43 -0.64 -0.31 5.17 0.00 -1.26 -0.93 120.51 125.98 2ejm n ALA 38 Ca -0.20 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2ejm n ALA 38 Cb 0.53 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 5.53 1.46 3.55 0.00 0.00 -0.96 -4.92 105.19 109.85 2ejm n GLY 39 Ca 0.41 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.14 4.34 -0.70 1.61 1.11 -0.11 -4.83 116.67 115.95 2ejm s ASP 40 Ca 0.00 -0.24 -0.26 0.00 0.18 0.00 0.00 52.55 52.23 2ejm s ASP 40 Cb 0.00 -0.92 -0.01 0.00 1.07 0.00 0.00 42.92 43.06 2ejm s ASP 40 CO 0.00 0.27 1.75 -0.94 1.18 0.00 0.00 175.17 177.43 2ejm s SER 41 N -1.42 5.47 -0.00 0.27 1.04 -1.26 -1.22 113.70 116.58 2ejm s SER 41 Ca 0.16 -0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 2ejm s SER 41 Cb -0.11 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.45 2ejm s SER 41 CO 0.07 -2.30 0.51 -0.07 0.98 0.00 0.00 173.24 172.43 2ejm h LEU 42 N 15.87 -0.10 -8.79 2.42 3.38 -1.60 -3.42 115.31 123.08 2ejm h LEU 42 Ca -0.18 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.40 2ejm h LEU 42 Cb 1.11 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 2ejm h LEU 42 CO 1.24 -0.02 -0.53 -0.04 0.09 0.00 0.00 178.44 179.18 2ejm s MET 43 N -2.23 1.57 -0.08 1.13 -1.94 -1.25 0.79 119.30 117.29 2ejm s MET 43 Ca -0.02 -1.88 0.02 0.00 -1.71 0.00 0.00 55.69 52.10 2ejm s MET 43 Cb 0.00 0.31 0.01 0.00 2.01 0.00 0.00 34.83 37.16 2ejm s MET 43 CO 0.05 -0.57 -0.14 0.08 -0.01 0.00 0.00 175.02 174.44 2ejm s VAL 44 N -3.68 1.31 0.40 -6.03 1.01 0.22 -1.94 120.40 111.69 2ejm s VAL 44 Ca 0.40 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.90 2ejm s VAL 44 Cb 0.04 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2ejm s VAL 44 CO 0.22 0.40 0.27 -0.04 0.00 0.00 0.00 175.10 175.95 2ejm s MET 45 N 0.82 2.40 -0.07 2.72 -1.94 -0.94 0.19 119.30 122.47 2ejm s MET 45 Ca -0.11 -1.65 -0.01 0.00 -1.71 0.00 0.00 55.69 52.21 2ejm s MET 45 Cb -0.15 -2.20 0.03 0.00 2.01 0.00 0.00 34.83 34.52 2ejm s MET 45 CO 0.02 -0.11 -0.02 0.42 -0.01 0.00 0.00 175.02 175.32 2ejm s ILE 46 N -2.51 0.50 0.00 2.53 -1.09 0.30 -2.08 121.20 118.85 2ejm s ILE 46 Ca 0.44 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 2ejm s ILE 46 Cb -0.00 -0.61 0.00 0.00 -1.58 0.00 0.00 42.46 40.26 2ejm s ILE 46 CO 0.25 0.27 0.00 0.00 -1.23 0.00 0.00 174.94 174.23 2ejm n ALA 47 N 4.90 2.80 -2.73 9.38 0.00 -1.24 0.55 120.51 134.17 2ejm n ALA 47 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2ejm n ALA 47 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 2ejm n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2ejm n MET 48 N -2.20 5.16 -1.96 0.00 2.81 -1.26 -4.74 117.12 114.92 2ejm n MET 48 Ca 0.00 -4.66 -0.07 0.00 -1.81 0.00 0.00 57.70 51.16 2ejm n MET 48 Cb 0.00 -2.47 -0.01 0.00 -0.71 0.00 0.00 33.22 30.03 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 0.21 -1.99 -4.35 0.03 4.01 -1.26 -4.88 118.16 109.93 2ejm n LYS 49 Ca 0.42 0.39 -0.24 0.00 -0.51 0.00 0.00 58.31 58.37 2ejm n LYS 49 Cb 0.28 -4.78 -0.13 0.00 -0.51 0.00 0.00 35.03 29.90 2ejm n LYS 49 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2ejm s MET 50 N -4.06 1.16 -0.31 1.97 -1.94 -1.26 -5.11 119.30 109.75 2ejm s MET 50 Ca 0.00 -1.12 -0.19 0.00 -1.71 0.00 0.00 55.69 52.68 2ejm s MET 50 Cb 0.00 -1.40 -0.01 0.00 2.01 0.00 0.00 34.83 35.43 2ejm s MET 50 CO 0.00 0.33 0.55 -1.21 -0.01 0.00 0.00 175.02 174.68 2ejm s GLU 51 N -1.77 3.84 -0.17 2.03 8.01 -1.26 -3.70 118.70 125.69 2ejm s GLU 51 Ca 0.06 0.13 -0.07 0.00 0.01 0.00 0.00 54.97 55.10 2ejm s GLU 51 Cb -0.10 -3.74 -0.04 0.00 -4.31 0.00 0.00 34.13 25.94 2ejm s GLU 51 CO 0.04 -0.54 0.09 -1.01 0.01 0.00 0.00 175.26 173.85 2ejm s HIS 52 N 2.45 3.35 -0.55 1.61 3.76 -0.89 -4.97 115.29 120.05 2ejm s HIS 52 Ca 0.21 0.24 -0.17 0.00 -0.15 0.00 0.00 55.06 55.19 2ejm s HIS 52 Cb -0.15 -2.04 0.12 0.00 1.11 0.00 0.00 32.58 31.62 2ejm s HIS 52 CO 0.12 0.33 0.55 0.99 -0.85 0.00 0.00 174.74 175.87 2ejm s THR 53 N -0.02 5.12 -0.74 1.30 2.01 -1.26 -2.22 115.64 119.83 2ejm s THR 53 Ca 0.08 -1.38 -0.26 0.00 0.31 0.00 0.00 61.69 60.44 2ejm s THR 53 Cb -0.12 -4.37 -0.01 0.00 0.01 0.00 0.00 72.50 68.01 2ejm s THR 53 CO 0.00 -0.93 1.74 -0.63 -0.69 0.00 0.00 174.62 174.11 2ejm s ILE 54 N 1.85 3.49 0.17 1.82 1.09 -0.82 -4.95 121.20 123.85 2ejm s ILE 54 Ca 0.05 0.02 -0.30 0.00 -1.10 0.00 0.00 60.65 59.32 2ejm s ILE 54 Cb -0.29 -4.24 -0.07 0.00 -1.06 0.00 0.00 42.46 36.80 2ejm s ILE 54 CO 0.04 -1.19 0.97 -0.54 -0.10 0.00 0.00 174.94 174.12 2ejm s LYS 55 N 6.61 4.75 0.50 2.79 -0.14 -1.26 -1.69 119.74 131.30 2ejm s LYS 55 Ca 0.60 1.49 -0.23 0.00 -1.36 0.00 0.00 55.97 56.47 2ejm s LYS 55 Cb -0.09 -3.33 -0.06 0.00 -1.68 0.00 0.00 37.83 32.67 2ejm s LYS 55 CO 0.12 0.32 1.37 0.45 -0.76 0.00 0.00 175.35 176.85 2ejm s SER 56 N -0.47 5.58 0.19 2.83 0.15 -0.36 -4.84 113.70 116.77 2ejm s SER 56 Ca 0.45 2.79 0.04 0.00 0.70 0.00 0.00 55.95 59.93 2ejm s SER 56 Cb -0.25 -2.64 0.07 0.00 -1.71 0.00 0.00 66.02 61.49 2ejm s SER 56 CO 0.31 -1.37 1.44 1.55 1.20 0.00 0.00 173.24 176.37 2ejm h PRO 57 N 1.85 0.18 -2.84 5.44 0.13 -1.93 -2.54 132.00 132.29 2ejm h PRO 57 Ca -0.51 -0.17 0.07 0.00 -0.87 0.00 0.00 66.00 64.52 2ejm h PRO 57 Cb 1.28 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 2ejm h PRO 57 CO 0.59 0.88 0.32 -1.59 -0.23 0.00 0.00 178.00 177.97 2ejm s LYS 58 N -3.35 1.78 0.47 0.86 -2.85 -1.26 -4.78 119.74 110.61 2ejm s LYS 58 Ca -0.03 -1.05 -0.20 0.00 -1.00 0.00 0.00 55.97 53.69 2ejm s LYS 58 Cb 0.11 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 36.34 2ejm s LYS 58 CO 0.81 -0.82 1.01 0.16 0.10 0.00 0.00 175.35 176.61 2ejm s ASP 59 N -3.01 6.55 0.00 0.03 -4.77 -1.26 -3.98 116.67 110.22 2ejm s ASP 59 Ca 0.13 1.84 0.00 0.00 -3.30 0.00 0.00 52.55 51.23 2ejm s ASP 59 Cb -0.05 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 2ejm s ASP 59 CO 0.07 -0.64 0.00 0.61 0.70 0.00 0.00 175.17 175.92 2ejm n GLY 60 N -0.39 0.36 3.28 2.12 0.00 -1.20 -4.90 105.19 104.46 2ejm n GLY 60 Ca 0.08 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 4.68 -0.43 2.61 2.01 -1.26 -2.40 115.64 118.85 2ejm s THR 61 Ca 0.00 -1.52 -0.42 0.00 0.31 0.00 0.00 61.69 60.06 2ejm s THR 61 Cb 0.00 -3.97 -0.17 0.00 0.01 0.00 0.00 72.50 68.37 2ejm s THR 61 CO 0.00 -0.73 1.96 0.52 -0.69 0.00 0.00 174.62 175.68 2ejm n VAL 62 N 5.06 0.09 0.16 3.82 0.31 -0.96 -2.18 118.33 124.62 2ejm n VAL 62 Ca -0.11 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.07 2ejm n VAL 62 Cb 0.41 -0.84 -0.05 0.00 -0.91 0.00 0.00 33.84 32.45 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 8.42 -0.45 -1.97 5.55 3.64 0.17 0.77 116.57 132.70 2ejm h LYS 63 Ca -0.27 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 2ejm h LYS 63 Cb 1.37 0.10 -0.20 0.00 -0.41 0.00 0.00 32.23 33.10 2ejm h LYS 63 CO 1.03 -0.20 0.21 0.21 -2.27 0.00 0.00 179.45 178.43 2ejm s LYS 64 N -3.44 1.00 0.27 1.90 2.36 -1.15 -3.81 119.74 116.87 2ejm s LYS 64 Ca -0.10 0.32 -0.13 0.00 -2.55 0.00 0.00 55.97 53.52 2ejm s LYS 64 Cb 0.01 0.47 -0.08 0.00 -1.05 0.00 0.00 37.83 37.18 2ejm s LYS 64 CO 0.32 -0.30 0.65 0.08 1.55 0.00 0.00 175.35 177.65 2ejm s VAL 65 N -1.03 4.78 -0.14 4.02 1.01 -1.26 -2.11 120.40 125.67 2ejm s VAL 65 Ca -0.09 0.78 0.09 0.00 0.00 0.00 0.00 61.98 62.76 2ejm s VAL 65 Cb -0.01 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 2ejm s VAL 65 CO 0.08 -0.10 0.00 0.49 0.00 0.00 0.00 175.10 175.58 2ejm n PHE 66 N -0.15 0.00 -4.37 5.22 3.72 -1.15 -4.98 117.46 115.74 2ejm n PHE 66 Ca 0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.16 2ejm n PHE 66 Cb 0.53 -0.64 -0.12 0.00 -0.94 0.00 0.00 39.48 38.31 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 -2.32 2.10 0.44 1.38 2.02 -1.26 -5.11 117.35 114.61 2ejm s TYR 67 Ca -0.10 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.23 2ejm s TYR 67 Cb 0.04 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 2ejm s TYR 67 CO 0.50 0.38 0.11 0.54 -1.57 0.00 0.00 175.55 175.50 2ejm n ARG 68 N 0.55 0.63 -1.71 -0.62 1.74 -1.26 -5.05 116.66 110.94 2ejm n ARG 68 Ca -0.15 -3.54 -0.43 0.00 -0.77 0.00 0.00 57.85 52.96 2ejm n ARG 68 Cb 0.55 1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 33.62 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 -1.02 2.39 -2.51 5.56 1.02 -1.26 -1.88 120.64 122.93 2ejm n GLU 69 Ca -0.10 0.85 -0.10 0.00 -0.02 0.00 0.00 57.16 57.78 2ejm n GLU 69 Cb 0.62 -2.55 0.01 0.00 -0.02 0.00 0.00 31.44 29.50 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 1.82 0.09 3.26 0.62 0.00 0.49 -4.98 105.19 106.49 2ejm n GLY 70 Ca 0.08 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.74 1.92 0.10 4.61 0.00 -0.79 -4.88 121.76 119.97 2ejm s ALA 71 Ca 0.11 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 2ejm s ALA 71 Cb -0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 2ejm s ALA 71 CO 0.13 0.46 0.39 -1.14 0.00 0.00 0.00 175.76 175.60 2ejm s GLN 72 N -0.49 3.71 0.07 0.00 0.74 -1.26 0.15 119.66 122.57 2ejm s GLN 72 Ca 0.08 0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.59 2ejm s GLN 72 Cb -0.09 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 2ejm s GLN 72 CO -0.00 0.53 -0.05 0.00 -0.55 0.00 0.00 175.29 175.22 2ejm s ALA 73 N -1.47 0.70 0.63 1.58 0.00 -1.01 -4.95 121.76 117.23 2ejm s ALA 73 Ca 0.35 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 2ejm s ALA 73 Cb -0.13 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.21 2ejm s ALA 73 CO 0.20 -0.24 0.90 1.21 0.00 0.00 0.00 175.76 177.82 2ejm s ASN 74 N -2.68 5.05 0.00 0.00 2.47 -1.26 -3.54 114.94 114.98 2ejm s ASN 74 Ca 0.05 0.24 0.07 0.00 0.42 0.00 0.00 52.86 53.64 2ejm s ASN 74 Cb 0.03 -1.01 0.41 0.00 -1.45 0.00 0.00 41.25 39.23 2ejm s ASN 74 CO -0.05 -1.37 1.17 0.54 -3.72 0.00 0.00 177.10 173.66 2ejm n ARG 75 N -2.64 0.89 -3.01 0.43 1.74 -1.26 -3.58 116.66 109.22 2ejm n ARG 75 Ca 0.08 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.01 2ejm n ARG 75 Cb 0.60 -1.12 0.01 0.00 -1.02 0.00 0.00 32.46 30.93 2ejm n ARG 75 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2ejm n HIS 76 N -0.62 -1.10 -3.90 -1.55 -0.00 -1.26 -4.54 115.22 102.26 2ejm n HIS 76 Ca 0.05 -3.11 -0.11 0.00 -0.00 0.00 0.00 57.72 54.55 2ejm n HIS 76 Cb 0.02 0.38 -0.11 0.00 -0.00 0.00 0.00 29.99 30.29 2ejm n HIS 76 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2ejm s THR 77 N -1.22 0.08 0.07 1.59 -4.23 -1.23 -4.93 115.64 105.76 2ejm s THR 77 Ca 0.33 -0.62 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 2ejm s THR 77 Cb 0.30 -0.33 -0.05 0.00 1.34 0.00 0.00 72.50 73.76 2ejm s THR 77 CO -0.09 -0.34 1.16 -2.16 -0.54 0.00 0.00 174.62 172.65 2ejm s PRO 78 N -1.14 4.46 -0.19 3.99 0.04 -1.26 -0.31 135.00 140.60 2ejm s PRO 78 Ca -0.12 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.47 2ejm s PRO 78 Cb -0.07 -3.35 -0.21 0.00 0.04 0.00 0.00 34.50 30.91 2ejm s PRO 78 CO 0.01 -0.20 0.22 1.28 0.04 0.00 0.00 177.00 178.34 2ejm n LEU 79 N 3.76 2.08 -3.82 -3.56 4.77 -0.76 -4.68 117.00 114.80 2ejm n LEU 79 Ca 0.08 0.35 -0.17 0.00 -0.03 0.00 0.00 56.01 56.25 2ejm n LEU 79 Cb 0.47 -1.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.40 2ejm n LEU 79 CO 0.55 0.45 -0.37 0.68 -1.33 0.00 0.00 177.39 177.37 2ejm s VAL 80 N -2.42 0.17 -0.26 4.08 -7.23 -1.26 -2.94 120.40 110.53 2ejm s VAL 80 Ca -0.28 0.08 -0.18 0.00 -1.81 0.00 0.00 61.98 59.79 2ejm s VAL 80 Cb 0.07 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.72 2ejm s VAL 80 CO 0.63 0.14 0.53 -0.70 -0.31 0.00 0.00 175.10 175.39 2ejm s GLU 81 N 0.95 4.07 0.50 4.82 2.12 -0.90 -4.03 118.70 126.23 2ejm s GLU 81 Ca -0.10 0.34 -0.18 0.00 0.36 0.00 0.00 54.97 55.39 2ejm s GLU 81 Cb -0.13 -3.65 -0.08 0.00 0.26 0.00 0.00 34.13 30.52 2ejm s GLU 81 CO -0.02 -0.36 0.99 -0.06 -0.54 0.00 0.00 175.26 175.27 2ejm s PHE 82 N 2.33 3.31 0.51 5.30 0.08 -0.86 0.18 117.98 128.84 2ejm s PHE 82 Ca 0.22 1.53 -0.21 0.00 0.12 0.00 0.00 56.93 58.58 2ejm s PHE 82 Cb -0.16 -2.86 -0.06 0.00 -0.57 0.00 0.00 43.02 39.37 2ejm s PHE 82 CO 0.09 -0.43 1.15 -1.21 -0.10 0.00 0.00 175.22 174.72 2ejm s GLU 83 N -3.72 3.51 0.59 0.44 0.41 -0.93 -4.62 118.70 114.38 2ejm s GLU 83 Ca 0.61 1.70 -0.15 0.00 -0.41 0.00 0.00 54.97 56.72 2ejm s GLU 83 Cb -0.11 -2.17 -0.04 0.00 -1.78 0.00 0.00 34.13 30.03 2ejm s GLU 83 CO 0.25 -0.74 1.03 -1.83 -0.49 0.00 0.00 175.26 173.49 2ejm s GLU 84 N -3.04 3.46 0.42 1.61 -1.05 -1.26 -4.89 118.70 113.95 2ejm s GLU 84 Ca 0.69 1.05 0.05 0.00 -0.15 0.00 0.00 54.97 56.60 2ejm s GLU 84 Cb -0.26 -2.06 -0.05 0.00 -0.44 0.00 0.00 34.13 31.31 2ejm s GLU 84 CO 0.31 -0.69 0.03 -1.21 0.95 0.00 0.00 175.26 174.65 2ejm s GLU 85 N -4.35 1.95 1.68 -4.83 2.02 -1.26 -5.07 118.70 108.84 2ejm s GLU 85 Ca 0.60 -2.15 0.00 0.00 0.02 0.00 0.00 54.97 53.44 2ejm s GLU 85 Cb -0.13 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.74 2ejm s GLU 85 CO 0.40 -0.20 0.00 -1.91 0.02 0.00 0.00 175.26 173.57 2ejm n GLU 86 N -0.98 0.00 0.00 1.61 4.07 -1.26 -4.79 120.64 119.29 2ejm n GLU 86 Ca -0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 2ejm n GLU 86 Cb 0.67 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.05 2ejm n GLU 86 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2ejm n SER 87 N -3.42 0.00 -3.17 4.31 2.88 -1.26 -4.93 113.62 108.04 2ejm n SER 87 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2ejm n SER 87 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2ejm n SER 87 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2ejm n ASP 88 N -1.13 2.94 -2.90 -3.46 2.03 -1.26 -4.98 116.55 107.80 2ejm n ASP 88 Ca 0.00 -3.34 -0.01 0.00 0.52 0.00 0.00 54.79 51.97 2ejm n ASP 88 Cb 0.00 -0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 39.78 2ejm n ASP 88 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ejm n LYS 89 N 0.44 -2.37 -3.91 -0.67 5.02 -1.26 -5.04 118.16 110.36 2ejm n LYS 89 Ca 0.28 2.07 -0.10 0.00 -2.02 0.00 0.00 58.31 58.54 2ejm n LYS 89 Cb 0.47 -3.51 -0.01 0.00 -0.02 0.00 0.00 35.03 31.96 2ejm n LYS 89 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2ejm s ARG 90 N -1.18 2.05 -0.08 1.97 1.70 -1.26 -5.19 118.95 116.95 2ejm s ARG 90 Ca -0.03 -1.48 -0.32 0.00 -0.47 0.00 0.00 55.73 53.43 2ejm s ARG 90 Cb 0.00 0.56 0.12 0.00 -0.57 0.00 0.00 34.95 35.06 2ejm s ARG 90 CO 0.46 -0.92 1.13 -1.83 -1.08 0.00 0.00 175.30 173.06 2ejm s GLU 91 N -2.81 0.53 -0.32 3.89 1.03 -1.26 -4.94 118.70 114.81 2ejm s GLU 91 Ca 0.20 -0.23 -0.12 0.00 0.03 0.00 0.00 54.97 54.85 2ejm s GLU 91 Cb -0.03 0.22 -0.02 0.00 -0.80 0.00 0.00 34.13 33.49 2ejm s GLU 91 CO 0.14 -0.23 0.22 -1.54 -1.33 0.00 0.00 175.26 172.51 2ejm s SER 92 N -2.47 5.99 -0.24 0.83 1.04 -1.26 -5.03 113.70 112.56 2ejm s SER 92 Ca 0.10 -0.33 -0.30 0.00 0.48 0.00 0.00 55.95 55.90 2ejm s SER 92 Cb 0.00 -2.12 0.17 0.00 0.10 0.00 0.00 66.02 64.17 2ejm s SER 92 CO -0.05 -0.18 1.24 -0.70 0.98 0.00 0.00 173.24 174.52 2ejm s GLU 93 N 1.72 0.25 0.68 4.02 2.12 -1.26 -5.18 118.70 121.05 2ejm s GLU 93 Ca 0.06 0.04 -0.05 0.00 0.36 0.00 0.00 54.97 55.38 2ejm s GLU 93 Cb -0.17 0.12 0.06 0.00 0.26 0.00 0.00 34.13 34.40 2ejm s GLU 93 CO 0.10 -0.08 0.98 0.45 -0.54 0.00 0.00 175.26 176.17 2ejm s SER 94 N -1.19 4.83 -0.19 -1.70 0.15 -1.26 -5.08 113.70 109.26 2ejm s SER 94 Ca 0.06 0.32 -0.00 0.00 0.70 0.00 0.00 55.95 57.02 2ejm s SER 94 Cb -0.01 -0.98 0.01 0.00 -1.71 0.00 0.00 66.02 63.33 2ejm s SER 94 CO -0.05 -1.56 -0.16 -0.83 1.20 0.00 0.00 173.24 171.85 2ejm s GLY 95 N -4.52 1.45 0.51 9.45 0.00 -1.26 -5.11 107.32 107.84 2ejm s GLY 95 Ca 0.60 -1.20 -0.19 0.00 0.00 0.00 0.00 44.72 43.93 2ejm s GLY 95 CO 0.44 0.31 1.04 2.56 0.00 0.00 0.00 173.10 177.44 2ejm s PRO 96 N 1.32 3.70 0.99 2.90 0.04 -1.26 -5.03 135.00 137.66 2ejm s PRO 96 Ca 0.05 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 2ejm s PRO 96 Cb -0.13 -2.08 0.18 0.00 0.04 0.00 0.00 34.50 32.51 2ejm s PRO 96 CO -0.10 -0.51 1.08 -1.54 0.04 0.00 0.00 177.00 175.98 2ejm s SER 97 N -2.19 2.51 1.08 6.66 1.04 -1.26 -4.97 113.70 116.57 2ejm s SER 97 Ca 0.66 1.65 -0.16 0.00 0.48 0.00 0.00 55.95 58.58 2ejm s SER 97 Cb -0.16 -2.29 0.12 0.00 0.10 0.00 0.00 66.02 63.79 2ejm s SER 97 CO 0.24 -3.27 0.32 -1.54 0.98 0.00 0.00 173.24 169.97 2ejm n SER 98 N -4.31 -2.08 0.00 7.02 3.41 -1.26 -5.34 113.62 111.07 2ejm n SER 98 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2ejm n SER 98 Cb 0.54 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49