#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 2.89 0.31 1.61 0.15 -1.26 -5.05 113.70 112.35 2ejm s SER 2 Ca 0.00 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2ejm s SER 2 Cb 0.00 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2ejm s SER 2 CO 0.00 -0.28 0.00 -1.20 1.20 0.00 0.00 173.24 172.96 2ejm n SER 3 N -0.58 -1.32 0.00 5.45 7.64 -1.26 -5.16 113.62 118.39 2ejm n SER 3 Ca -0.06 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2ejm n SER 3 Cb 0.63 1.39 0.00 0.00 -1.01 0.00 0.00 64.21 65.22 2ejm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ejm n GLY 4 N 0.58 5.43 1.33 0.23 0.00 -1.26 -5.12 105.19 106.38 2ejm n GLY 4 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2ejm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ejm n SER 5 N 0.00 0.66 -4.58 1.61 3.41 -1.26 -5.08 113.62 108.37 2ejm n SER 5 Ca 0.00 0.23 -0.30 0.00 -0.26 0.00 0.00 58.87 58.53 2ejm n SER 5 Cb 0.00 -0.10 0.20 0.00 -0.26 0.00 0.00 64.21 64.05 2ejm n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ejm n SER 6 N -3.44 -0.52 0.00 4.04 7.64 -1.26 -4.88 113.62 115.21 2ejm n SER 6 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2ejm n SER 6 Cb 0.03 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 2ejm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ejm n GLY 7 N 0.61 0.64 3.94 0.23 0.00 -1.26 -5.09 105.19 104.26 2ejm n GLY 7 Ca 0.09 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 2ejm n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ejm s VAL 8 N -1.73 2.37 0.16 1.61 -7.23 -1.26 -4.97 120.40 109.35 2ejm s VAL 8 Ca 0.00 -0.34 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 2ejm s VAL 8 Cb 0.00 -3.01 -0.07 0.00 0.56 0.00 0.00 36.38 33.86 2ejm s VAL 8 CO 0.00 -0.01 1.51 -0.24 -0.31 0.00 0.00 175.10 176.05 2ejm n SER 9 N -2.81 -1.03 -3.15 4.85 2.88 -1.26 -4.57 113.62 108.53 2ejm n SER 9 Ca 0.08 1.74 0.05 0.00 -1.33 0.00 0.00 58.87 59.41 2ejm n SER 9 Cb 0.60 -0.23 -0.01 0.00 -0.75 0.00 0.00 64.21 63.82 2ejm n SER 9 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ejm s SER 10 N -5.47 -0.55 -0.80 -3.46 0.15 -1.26 -5.09 113.70 97.21 2ejm s SER 10 Ca -0.12 0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.60 2ejm s SER 10 Cb 0.11 1.45 -0.05 0.00 -1.71 0.00 0.00 66.02 65.82 2ejm s SER 10 CO 0.60 -0.10 1.96 -1.10 1.20 0.00 0.00 173.24 175.80 2ejm s GLN 11 N 2.94 2.51 -1.37 5.44 -1.52 -1.26 -4.86 119.66 121.54 2ejm s GLN 11 Ca 0.03 0.06 -0.15 0.00 -1.95 0.00 0.00 55.36 53.35 2ejm s GLN 11 Cb -0.10 -4.83 0.07 0.00 -0.22 0.00 0.00 33.01 27.92 2ejm s GLN 11 CO -0.13 -3.24 1.96 0.39 -0.25 0.00 0.00 175.29 174.01 2ejm n GLU 12 N 8.96 3.07 -3.57 2.91 1.02 -1.26 -4.83 120.64 126.94 2ejm n GLU 12 Ca 0.35 -3.01 -0.10 0.00 -0.02 0.00 0.00 57.16 54.38 2ejm n GLU 12 Cb 0.48 -3.35 -0.05 0.00 -0.02 0.00 0.00 31.44 28.51 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 3.40 0.00 -0.28 2.62 -1.32 -1.26 -5.17 115.64 113.62 2ejm s THR 13 Ca 0.49 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.76 2ejm s THR 13 Cb 0.09 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.20 2ejm s THR 13 CO -0.01 0.00 0.96 -1.58 -2.21 0.00 0.00 174.62 171.78 2ejm s GLN 14 N -1.37 0.52 0.00 7.08 0.74 -1.26 -5.07 119.66 120.29 2ejm s GLN 14 Ca -0.00 0.71 0.00 0.00 0.05 0.00 0.00 55.36 56.12 2ejm s GLN 14 Cb -0.01 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.30 2ejm s GLN 14 CO 0.00 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 2ejm n GLY 15 N 2.89 -0.10 0.00 2.59 0.00 -1.26 -5.05 105.19 104.26 2ejm n GLY 15 Ca -0.15 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 3.65 3.74 -0.02 0.00 -1.18 -2.02 105.19 109.35 2ejm n GLY 16 Ca 0.00 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 2.87 4.56 0.39 1.61 0.04 -1.24 -4.89 135.00 138.34 2ejm s PRO 17 Ca 0.00 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 2ejm s PRO 17 Cb 0.00 -3.28 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 2ejm s PRO 17 CO 0.00 0.02 0.76 -0.51 0.04 0.00 0.00 177.00 177.31 2ejm s LEU 18 N -0.22 3.88 0.40 -3.56 1.43 -1.26 -0.93 118.68 118.43 2ejm s LEU 18 Ca 0.51 1.17 -0.26 0.00 -1.03 0.00 0.00 54.13 54.51 2ejm s LEU 18 Cb -0.30 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 2ejm s LEU 18 CO 0.35 -0.36 1.33 0.00 0.23 0.00 0.00 176.35 177.90 2ejm s ALA 19 N -2.28 3.30 0.18 4.21 0.00 0.55 -4.81 121.76 122.90 2ejm s ALA 19 Ca 0.52 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.78 2ejm s ALA 19 Cb -0.10 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.56 2ejm s ALA 19 CO 0.28 -0.86 1.42 -1.00 0.00 0.00 0.00 175.76 175.60 2ejm h PRO 20 N 2.73 0.23 -1.48 0.00 0.13 -1.91 -2.74 132.00 128.96 2ejm h PRO 20 Ca -0.50 -0.22 0.22 0.00 -0.87 0.00 0.00 66.00 64.63 2ejm h PRO 20 Cb 1.25 0.06 -0.20 0.00 0.13 0.00 0.00 31.00 32.23 2ejm h PRO 20 CO 0.63 0.92 0.78 1.41 -0.23 0.00 0.00 178.00 181.51 2ejm s MET 21 N -3.36 0.34 -0.39 0.86 -2.45 -1.26 -4.88 119.30 108.15 2ejm s MET 21 Ca -0.03 -0.08 -0.28 0.00 -1.25 0.00 0.00 55.69 54.05 2ejm s MET 21 Cb 0.10 0.16 -0.07 0.00 1.25 0.00 0.00 34.83 36.27 2ejm s MET 21 CO 0.82 -0.14 2.33 2.41 1.05 0.00 0.00 175.02 181.49 2ejm n THR 22 N 0.09 0.12 -3.17 10.11 -1.04 -1.26 -4.48 114.28 114.65 2ejm n THR 22 Ca -0.02 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 2ejm n THR 22 Cb 0.58 -2.46 0.00 0.00 -1.82 0.00 0.00 70.33 66.63 2ejm n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ejm n GLY 23 N 6.01 4.01 3.24 3.41 0.00 -1.15 -4.72 105.19 115.98 2ejm n GLY 23 Ca 0.36 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.93 1.68 -0.13 2.61 2.01 0.18 -2.47 115.64 117.60 2ejm s THR 24 Ca 0.00 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.65 2ejm s THR 24 Cb 0.00 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 2ejm s THR 24 CO 0.00 0.35 1.23 -0.63 -0.69 0.00 0.00 174.62 174.88 2ejm s ILE 25 N -0.64 4.30 -0.25 1.82 -1.09 0.18 0.86 121.20 126.38 2ejm s ILE 25 Ca 0.08 1.59 -0.14 0.00 -2.23 0.00 0.00 60.65 59.95 2ejm s ILE 25 Cb -0.08 -4.02 -0.11 0.00 -1.58 0.00 0.00 42.46 36.66 2ejm s ILE 25 CO 0.00 -0.09 -0.35 1.21 -1.23 0.00 0.00 174.94 174.49 2ejm n GLU 26 N 6.08 0.57 -4.29 2.79 4.07 0.29 0.16 120.64 130.30 2ejm n GLU 26 Ca 0.13 0.24 -0.19 0.00 -0.06 0.00 0.00 57.16 57.28 2ejm n GLU 26 Cb 0.45 -1.46 -0.13 0.00 -0.06 0.00 0.00 31.44 30.25 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 -2.57 0.89 -0.31 5.31 -0.14 -1.07 -4.47 119.74 117.38 2ejm s LYS 27 Ca -0.36 -0.82 -0.01 0.00 -1.36 0.00 0.00 55.97 53.42 2ejm s LYS 27 Cb 0.13 -0.90 0.10 0.00 -1.68 0.00 0.00 37.83 35.48 2ejm s LYS 27 CO 0.47 0.21 0.09 0.08 -0.76 0.00 0.00 175.35 175.44 2ejm s VAL 28 N -0.99 0.95 -0.74 3.17 1.01 -1.26 0.93 120.40 123.47 2ejm s VAL 28 Ca 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 61.98 60.52 2ejm s VAL 28 Cb -0.09 -1.71 0.28 0.00 0.00 0.00 0.00 36.38 34.86 2ejm s VAL 28 CO 0.02 -0.66 2.21 0.49 0.00 0.00 0.00 175.10 177.15 2ejm n PHE 29 N 4.82 2.64 -3.75 5.22 3.72 0.25 -4.91 117.46 125.45 2ejm n PHE 29 Ca -0.02 -2.26 -0.04 0.00 -0.05 0.00 0.00 57.45 55.08 2ejm n PHE 29 Cb 0.42 -1.24 -0.01 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 -0.21 0.00 0.00 -4.37 0.24 -1.21 -4.65 118.33 108.13 2ejm n VAL 30 Ca 0.53 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2ejm n VAL 30 Cb 0.33 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 -0.16 0.00 -2.33 7.34 -0.00 -1.26 -5.09 118.16 116.65 2ejm n LYS 31 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 2ejm n LYS 31 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.16 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 3.28 -1.50 0.58 0.00 -1.26 -2.90 121.76 117.96 2ejm s ALA 32 Ca 0.00 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 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 -0.42 0.38 0.41 0.00 0.00 0.00 175.76 176.14 2ejm n GLY 33 N 0.80 -0.42 3.99 0.00 0.00 0.43 -4.98 105.19 105.00 2ejm n GLY 33 Ca 0.02 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.54 5.30 -0.04 1.61 2.15 -1.14 -4.94 116.67 117.06 2ejm s ASP 34 Ca 0.19 -0.67 0.04 0.00 0.43 0.00 0.00 52.55 52.54 2ejm s ASP 34 Cb -0.08 -0.27 -0.00 0.00 -0.30 0.00 0.00 42.92 42.26 2ejm s ASP 34 CO 0.24 -0.95 -0.17 -0.54 -0.17 0.00 0.00 175.17 173.58 2ejm s LYS 35 N -4.40 1.68 0.05 4.34 3.01 -1.26 -2.99 119.74 120.16 2ejm s LYS 35 Ca 0.54 -0.59 -0.01 0.00 -1.01 0.00 0.00 55.97 54.90 2ejm s LYS 35 Cb -0.07 -1.49 -0.04 0.00 -1.01 0.00 0.00 37.83 35.23 2ejm s LYS 35 CO 0.33 0.26 -0.03 0.14 0.51 0.00 0.00 175.35 176.55 2ejm s VAL 36 N -0.02 0.23 -0.09 3.17 -7.23 -1.14 -5.02 120.40 110.30 2ejm s VAL 36 Ca -0.02 -1.65 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2ejm s VAL 36 Cb -0.11 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 2ejm s VAL 36 CO 0.02 -0.90 -0.06 -0.54 -0.31 0.00 0.00 175.10 173.31 2ejm s LYS 37 N -3.47 3.00 -0.50 4.82 3.01 -1.26 -3.71 119.74 121.63 2ejm s LYS 37 Ca 0.03 -0.53 -0.45 0.00 -1.01 0.00 0.00 55.97 54.01 2ejm s LYS 37 Cb 0.05 -2.68 -0.19 0.00 -1.01 0.00 0.00 37.83 33.99 2ejm s LYS 37 CO -0.08 0.56 1.97 0.00 0.51 0.00 0.00 175.35 178.31 2ejm n ALA 38 N 2.55 -0.25 -0.59 5.17 0.00 -1.26 -1.43 120.51 124.70 2ejm n ALA 38 Ca -0.18 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2ejm n ALA 38 Cb 0.53 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2ejm n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ejm n GLY 39 N 6.40 0.70 3.55 0.00 0.00 -1.06 -4.93 105.19 109.83 2ejm n GLY 39 Ca 0.47 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.84 4.27 -0.90 1.61 1.11 -0.51 -4.79 116.67 115.61 2ejm s ASP 40 Ca 0.00 -0.36 -0.24 0.00 0.18 0.00 0.00 52.55 52.13 2ejm s ASP 40 Cb 0.00 -0.81 -0.00 0.00 1.07 0.00 0.00 42.92 43.17 2ejm s ASP 40 CO 0.00 0.22 1.71 -0.44 1.18 0.00 0.00 175.17 177.84 2ejm s SER 41 N -1.85 5.71 0.00 0.27 0.01 -1.26 -1.76 113.70 114.82 2ejm s SER 41 Ca 0.19 -0.82 -0.02 0.00 1.31 0.00 0.00 55.95 56.61 2ejm s SER 41 Cb -0.11 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 2ejm s SER 41 CO 0.10 -2.20 0.79 -0.07 0.41 0.00 0.00 173.24 172.27 2ejm h LEU 42 N 15.55 -0.06 -8.80 2.44 3.38 -1.69 -3.40 115.31 122.73 2ejm h LEU 42 Ca 0.06 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.64 2ejm h LEU 42 Cb 1.03 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 2ejm h LEU 42 CO 1.29 -0.04 -0.53 -0.04 0.09 0.00 0.00 178.44 179.22 2ejm s MET 43 N -2.69 1.57 -0.09 1.13 -1.94 -1.25 0.85 119.30 116.88 2ejm s MET 43 Ca -0.01 -1.89 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 0.03 -0.56 -0.15 0.08 -0.01 0.00 0.00 175.02 174.41 2ejm s VAL 44 N -3.68 1.41 0.40 -6.03 1.01 0.26 -2.08 120.40 111.70 2ejm s VAL 44 Ca 0.40 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2ejm s VAL 44 Cb 0.04 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2ejm s VAL 44 CO 0.22 0.42 0.29 -0.04 0.00 0.00 0.00 175.10 175.99 2ejm s MET 45 N 0.76 2.43 -0.03 2.72 -1.94 -0.88 0.11 119.30 122.47 2ejm s MET 45 Ca -0.12 -1.62 -0.01 0.00 -1.71 0.00 0.00 55.69 52.23 2ejm s MET 45 Cb -0.16 -2.24 0.03 0.00 2.01 0.00 0.00 34.83 34.47 2ejm s MET 45 CO 0.02 -0.13 0.04 0.42 -0.01 0.00 0.00 175.02 175.37 2ejm s ILE 46 N -2.50 -0.06 0.00 2.53 1.01 0.25 -0.54 121.20 121.89 2ejm s ILE 46 Ca 0.45 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2ejm s ILE 46 Cb -0.01 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.34 2ejm s ILE 46 CO 0.26 0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.32 2ejm n ALA 47 N 4.61 1.74 -2.19 9.38 0.00 -1.20 0.50 120.51 133.36 2ejm n ALA 47 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2ejm n ALA 47 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2ejm n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ejm n MET 48 N -0.74 3.69 -3.22 0.00 -0.00 -1.26 -4.60 117.12 110.99 2ejm n MET 48 Ca 0.00 -3.38 -0.17 0.00 -0.00 0.00 0.00 57.70 54.14 2ejm n MET 48 Cb 0.00 -2.91 -0.02 0.00 -0.00 0.00 0.00 33.22 30.28 2ejm n MET 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2ejm n LYS 49 N 3.75 -2.40 -4.11 3.17 5.02 -1.26 -4.88 118.16 117.46 2ejm n LYS 49 Ca 0.45 0.18 -0.15 0.00 -2.02 0.00 0.00 58.31 56.77 2ejm n LYS 49 Cb 0.34 -4.75 -0.12 0.00 -0.02 0.00 0.00 35.03 30.49 2ejm n LYS 49 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2ejm s MET 50 N -5.81 0.64 -0.23 1.97 -1.94 -1.26 -5.13 119.30 107.54 2ejm s MET 50 Ca 0.31 -0.85 -0.14 0.00 -1.71 0.00 0.00 55.69 53.29 2ejm s MET 50 Cb -0.17 -0.47 -0.04 0.00 2.01 0.00 0.00 34.83 36.15 2ejm s MET 50 CO 0.38 0.09 0.34 -1.21 -0.01 0.00 0.00 175.02 174.61 2ejm s GLU 51 N -1.75 4.11 0.12 2.03 8.01 -1.26 -3.20 118.70 126.76 2ejm s GLU 51 Ca -0.06 0.06 0.03 0.00 0.01 0.00 0.00 54.97 55.01 2ejm s GLU 51 Cb -0.09 -3.57 -0.04 0.00 -4.31 0.00 0.00 34.13 26.12 2ejm s GLU 51 CO 0.01 -0.09 0.16 -1.01 0.01 0.00 0.00 175.26 174.34 2ejm s HIS 52 N 1.47 3.29 -0.35 1.61 3.76 0.30 -4.94 115.29 120.44 2ejm s HIS 52 Ca 0.16 0.08 0.04 0.00 -0.15 0.00 0.00 55.06 55.19 2ejm s HIS 52 Cb -0.15 -1.62 0.10 0.00 1.11 0.00 0.00 32.58 32.03 2ejm s HIS 52 CO 0.08 0.53 0.06 0.99 -0.85 0.00 0.00 174.74 175.55 2ejm s THR 53 N -1.60 2.23 -0.64 1.30 2.01 -1.26 -2.07 115.64 115.61 2ejm s THR 53 Ca 0.32 -2.35 -0.26 0.00 0.31 0.00 0.00 61.69 59.70 2ejm s THR 53 Cb -0.11 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 2ejm s THR 53 CO 0.25 -0.61 1.78 -0.63 -0.69 0.00 0.00 174.62 174.72 2ejm s ILE 54 N 0.88 3.41 0.20 1.82 1.09 -0.88 -4.95 121.20 122.76 2ejm s ILE 54 Ca 0.11 0.21 -0.28 0.00 -1.10 0.00 0.00 60.65 59.60 2ejm s ILE 54 Cb -0.19 -4.08 -0.08 0.00 -1.06 0.00 0.00 42.46 37.04 2ejm s ILE 54 CO -0.08 -1.05 0.86 -0.54 -0.10 0.00 0.00 174.94 174.03 2ejm s LYS 55 N 6.86 4.71 0.33 2.79 -0.14 -1.26 -2.11 119.74 130.92 2ejm s LYS 55 Ca 0.63 1.32 -0.29 0.00 -1.36 0.00 0.00 55.97 56.27 2ejm s LYS 55 Cb -0.12 -3.28 -0.11 0.00 -1.68 0.00 0.00 37.83 32.65 2ejm s LYS 55 CO 0.19 0.53 1.47 0.45 -0.76 0.00 0.00 175.35 177.23 2ejm s SER 56 N -1.11 6.48 0.32 2.83 0.15 -0.72 -4.87 113.70 116.79 2ejm s SER 56 Ca 0.39 2.90 0.16 0.00 0.70 0.00 0.00 55.95 60.10 2ejm s SER 56 Cb -0.24 -2.65 0.41 0.00 -1.71 0.00 0.00 66.02 61.83 2ejm s SER 56 CO 0.29 -0.79 1.61 1.55 1.20 0.00 0.00 173.24 177.10 2ejm h PRO 57 N 3.83 0.00 -2.80 5.44 0.13 -1.94 -2.81 132.00 133.84 2ejm h PRO 57 Ca -0.49 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.72 2ejm h PRO 57 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2ejm h PRO 57 CO 0.70 0.48 0.34 -1.59 -0.23 0.00 0.00 178.00 177.70 2ejm s LYS 58 N -3.35 1.73 -0.15 0.86 0.00 -1.26 -4.85 119.74 112.71 2ejm s LYS 58 Ca 0.01 -1.03 -0.28 0.00 0.00 0.00 0.00 55.97 54.68 2ejm s LYS 58 Cb 0.10 0.54 -0.01 0.00 0.00 0.00 0.00 37.83 38.46 2ejm s LYS 58 CO 0.72 -0.80 0.94 0.16 0.00 0.00 0.00 175.35 176.37 2ejm s ASP 59 N -3.02 7.10 0.36 0.03 -4.77 -1.26 -4.26 116.67 110.84 2ejm s ASP 59 Ca 0.14 1.36 -0.17 0.00 -3.30 0.00 0.00 52.55 50.57 2ejm s ASP 59 Cb -0.04 -2.51 0.05 0.00 -1.09 0.00 0.00 42.92 39.33 2ejm s ASP 59 CO 0.07 -0.47 0.79 -0.83 0.70 0.00 0.00 175.17 175.43 2ejm s GLY 60 N 1.14 0.27 -0.35 2.12 0.00 -1.24 -4.93 107.32 104.33 2ejm s GLY 60 Ca 0.43 -0.65 -0.03 0.00 0.00 0.00 0.00 44.72 44.48 2ejm s GLY 60 CO 0.13 -0.17 0.09 -1.59 0.00 0.00 0.00 173.10 171.57 2ejm s THR 61 N -2.61 3.20 -0.42 0.90 2.01 -1.26 -2.89 115.64 114.57 2ejm s THR 61 Ca 0.15 -1.62 -0.43 0.00 0.31 0.00 0.00 61.69 60.10 2ejm s THR 61 Cb -0.05 -2.98 -0.17 0.00 0.01 0.00 0.00 72.50 69.30 2ejm s THR 61 CO 0.10 -0.35 1.88 0.52 -0.69 0.00 0.00 174.62 176.09 2ejm n VAL 62 N 4.63 0.11 0.04 3.82 0.31 -1.16 -1.27 118.33 124.81 2ejm n VAL 62 Ca -0.09 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.11 2ejm n VAL 62 Cb 0.43 -0.86 -0.06 0.00 -0.91 0.00 0.00 33.84 32.44 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 7.83 -0.19 -2.44 5.55 3.64 0.18 1.26 116.57 132.40 2ejm h LYS 63 Ca -0.32 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.99 2ejm h LYS 63 Cb 1.36 0.04 -0.21 0.00 -0.41 0.00 0.00 32.23 33.02 2ejm h LYS 63 CO 1.01 0.15 -0.04 0.21 -2.27 0.00 0.00 179.45 178.52 2ejm s LYS 64 N -2.76 0.80 0.11 1.90 2.36 -1.14 -3.77 119.74 117.24 2ejm s LYS 64 Ca -0.09 0.31 -0.09 0.00 -2.55 0.00 0.00 55.97 53.54 2ejm s LYS 64 Cb -0.00 0.37 -0.06 0.00 -1.05 0.00 0.00 37.83 37.09 2ejm s LYS 64 CO 0.33 -0.20 0.43 0.08 1.55 0.00 0.00 175.35 177.54 2ejm s VAL 65 N -0.70 5.07 -0.20 4.02 1.01 -1.26 -2.04 120.40 126.29 2ejm s VAL 65 Ca -0.08 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2ejm s VAL 65 Cb -0.03 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.57 2ejm s VAL 65 CO 0.05 0.20 -0.17 0.49 0.00 0.00 0.00 175.10 175.67 2ejm n PHE 66 N 0.64 0.00 -4.75 5.22 3.72 -1.20 -4.99 117.46 116.11 2ejm n PHE 66 Ca -0.06 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.02 2ejm n PHE 66 Cb 0.52 -0.76 -0.12 0.00 -0.94 0.00 0.00 39.48 38.18 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 -2.39 2.73 0.26 1.38 2.02 -1.25 -5.13 117.35 114.96 2ejm s TYR 67 Ca -0.26 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2ejm s TYR 67 Cb 0.07 -1.60 0.02 0.00 -0.40 0.00 0.00 41.96 40.04 2ejm s TYR 67 CO 0.46 0.25 0.14 0.54 -1.57 0.00 0.00 175.55 175.37 2ejm n ARG 68 N 2.03 1.19 -1.72 -0.62 5.12 -1.26 -5.04 116.66 116.35 2ejm n ARG 68 Ca -0.17 -1.70 -0.38 0.00 -1.93 0.00 0.00 57.85 53.67 2ejm n ARG 68 Cb 0.52 0.26 0.05 0.00 -1.16 0.00 0.00 32.46 32.14 2ejm n ARG 68 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2ejm n GLU 69 N -0.98 1.47 -3.97 5.56 1.02 -1.26 -2.34 120.64 120.14 2ejm n GLU 69 Ca -0.04 0.55 -0.31 0.00 -0.02 0.00 0.00 57.16 57.34 2ejm n GLU 69 Cb 0.31 -2.50 0.02 0.00 -0.02 0.00 0.00 31.44 29.24 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 0.87 -0.48 3.50 0.62 0.00 0.42 -4.95 105.19 105.18 2ejm n GLY 70 Ca 0.12 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.32 2.74 -0.23 4.61 0.00 -0.99 -4.87 121.76 119.71 2ejm s ALA 71 Ca 0.66 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 2ejm s ALA 71 Cb -0.33 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 2ejm s ALA 71 CO 0.85 0.58 0.14 -1.14 0.00 0.00 0.00 175.76 176.20 2ejm s GLN 72 N -1.34 4.07 0.15 0.00 0.74 -1.26 0.52 119.66 122.53 2ejm s GLN 72 Ca 0.15 -0.27 0.04 0.00 0.05 0.00 0.00 55.36 55.33 2ejm s GLN 72 Cb -0.11 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 2ejm s GLN 72 CO 0.05 0.12 -0.10 0.00 -0.55 0.00 0.00 175.29 174.81 2ejm s ALA 73 N 0.89 1.45 0.38 1.58 0.00 -1.03 -5.02 121.76 120.01 2ejm s ALA 73 Ca 0.07 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.61 2ejm s ALA 73 Cb -0.13 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 2ejm s ALA 73 CO 0.03 -0.11 0.51 -0.80 0.00 0.00 0.00 175.76 175.39 2ejm s ASN 74 N -3.17 5.78 0.41 0.00 0.01 -1.26 -2.94 114.94 113.76 2ejm s ASN 74 Ca 0.17 -0.32 -0.23 0.00 -0.71 0.00 0.00 52.86 51.77 2ejm s ASN 74 Cb 0.03 -0.93 -0.10 0.00 0.41 0.00 0.00 41.25 40.66 2ejm s ASN 74 CO 0.01 -0.60 0.99 -0.60 -1.51 0.00 0.00 177.10 175.39 2ejm s ARG 75 N -4.26 4.22 0.00 -0.60 3.52 -1.26 -3.43 118.95 117.14 2ejm s ARG 75 Ca 0.50 1.30 0.00 0.00 -0.13 0.00 0.00 55.73 57.40 2ejm s ARG 75 Cb -0.10 -2.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.90 2ejm s ARG 75 CO 0.32 -0.05 0.00 0.72 -0.81 0.00 0.00 175.30 175.48 2ejm n HIS 76 N -0.29 0.00 -1.68 5.12 8.25 -1.04 -4.88 115.22 120.71 2ejm n HIS 76 Ca 0.06 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.14 2ejm n HIS 76 Cb 0.52 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.68 2ejm n HIS 76 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2ejm n THR 77 N 0.00 3.97 -2.39 1.59 -2.24 -1.22 -4.19 114.28 109.79 2ejm n THR 77 Ca 0.00 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 2ejm n THR 77 Cb 0.00 -1.39 -0.02 0.00 -2.10 0.00 0.00 70.33 66.82 2ejm n THR 77 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2ejm s PRO 78 N -2.89 4.03 -0.01 -0.78 0.04 -1.26 -0.33 135.00 133.79 2ejm s PRO 78 Ca 0.75 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 2ejm s PRO 78 Cb -0.42 -3.85 -0.15 0.00 0.04 0.00 0.00 34.50 30.12 2ejm s PRO 78 CO 0.47 -0.97 1.06 -0.07 0.04 0.00 0.00 177.00 177.53 2ejm h LEU 79 N 10.48 -0.34 -8.60 -3.56 3.38 -1.35 -3.45 115.31 111.86 2ejm h LEU 79 Ca -0.27 -0.20 -0.32 0.00 0.09 0.00 0.00 57.88 57.19 2ejm h LEU 79 Cb 1.10 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 2ejm h LEU 79 CO 1.00 0.09 -0.72 0.68 0.09 0.00 0.00 178.44 179.59 2ejm s VAL 80 N -4.15 1.10 -0.21 1.22 -7.23 -1.26 -3.23 120.40 106.64 2ejm s VAL 80 Ca -0.13 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.02 2ejm s VAL 80 Cb 0.01 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 2ejm s VAL 80 CO 0.48 -0.73 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.79 2ejm s GLU 81 N -3.61 3.35 0.55 4.82 2.12 -0.87 -3.10 118.70 121.97 2ejm s GLU 81 Ca 0.15 -0.64 -0.16 0.00 0.36 0.00 0.00 54.97 54.68 2ejm s GLU 81 Cb 0.02 -2.96 -0.06 0.00 0.26 0.00 0.00 34.13 31.40 2ejm s GLU 81 CO -0.00 -0.17 1.02 -0.06 -0.54 0.00 0.00 175.26 175.50 2ejm s PHE 82 N 1.39 3.30 0.84 5.30 0.08 -0.86 0.18 117.98 128.22 2ejm s PHE 82 Ca 0.05 1.47 -0.11 0.00 0.12 0.00 0.00 56.93 58.45 2ejm s PHE 82 Cb -0.14 -2.86 0.10 0.00 -0.57 0.00 0.00 43.02 39.54 2ejm s PHE 82 CO -0.04 -0.67 1.09 -1.21 -0.10 0.00 0.00 175.22 174.30 2ejm s GLU 83 N -4.19 1.72 -1.23 0.44 0.41 -0.39 -4.50 118.70 110.96 2ejm s GLU 83 Ca 0.60 0.98 -0.19 0.00 -0.41 0.00 0.00 54.97 55.95 2ejm s GLU 83 Cb -0.12 -1.85 0.06 0.00 -1.78 0.00 0.00 34.13 30.43 2ejm s GLU 83 CO 0.36 -1.96 1.69 -2.00 -0.49 0.00 0.00 175.26 172.86 2ejm s GLU 84 N -4.92 3.81 0.56 1.61 2.12 -1.26 -4.86 118.70 115.75 2ejm s GLU 84 Ca 0.62 -1.75 -0.08 0.00 0.36 0.00 0.00 54.97 54.13 2ejm s GLU 84 Cb -0.18 -5.48 -0.03 0.00 0.26 0.00 0.00 34.13 28.70 2ejm s GLU 84 CO 0.56 -2.36 0.92 -1.83 -0.54 0.00 0.00 175.26 172.02 2ejm s GLU 85 N 4.54 3.46 0.03 4.30 1.03 -1.26 -5.10 118.70 125.70 2ejm s GLU 85 Ca 0.53 0.42 -0.04 0.00 0.03 0.00 0.00 54.97 55.91 2ejm s GLU 85 Cb 0.03 -2.22 -0.01 0.00 -0.80 0.00 0.00 34.13 31.12 2ejm s GLU 85 CO 0.04 -0.46 0.07 -1.21 -1.33 0.00 0.00 175.26 172.37 2ejm s GLU 86 N -4.98 0.52 -0.08 -4.83 2.02 -1.26 -5.04 118.70 105.05 2ejm s GLU 86 Ca 0.52 -0.71 -0.06 0.00 0.02 0.00 0.00 54.97 54.74 2ejm s GLU 86 Cb -0.11 0.20 0.02 0.00 0.10 0.00 0.00 34.13 34.34 2ejm s GLU 86 CO 0.49 -0.12 0.11 0.43 0.02 0.00 0.00 175.26 176.20 2ejm n SER 87 N 1.00 -4.50 -2.94 -0.19 7.64 -1.26 -5.06 113.62 108.31 2ejm n SER 87 Ca -0.20 1.50 0.04 0.00 1.01 0.00 0.00 58.87 61.21 2ejm n SER 87 Cb 0.57 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 59.15 2ejm n SER 87 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ejm s ASP 88 N -0.53 -0.34 -0.40 6.43 -1.08 -1.26 -5.12 116.67 114.38 2ejm s ASP 88 Ca -0.13 -0.07 0.02 0.00 -0.52 0.00 0.00 52.55 51.85 2ejm s ASP 88 Cb 0.01 0.79 0.12 0.00 -1.46 0.00 0.00 42.92 42.37 2ejm s ASP 88 CO 0.36 -0.05 0.15 -0.75 0.52 0.00 0.00 175.17 175.40 2ejm s LYS 89 N 2.42 1.35 0.50 4.34 2.47 -1.26 -5.10 119.74 124.46 2ejm s LYS 89 Ca 0.21 -1.88 -0.23 0.00 -1.56 0.00 0.00 55.97 52.52 2ejm s LYS 89 Cb 0.01 -2.72 -0.07 0.00 -1.46 0.00 0.00 37.83 33.59 2ejm s LYS 89 CO -0.18 -1.04 1.20 0.54 0.16 0.00 0.00 175.35 176.03 2ejm n ARG 90 N 3.97 1.57 -4.26 4.03 5.12 -1.26 -5.01 116.66 120.82 2ejm n ARG 90 Ca 0.04 0.57 -0.29 0.00 -1.93 0.00 0.00 57.85 56.24 2ejm n ARG 90 Cb 0.38 -2.36 -0.11 0.00 -1.16 0.00 0.00 32.46 29.21 2ejm n ARG 90 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2ejm s GLU 91 N -2.52 1.95 -0.30 5.56 2.02 -1.26 -5.10 118.70 119.05 2ejm s GLU 91 Ca 0.68 -1.11 -0.08 0.00 0.02 0.00 0.00 54.97 54.48 2ejm s GLU 91 Cb -0.46 -2.21 0.18 0.00 0.10 0.00 0.00 34.13 31.74 2ejm s GLU 91 CO 0.53 0.49 0.92 0.45 0.02 0.00 0.00 175.26 177.67 2ejm s SER 92 N -2.20 -0.75 0.20 -0.19 0.15 -1.26 -5.17 113.70 104.49 2ejm s SER 92 Ca 0.20 0.29 -0.01 0.00 0.70 0.00 0.00 55.95 57.13 2ejm s SER 92 Cb -0.11 1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 65.71 2ejm s SER 92 CO 0.12 -0.14 0.40 -1.61 1.20 0.00 0.00 173.24 173.21 2ejm s GLU 93 N 2.92 3.53 0.23 5.44 0.41 -1.26 -5.11 118.70 124.87 2ejm s GLU 93 Ca 0.12 -0.30 -0.13 0.00 -0.41 0.00 0.00 54.97 54.25 2ejm s GLU 93 Cb -0.09 -2.83 -0.00 0.00 -1.78 0.00 0.00 34.13 29.44 2ejm s GLU 93 CO -0.18 0.39 0.45 -1.12 -0.49 0.00 0.00 175.26 174.32 2ejm s SER 94 N -3.11 -0.09 -0.28 -0.19 0.01 -1.26 -5.15 113.70 103.63 2ejm s SER 94 Ca 0.39 -0.86 -0.06 0.00 1.31 0.00 0.00 55.95 56.73 2ejm s SER 94 Cb -0.11 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.69 2ejm s SER 94 CO 0.29 -1.09 0.05 -0.83 0.41 0.00 0.00 173.24 172.07 2ejm s GLY 95 N -2.99 1.75 0.65 3.44 0.00 -1.26 -5.10 107.32 103.81 2ejm s GLY 95 Ca 0.20 -1.40 -0.13 0.00 0.00 0.00 0.00 44.72 43.39 2ejm s GLY 95 CO 0.06 0.60 1.06 2.56 0.00 0.00 0.00 173.10 177.38 2ejm s PRO 96 N 1.49 3.13 0.36 2.90 0.04 -1.26 -5.07 135.00 136.58 2ejm s PRO 96 Ca 0.03 1.05 0.08 0.00 0.04 0.00 0.00 61.00 62.19 2ejm s PRO 96 Cb -0.17 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2ejm s PRO 96 CO 0.01 -0.95 0.24 0.45 0.04 0.00 0.00 177.00 176.79 2ejm s SER 97 N -3.39 4.95 1.09 6.66 0.15 -1.26 -5.10 113.70 116.80 2ejm s SER 97 Ca 0.60 -0.69 -0.21 0.00 0.70 0.00 0.00 55.95 56.35 2ejm s SER 97 Cb -0.15 -0.77 0.03 0.00 -1.71 0.00 0.00 66.02 63.43 2ejm s SER 97 CO 0.47 -0.40 -0.40 -1.54 1.20 0.00 0.00 173.24 172.56 2ejm n SER 98 N -1.31 -2.54 0.00 5.45 3.41 -1.26 -5.35 113.62 112.02 2ejm n SER 98 Ca -0.01 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2ejm n SER 98 Cb 0.61 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49