#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 -0.80 -0.01 1.61 0.15 -1.26 -5.15 113.70 108.24 2ejm s SER 2 Ca 0.00 1.35 -0.19 0.00 0.70 0.00 0.00 55.95 57.81 2ejm s SER 2 Cb 0.00 1.26 -0.06 0.00 -1.71 0.00 0.00 66.02 65.51 2ejm s SER 2 CO 0.00 -0.23 0.53 -0.55 1.20 0.00 0.00 173.24 174.19 2ejm s SER 3 N 1.26 6.91 0.00 5.45 0.15 -1.26 -4.99 113.70 121.22 2ejm s SER 3 Ca -0.07 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2ejm s SER 3 Cb -0.05 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2ejm s SER 3 CO -0.13 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2ejm n GLY 4 N 2.29 -1.42 3.01 9.45 0.00 -1.26 -5.12 105.19 112.13 2ejm n GLY 4 Ca -0.09 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 2ejm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ejm s SER 5 N -3.77 2.30 -0.20 1.61 0.15 -1.26 -5.11 113.70 107.43 2ejm s SER 5 Ca 0.00 -0.39 -0.08 0.00 0.70 0.00 0.00 55.95 56.18 2ejm s SER 5 Cb 0.00 -1.00 0.08 0.00 -1.71 0.00 0.00 66.02 63.39 2ejm s SER 5 CO 0.00 -0.02 0.44 -0.44 1.20 0.00 0.00 173.24 174.42 2ejm s SER 6 N 1.16 -0.43 0.00 5.45 0.01 -1.26 -5.11 113.70 113.53 2ejm s SER 6 Ca -0.04 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2ejm s SER 6 Cb -0.14 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.27 2ejm s SER 6 CO -0.03 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2ejm n GLY 7 N 4.92 3.26 2.52 3.44 0.00 -1.26 -4.82 105.19 113.25 2ejm n GLY 7 Ca -0.15 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 2ejm n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ejm n VAL 8 N 0.00 0.88 -3.98 1.61 0.24 -1.26 -5.08 118.33 110.75 2ejm n VAL 8 Ca 0.00 -3.80 -0.11 0.00 -2.04 0.00 0.00 64.34 58.39 2ejm n VAL 8 Cb 0.00 0.12 -0.12 0.00 -1.47 0.00 0.00 33.84 32.37 2ejm n VAL 8 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2ejm s SER 9 N -2.98 0.29 -0.28 -1.34 1.04 -1.26 -5.13 113.70 104.04 2ejm s SER 9 Ca 0.34 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 2ejm s SER 9 Cb 0.41 0.05 0.17 0.00 0.10 0.00 0.00 66.02 66.75 2ejm s SER 9 CO -0.03 -0.17 0.52 -0.94 0.98 0.00 0.00 173.24 173.61 2ejm s SER 10 N -0.94 -0.82 -0.07 7.02 1.04 -1.26 -5.15 113.70 113.52 2ejm s SER 10 Ca -0.09 0.55 -0.30 0.00 0.48 0.00 0.00 55.95 56.60 2ejm s SER 10 Cb -0.06 1.78 0.10 0.00 0.10 0.00 0.00 66.02 67.94 2ejm s SER 10 CO -0.00 -0.28 0.84 0.00 0.98 0.00 0.00 173.24 174.77 2ejm s GLN 11 N 2.74 0.85 -1.08 4.02 0.00 -1.26 -5.09 119.66 119.84 2ejm s GLN 11 Ca 0.17 0.05 -0.16 0.00 -0.00 0.00 0.00 55.36 55.41 2ejm s GLN 11 Cb -0.15 0.40 0.15 0.00 0.00 0.00 0.00 33.01 33.41 2ejm s GLN 11 CO -0.20 -0.30 1.30 -1.21 0.00 0.00 0.00 175.29 174.88 2ejm s GLU 12 N -1.74 3.86 -0.05 9.60 2.02 -1.26 -4.99 118.70 126.15 2ejm s GLU 12 Ca -0.03 -2.18 -0.01 0.00 0.02 0.00 0.00 54.97 52.77 2ejm s GLU 12 Cb -0.00 -5.01 -0.04 0.00 0.10 0.00 0.00 34.13 29.18 2ejm s GLU 12 CO 0.01 -1.79 0.02 0.99 0.02 0.00 0.00 175.26 174.52 2ejm s THR 13 N 2.18 4.41 -0.45 3.63 2.01 -1.26 -5.03 115.64 121.13 2ejm s THR 13 Ca 0.38 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.09 2ejm s THR 13 Cb -0.03 -2.92 0.31 0.00 0.01 0.00 0.00 72.50 69.87 2ejm s THR 13 CO -0.04 0.49 1.12 0.00 -0.69 0.00 0.00 174.62 175.50 2ejm n GLN 14 N 1.74 0.95 0.01 4.92 10.64 -1.26 -5.02 117.38 129.36 2ejm n GLN 14 Ca -0.16 -1.84 -0.00 0.00 -1.83 0.00 0.00 57.00 53.16 2ejm n GLN 14 Cb 0.53 -1.01 -0.00 0.00 -0.86 0.00 0.00 30.24 28.91 2ejm n GLN 14 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ejm n GLY 15 N 0.46 0.07 0.00 2.61 0.00 -1.26 -5.12 105.19 101.95 2ejm n GLY 15 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 3.43 2.79 3.80 -0.02 0.00 -1.25 -4.53 105.19 109.41 2ejm n GLY 16 Ca -0.00 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.00 3.60 -0.09 1.61 0.04 -1.26 -4.96 135.00 132.95 2ejm s PRO 17 Ca 0.00 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.31 2ejm s PRO 17 Cb 0.00 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2ejm s PRO 17 CO 0.00 -0.59 -0.07 -0.51 0.04 0.00 0.00 177.00 175.88 2ejm s LEU 18 N -3.96 3.16 0.68 -3.56 1.43 -1.26 -2.92 118.68 112.26 2ejm s LEU 18 Ca 0.65 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.53 2ejm s LEU 18 Cb -0.16 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 2ejm s LEU 18 CO 0.28 0.32 0.87 0.00 0.23 0.00 0.00 176.35 178.05 2ejm n ALA 19 N 2.51 -0.37 -0.04 4.21 0.00 0.02 -4.75 120.51 122.09 2ejm n ALA 19 Ca -0.18 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 2ejm n ALA 19 Cb 0.53 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.81 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 -0.02 0.03 -3.05 0.00 0.13 -1.92 -2.65 132.00 124.51 2ejm h PRO 20 Ca -0.47 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2ejm h PRO 20 Cb 1.35 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 2ejm h PRO 20 CO 0.47 0.77 0.20 1.41 -0.23 0.00 0.00 178.00 180.62 2ejm s MET 21 N -3.23 1.69 -0.24 0.86 -2.45 -1.26 -4.39 119.30 110.27 2ejm s MET 21 Ca -0.17 -0.93 -0.30 0.00 -1.25 0.00 0.00 55.69 53.04 2ejm s MET 21 Cb -0.00 0.60 -0.07 0.00 1.25 0.00 0.00 34.83 36.60 2ejm s MET 21 CO 0.69 -0.76 2.21 2.41 1.05 0.00 0.00 175.02 180.62 2ejm n THR 22 N -0.44 0.31 -2.64 10.11 -1.04 -1.26 -4.49 114.28 114.83 2ejm n THR 22 Ca -0.06 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 2ejm n THR 22 Cb 0.60 -2.35 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 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 5.93 3.44 3.26 3.41 0.00 -1.16 -4.66 105.19 115.40 2ejm n GLY 23 Ca 0.32 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.42 1.64 -0.14 2.61 2.01 -0.89 -1.30 115.64 117.14 2ejm s THR 24 Ca 0.00 -1.35 -0.29 0.00 0.31 0.00 0.00 61.69 60.35 2ejm s THR 24 Cb 0.00 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 2ejm s THR 24 CO 0.00 0.05 1.15 -0.63 -0.69 0.00 0.00 174.62 174.51 2ejm s ILE 25 N -0.99 4.45 -0.25 1.82 -1.09 -0.17 0.81 121.20 125.78 2ejm s ILE 25 Ca 0.06 1.75 -0.17 0.00 -2.23 0.00 0.00 60.65 60.06 2ejm s ILE 25 Cb -0.09 -4.13 -0.15 0.00 -1.58 0.00 0.00 42.46 36.51 2ejm s ILE 25 CO 0.03 -0.09 -0.12 1.21 -1.23 0.00 0.00 174.94 174.74 2ejm n GLU 26 N 5.90 0.58 -4.10 2.79 4.07 0.48 0.09 120.64 130.45 2ejm n GLU 26 Ca 0.12 0.40 -0.13 0.00 -0.06 0.00 0.00 57.16 57.49 2ejm n GLU 26 Cb 0.46 -1.60 -0.11 0.00 -0.06 0.00 0.00 31.44 30.13 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 -2.45 0.64 -0.26 5.31 -0.14 -0.91 -4.68 119.74 117.25 2ejm s LYS 27 Ca -0.34 -0.94 -0.03 0.00 -1.36 0.00 0.00 55.97 53.30 2ejm s LYS 27 Cb 0.11 -0.31 0.09 0.00 -1.68 0.00 0.00 37.83 36.03 2ejm s LYS 27 CO 0.53 0.04 0.10 0.08 -0.76 0.00 0.00 175.35 175.33 2ejm s VAL 28 N -2.01 0.34 -0.83 3.17 1.01 -1.26 0.88 120.40 121.71 2ejm s VAL 28 Ca -0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2ejm s VAL 28 Cb -0.06 -1.16 0.35 0.00 0.00 0.00 0.00 36.38 35.52 2ejm s VAL 28 CO -0.01 -0.55 1.94 0.49 0.00 0.00 0.00 175.10 176.97 2ejm n PHE 29 N 5.09 3.01 -3.72 5.22 3.72 0.33 -4.93 117.46 126.16 2ejm n PHE 29 Ca -0.06 -2.41 -0.07 0.00 -0.05 0.00 0.00 57.45 54.87 2ejm n PHE 29 Cb 0.44 -1.10 -0.01 0.00 -0.94 0.00 0.00 39.48 37.87 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 -0.50 0.00 0.00 -4.37 0.24 -1.22 -4.66 118.33 107.83 2ejm n VAL 30 Ca 0.52 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2ejm n VAL 30 Cb 0.27 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 -0.29 -1.36 -2.56 7.34 -0.00 -1.26 -5.08 118.16 114.95 2ejm n LYS 31 Ca -0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.92 2ejm n LYS 31 Cb 0.30 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.29 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 3.23 -1.66 0.58 0.00 -1.25 -3.02 121.76 117.64 2ejm s ALA 32 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2ejm s ALA 32 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2ejm s ALA 32 CO 0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2ejm n GLY 33 N 0.75 0.82 3.99 0.00 0.00 0.30 -4.98 105.19 106.07 2ejm n GLY 33 Ca 0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.57 5.04 -0.07 1.61 2.15 -1.17 -4.91 116.67 116.75 2ejm s ASP 34 Ca 0.00 -0.30 0.03 0.00 0.43 0.00 0.00 52.55 52.72 2ejm s ASP 34 Cb 0.00 -0.42 0.01 0.00 -0.30 0.00 0.00 42.92 42.21 2ejm s ASP 34 CO 0.00 -1.33 -0.17 -0.54 -0.17 0.00 0.00 175.17 172.97 2ejm s LYS 35 N -4.80 2.11 0.23 4.34 -0.14 -1.26 -2.33 119.74 117.89 2ejm s LYS 35 Ca 0.60 -0.58 0.05 0.00 -1.36 0.00 0.00 55.97 54.68 2ejm s LYS 35 Cb -0.08 -1.69 -0.05 0.00 -1.68 0.00 0.00 37.83 34.33 2ejm s LYS 35 CO 0.39 0.11 -0.05 0.14 -0.76 0.00 0.00 175.35 175.19 2ejm s VAL 36 N 0.46 1.31 -0.06 3.17 -7.23 -1.01 -5.00 120.40 112.04 2ejm s VAL 36 Ca -0.14 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 57.99 2ejm s VAL 36 Cb -0.16 -2.27 -0.00 0.00 0.56 0.00 0.00 36.38 34.51 2ejm s VAL 36 CO 0.05 -0.41 -0.20 -0.54 -0.31 0.00 0.00 175.10 173.69 2ejm s LYS 37 N -3.78 2.17 -0.50 4.82 1.02 -1.26 -3.40 119.74 118.81 2ejm s LYS 37 Ca 0.26 -0.70 -0.45 0.00 0.02 0.00 0.00 55.97 55.11 2ejm s LYS 37 Cb 0.04 -1.80 -0.19 0.00 -0.52 0.00 0.00 37.83 35.35 2ejm s LYS 37 CO 0.08 0.24 1.96 0.00 -0.92 0.00 0.00 175.35 176.71 2ejm n ALA 38 N 3.25 -0.28 -0.48 5.17 0.00 -1.26 -0.99 120.51 125.91 2ejm n ALA 38 Ca -0.19 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2ejm n ALA 38 Cb 0.53 -2.03 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 6.34 1.03 3.57 0.00 0.00 -0.91 -4.93 105.19 110.29 2ejm n GLY 39 Ca 0.47 -0.14 -0.32 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 -2.20 4.49 -1.14 1.61 1.11 -0.16 -4.79 116.67 115.59 2ejm s ASP 40 Ca 0.00 -0.21 -0.22 0.00 0.18 0.00 0.00 52.55 52.30 2ejm s ASP 40 Cb 0.00 -0.99 -0.01 0.00 1.07 0.00 0.00 42.92 43.00 2ejm s ASP 40 CO 0.00 0.27 1.79 -0.94 1.18 0.00 0.00 175.17 177.46 2ejm s SER 41 N -1.52 5.88 0.02 0.27 1.04 -1.26 -0.75 113.70 117.38 2ejm s SER 41 Ca 0.17 -1.68 -0.09 0.00 0.48 0.00 0.00 55.95 54.83 2ejm s SER 41 Cb -0.11 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.38 2ejm s SER 41 CO 0.08 -2.14 1.14 -0.07 0.98 0.00 0.00 173.24 173.24 2ejm h LEU 42 N 15.25 -0.33 -8.81 2.42 3.38 -1.73 -3.39 115.31 122.09 2ejm h LEU 42 Ca 0.26 0.02 -0.40 0.00 0.09 0.00 0.00 57.88 57.86 2ejm h LEU 42 Cb 0.94 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 2ejm h LEU 42 CO 1.33 -0.19 -0.53 -0.04 0.09 0.00 0.00 178.44 179.10 2ejm s MET 43 N -3.74 1.58 -0.07 1.13 -1.94 -1.24 0.12 119.30 115.14 2ejm s MET 43 Ca -0.05 -1.89 0.02 0.00 -1.71 0.00 0.00 55.69 52.06 2ejm s MET 43 Cb 0.01 0.29 0.01 0.00 2.01 0.00 0.00 34.83 37.15 2ejm s MET 43 CO 0.15 -0.56 -0.13 0.08 -0.01 0.00 0.00 175.02 174.56 2ejm s VAL 44 N -3.68 1.18 0.40 -6.03 1.01 0.25 -2.19 120.40 111.35 2ejm s VAL 44 Ca 0.40 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.96 2ejm s VAL 44 Cb 0.04 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2ejm s VAL 44 CO 0.22 0.37 0.19 -0.04 0.00 0.00 0.00 175.10 175.84 2ejm s MET 45 N 0.71 2.27 -0.31 2.72 -1.94 -1.07 0.18 119.30 121.87 2ejm s MET 45 Ca -0.14 -1.76 -0.00 0.00 -1.71 0.00 0.00 55.69 52.08 2ejm s MET 45 Cb -0.16 -2.05 0.10 0.00 2.01 0.00 0.00 34.83 34.73 2ejm s MET 45 CO 0.03 -0.08 0.08 0.42 -0.01 0.00 0.00 175.02 175.47 2ejm s ILE 46 N -2.56 1.06 0.26 2.53 -1.09 0.24 -2.54 121.20 119.10 2ejm s ILE 46 Ca 0.41 -1.48 0.02 0.00 -2.23 0.00 0.00 60.65 57.37 2ejm s ILE 46 Cb 0.02 -1.78 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 2ejm s ILE 46 CO 0.23 -0.63 0.07 0.00 -1.23 0.00 0.00 174.94 173.38 2ejm s ALA 47 N 1.53 1.82 -0.59 9.38 0.00 -0.96 -2.10 121.76 130.84 2ejm s ALA 47 Ca 0.09 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2ejm s ALA 47 Cb -0.17 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2ejm s ALA 47 CO -0.22 -0.39 0.00 -1.33 0.00 0.00 0.00 175.76 173.82 2ejm n MET 48 N -0.48 -1.76 -2.84 0.00 2.81 -1.26 0.19 117.12 113.78 2ejm n MET 48 Ca -0.02 0.33 -0.21 0.00 -1.81 0.00 0.00 57.70 56.00 2ejm n MET 48 Cb 0.66 -4.63 0.02 0.00 -0.71 0.00 0.00 33.22 28.56 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 -1.93 -3.94 -4.16 0.03 4.76 -1.26 -4.97 118.16 106.69 2ejm n LYS 49 Ca -0.07 0.88 -0.11 0.00 -2.87 0.00 0.00 58.31 56.14 2ejm n LYS 49 Cb 0.35 -5.58 -0.09 0.00 -1.84 0.00 0.00 35.03 27.86 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 -5.48 1.25 -0.04 1.97 -1.94 0.52 -5.15 119.30 110.42 2ejm s MET 50 Ca 0.22 -1.55 -0.13 0.00 -1.71 0.00 0.00 55.69 52.51 2ejm s MET 50 Cb -0.10 0.30 -0.05 0.00 2.01 0.00 0.00 34.83 37.00 2ejm s MET 50 CO 0.27 -0.43 0.35 -1.21 -0.01 0.00 0.00 175.02 174.00 2ejm s GLU 51 N -4.13 3.89 0.04 2.03 8.01 -1.26 -2.27 118.70 125.01 2ejm s GLU 51 Ca 0.35 0.29 0.03 0.00 0.01 0.00 0.00 54.97 55.65 2ejm s GLU 51 Cb 0.06 -3.25 -0.02 0.00 -4.31 0.00 0.00 34.13 26.61 2ejm s GLU 51 CO 0.11 0.64 -0.10 -1.01 0.01 0.00 0.00 175.26 174.91 2ejm s HIS 52 N -0.84 0.83 -0.32 1.61 3.76 -1.05 -4.98 115.29 114.29 2ejm s HIS 52 Ca 0.22 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 2ejm s HIS 52 Cb -0.15 -0.49 0.08 0.00 1.11 0.00 0.00 32.58 33.13 2ejm s HIS 52 CO 0.11 -0.03 0.02 0.99 -0.85 0.00 0.00 174.74 174.98 2ejm s THR 53 N -1.12 2.54 -0.78 1.30 2.01 -1.26 -2.58 115.64 115.75 2ejm s THR 53 Ca -0.05 -1.94 -0.26 0.00 0.31 0.00 0.00 61.69 59.75 2ejm s THR 53 Cb -0.09 -2.68 -0.00 0.00 0.01 0.00 0.00 72.50 69.74 2ejm s THR 53 CO 0.01 -0.37 1.66 -0.63 -0.69 0.00 0.00 174.62 174.59 2ejm s ILE 54 N 1.06 3.57 0.43 1.82 1.09 -0.93 -4.96 121.20 123.27 2ejm s ILE 54 Ca 0.02 -0.03 -0.21 0.00 -1.10 0.00 0.00 60.65 59.33 2ejm s ILE 54 Cb -0.20 -4.40 -0.11 0.00 -1.06 0.00 0.00 42.46 36.69 2ejm s ILE 54 CO -0.05 -1.34 0.96 -0.54 -0.10 0.00 0.00 174.94 173.86 2ejm s LYS 55 N 6.35 4.20 0.27 2.79 -0.14 -1.26 -2.31 119.74 129.64 2ejm s LYS 55 Ca 0.56 1.16 -0.29 0.00 -1.36 0.00 0.00 55.97 56.03 2ejm s LYS 55 Cb -0.08 -2.20 -0.10 0.00 -1.68 0.00 0.00 37.83 33.77 2ejm s LYS 55 CO 0.09 -0.06 1.31 0.45 -0.76 0.00 0.00 175.35 176.38 2ejm s SER 56 N -2.12 6.84 0.33 2.83 0.15 0.07 -4.85 113.70 116.94 2ejm s SER 56 Ca 0.62 2.56 0.17 0.00 0.70 0.00 0.00 55.95 59.99 2ejm s SER 56 Cb -0.10 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 62.00 2ejm s SER 56 CO 0.14 -0.52 1.61 1.55 1.20 0.00 0.00 173.24 177.23 2ejm h PRO 57 N 4.28 0.00 -2.44 5.44 0.13 -1.94 -2.42 132.00 135.06 2ejm h PRO 57 Ca -0.47 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.79 2ejm h PRO 57 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 2ejm h PRO 57 CO 0.71 0.47 0.44 -1.59 -0.23 0.00 0.00 178.00 177.80 2ejm s LYS 58 N -3.36 1.14 0.31 0.86 -2.85 -1.26 -4.84 119.74 109.75 2ejm s LYS 58 Ca 0.01 -0.57 -0.27 0.00 -1.00 0.00 0.00 55.97 54.15 2ejm s LYS 58 Cb 0.10 0.43 -0.10 0.00 -2.06 0.00 0.00 37.83 36.21 2ejm s LYS 58 CO 0.72 -0.52 0.96 0.16 0.10 0.00 0.00 175.35 176.77 2ejm s ASP 59 N -2.78 7.34 0.00 0.03 1.47 -1.26 -4.26 116.67 117.21 2ejm s ASP 59 Ca 0.09 1.88 0.00 0.00 1.18 0.00 0.00 52.55 55.70 2ejm s ASP 59 Cb -0.02 -2.59 0.00 0.00 -0.34 0.00 0.00 42.92 39.98 2ejm s ASP 59 CO -0.02 -0.07 0.00 0.61 0.68 0.00 0.00 175.17 176.37 2ejm n GLY 60 N 0.71 0.42 3.09 2.12 0.00 -1.22 -4.91 105.19 105.40 2ejm n GLY 60 Ca 0.01 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 2.98 -0.87 2.61 2.01 -1.26 -2.42 115.64 116.69 2ejm s THR 61 Ca 0.00 -2.10 -0.30 0.00 0.31 0.00 0.00 61.69 59.59 2ejm s THR 61 Cb 0.00 -3.06 -0.19 0.00 0.01 0.00 0.00 72.50 69.26 2ejm s THR 61 CO 0.00 -0.63 2.62 0.52 -0.69 0.00 0.00 174.62 176.44 2ejm n VAL 62 N 4.50 -0.02 0.41 3.82 0.31 -0.98 -2.01 118.33 124.36 2ejm n VAL 62 Ca -0.01 -0.17 -0.17 0.00 -0.01 0.00 0.00 64.34 63.98 2ejm n VAL 62 Cb 0.42 -0.99 -0.09 0.00 -0.91 0.00 0.00 33.84 32.27 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 13.50 -1.06 -2.16 5.55 3.64 0.85 0.86 116.57 137.74 2ejm h LYS 63 Ca -0.09 0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2ejm h LYS 63 Cb 1.30 0.24 -0.20 0.00 -0.41 0.00 0.00 32.23 33.17 2ejm h LYS 63 CO 1.33 -0.71 0.09 0.21 -2.27 0.00 0.00 179.45 178.10 2ejm s LYS 64 N -5.54 0.91 0.04 1.90 2.36 -1.12 -3.42 119.74 114.86 2ejm s LYS 64 Ca -0.17 0.45 -0.09 0.00 -2.55 0.00 0.00 55.97 53.62 2ejm s LYS 64 Cb 0.02 0.43 -0.05 0.00 -1.05 0.00 0.00 37.83 37.18 2ejm s LYS 64 CO 0.52 -0.23 0.34 0.08 1.55 0.00 0.00 175.35 177.61 2ejm s VAL 65 N -0.64 5.18 -0.20 4.02 1.01 -1.26 -1.59 120.40 126.92 2ejm s VAL 65 Ca -0.07 0.37 0.15 0.00 0.00 0.00 0.00 61.98 62.44 2ejm s VAL 65 Cb -0.02 -3.61 -0.23 0.00 0.00 0.00 0.00 36.38 32.51 2ejm s VAL 65 CO 0.06 0.36 0.03 0.49 0.00 0.00 0.00 175.10 176.04 2ejm n PHE 66 N 1.12 0.00 -5.05 5.22 3.72 0.10 -4.96 117.46 117.61 2ejm n PHE 66 Ca -0.10 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.98 2ejm n PHE 66 Cb 0.53 -0.97 -0.14 0.00 -0.94 0.00 0.00 39.48 37.95 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 -2.48 2.50 0.22 1.38 1.51 -1.21 -5.09 117.35 114.19 2ejm s TYR 67 Ca -0.13 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 2ejm s TYR 67 Cb 0.06 -1.54 -0.00 0.00 -0.11 0.00 0.00 41.96 40.37 2ejm s TYR 67 CO 0.78 0.09 0.01 0.54 -1.11 0.00 0.00 175.55 175.86 2ejm n ARG 68 N 2.24 1.36 -1.71 -0.62 5.12 -1.26 -4.99 116.66 116.80 2ejm n ARG 68 Ca -0.17 -1.66 -0.43 0.00 -1.93 0.00 0.00 57.85 53.67 2ejm n ARG 68 Cb 0.52 0.50 -0.01 0.00 -1.16 0.00 0.00 32.46 32.30 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 -0.55 2.25 -3.35 5.56 1.02 -1.26 -2.33 120.64 121.97 2ejm n GLU 69 Ca -0.09 0.80 -0.17 0.00 -0.02 0.00 0.00 57.16 57.68 2ejm n GLU 69 Cb 0.29 -2.45 0.08 0.00 -0.02 0.00 0.00 31.44 29.34 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 1.32 -0.32 3.44 0.62 0.00 0.11 -4.96 105.19 105.41 2ejm n GLY 70 Ca 0.07 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 2.56 -0.38 4.61 0.00 -0.99 -4.86 121.76 119.38 2ejm s ALA 71 Ca 0.16 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 2ejm s ALA 71 Cb -0.07 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.38 2ejm s ALA 71 CO 0.66 0.57 0.59 -1.14 0.00 0.00 0.00 175.76 176.44 2ejm s GLN 72 N -1.55 3.52 0.32 0.00 0.74 -1.26 -0.99 119.66 120.43 2ejm s GLN 72 Ca 0.15 -0.17 0.07 0.00 0.05 0.00 0.00 55.36 55.46 2ejm s GLN 72 Cb -0.10 -3.86 -0.02 0.00 1.10 0.00 0.00 33.01 30.13 2ejm s GLN 72 CO 0.06 -0.79 0.34 0.00 -0.55 0.00 0.00 175.29 174.35 2ejm s ALA 73 N 2.62 3.95 0.39 1.58 0.00 -0.42 -5.02 121.76 124.87 2ejm s ALA 73 Ca 0.22 -1.55 0.08 0.00 0.00 0.00 0.00 51.96 50.71 2ejm s ALA 73 Cb -0.15 -1.38 -0.07 0.00 0.00 0.00 0.00 23.12 21.53 2ejm s ALA 73 CO 0.16 0.03 0.04 -0.80 0.00 0.00 0.00 175.76 175.18 2ejm s ASN 74 N -4.04 4.04 -0.11 0.00 -0.87 -1.26 -3.01 114.94 109.69 2ejm s ASN 74 Ca 0.41 -1.22 -0.29 0.00 -1.57 0.00 0.00 52.86 50.19 2ejm s ASN 74 Cb -0.07 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.25 40.67 2ejm s ASN 74 CO 0.28 -0.41 1.80 -0.60 -2.57 0.00 0.00 177.10 175.60 2ejm s ARG 75 N -3.75 3.89 -0.47 -0.60 6.06 -1.26 -3.26 118.95 119.57 2ejm s ARG 75 Ca 0.36 2.11 -0.01 0.00 -2.50 0.00 0.00 55.73 55.69 2ejm s ARG 75 Cb 0.06 -4.10 0.00 0.00 0.06 0.00 0.00 34.95 30.97 2ejm s ARG 75 CO 0.19 -1.20 0.45 0.72 -2.50 0.00 0.00 175.30 172.96 2ejm n HIS 76 N 8.32 -1.98 -4.24 5.12 8.25 -1.00 -4.94 115.22 124.75 2ejm n HIS 76 Ca 0.20 0.76 -0.19 0.00 -0.26 0.00 0.00 57.72 58.23 2ejm n HIS 76 Cb 0.43 -3.21 -0.11 0.00 1.12 0.00 0.00 29.99 28.22 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 -2.93 1.38 -0.45 1.59 -4.23 -1.20 -4.80 115.64 104.99 2ejm s THR 77 Ca 0.01 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 58.59 2ejm s THR 77 Cb -0.00 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.36 2ejm s THR 77 CO 0.49 -0.34 1.43 -2.16 -0.54 0.00 0.00 174.62 173.51 2ejm s PRO 78 N -2.44 3.47 -0.11 3.99 0.04 -1.26 -0.80 135.00 137.89 2ejm s PRO 78 Ca 0.07 0.82 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 2ejm s PRO 78 Cb -0.06 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.40 2ejm s PRO 78 CO 0.03 -1.70 -0.03 -0.07 0.04 0.00 0.00 177.00 175.27 2ejm h LEU 79 N 12.58 0.00 -9.03 -3.56 3.38 -1.90 -3.43 115.31 113.35 2ejm h LEU 79 Ca -0.27 -0.03 -0.51 0.00 0.09 0.00 0.00 57.88 57.16 2ejm h LEU 79 Cb 1.11 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 2ejm h LEU 79 CO 1.11 0.60 -0.73 0.68 0.09 0.00 0.00 178.44 180.18 2ejm s VAL 80 N -1.78 1.97 -0.14 1.22 -7.23 -1.26 -0.72 120.40 112.45 2ejm s VAL 80 Ca -0.05 -2.26 0.01 0.00 -1.81 0.00 0.00 61.98 57.86 2ejm s VAL 80 Cb 0.01 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.79 2ejm s VAL 80 CO 0.09 -0.50 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.52 2ejm s GLU 81 N -3.61 2.44 0.53 4.82 2.12 -0.62 -3.86 118.70 120.52 2ejm s GLU 81 Ca 0.26 -0.62 -0.17 0.00 0.36 0.00 0.00 54.97 54.79 2ejm s GLU 81 Cb -0.02 -2.16 -0.07 0.00 0.26 0.00 0.00 34.13 32.15 2ejm s GLU 81 CO 0.10 -0.18 1.01 -0.06 -0.54 0.00 0.00 175.26 175.59 2ejm s PHE 82 N 1.31 3.25 0.91 5.30 0.08 -1.26 0.13 117.98 127.70 2ejm s PHE 82 Ca 0.02 1.51 -0.12 0.00 0.12 0.00 0.00 56.93 58.46 2ejm s PHE 82 Cb -0.13 -2.89 0.14 0.00 -0.57 0.00 0.00 43.02 39.56 2ejm s PHE 82 CO -0.09 -0.61 1.09 -1.21 -0.10 0.00 0.00 175.22 174.30 2ejm s GLU 83 N -3.88 1.16 0.16 0.44 0.41 -0.85 -4.60 118.70 111.53 2ejm s GLU 83 Ca 0.62 0.85 -0.31 0.00 -0.41 0.00 0.00 54.97 55.72 2ejm s GLU 83 Cb -0.12 -1.80 -0.09 0.00 -1.78 0.00 0.00 34.13 30.34 2ejm s GLU 83 CO 0.30 -2.31 1.45 -1.83 -0.49 0.00 0.00 175.26 172.37 2ejm s GLU 84 N -4.90 4.29 0.70 1.61 -1.05 -1.26 -4.89 118.70 113.20 2ejm s GLU 84 Ca 0.64 2.20 -0.17 0.00 -0.15 0.00 0.00 54.97 57.49 2ejm s GLU 84 Cb -0.18 -3.19 -0.10 0.00 -0.44 0.00 0.00 34.13 30.22 2ejm s GLU 84 CO 0.57 -0.47 0.06 0.39 0.95 0.00 0.00 175.26 176.76 2ejm n GLU 85 N 3.57 0.14 0.03 -4.83 1.02 -1.26 -4.93 120.64 114.39 2ejm n GLU 85 Ca 0.11 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2ejm n GLU 85 Cb 0.41 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2ejm n GLU 85 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2ejm n GLU 86 N 0.61 0.00 -3.80 3.49 2.13 -1.26 -5.03 120.64 116.78 2ejm n GLU 86 Ca 0.07 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.59 2ejm n GLU 86 Cb 0.50 -0.02 -0.14 0.00 0.27 0.00 0.00 31.44 32.05 2ejm n GLU 86 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2ejm s SER 87 N -5.01 4.06 -0.49 4.31 0.15 -1.26 -5.05 113.70 110.42 2ejm s SER 87 Ca 0.00 -2.22 0.00 0.00 0.70 0.00 0.00 55.95 54.43 2ejm s SER 87 Cb 0.00 -1.14 0.13 0.00 -1.71 0.00 0.00 66.02 63.29 2ejm s SER 87 CO 0.00 -0.34 0.26 -0.62 1.20 0.00 0.00 173.24 173.74 2ejm s ASP 88 N 0.85 4.94 -0.98 5.45 2.15 -1.26 -5.00 116.67 122.82 2ejm s ASP 88 Ca 0.13 -2.54 -0.03 0.00 0.43 0.00 0.00 52.55 50.54 2ejm s ASP 88 Cb -0.21 -1.75 0.26 0.00 -0.30 0.00 0.00 42.92 40.92 2ejm s ASP 88 CO -0.10 -0.39 1.06 1.17 -0.17 0.00 0.00 175.17 176.74 2ejm n LYS 89 N 3.84 3.38 -1.51 4.34 4.81 -1.26 -5.04 118.16 126.71 2ejm n LYS 89 Ca 0.04 -4.52 -0.54 0.00 -0.87 0.00 0.00 58.31 52.42 2ejm n LYS 89 Cb 0.38 -2.46 -0.06 0.00 0.02 0.00 0.00 35.03 32.91 2ejm n LYS 89 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2ejm n ARG 90 N 1.95 0.41 -3.35 1.64 1.74 -1.26 -4.92 116.66 112.87 2ejm n ARG 90 Ca 0.25 0.15 -0.32 0.00 -0.77 0.00 0.00 57.85 57.15 2ejm n ARG 90 Cb 0.37 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 30.17 2ejm n ARG 90 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2ejm s GLU 91 N -0.16 3.85 -0.10 5.56 2.56 -1.26 -5.08 118.70 124.07 2ejm s GLU 91 Ca 0.82 0.37 0.02 0.00 0.00 0.00 0.00 54.97 56.18 2ejm s GLU 91 Cb -1.08 -2.60 -0.01 0.00 2.00 0.00 0.00 34.13 32.43 2ejm s GLU 91 CO 0.54 0.28 -0.17 -1.12 -0.56 0.00 0.00 175.26 174.24 2ejm s SER 92 N -2.33 3.74 -0.03 -1.70 0.01 -1.26 -5.11 113.70 107.02 2ejm s SER 92 Ca 0.49 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.37 2ejm s SER 92 Cb -0.11 -1.33 0.03 0.00 0.21 0.00 0.00 66.02 64.82 2ejm s SER 92 CO 0.20 0.21 0.05 -0.70 0.41 0.00 0.00 173.24 173.41 2ejm s GLU 93 N 0.08 -0.04 0.25 12.44 2.12 -1.26 -5.15 118.70 127.13 2ejm s GLU 93 Ca -0.07 0.28 0.08 0.00 0.36 0.00 0.00 54.97 55.63 2ejm s GLU 93 Cb -0.15 -0.34 -0.05 0.00 0.26 0.00 0.00 34.13 33.85 2ejm s GLU 93 CO 0.05 -0.23 -0.13 -1.12 -0.54 0.00 0.00 175.26 173.29 2ejm s SER 94 N 1.51 2.88 0.00 -1.70 0.01 -1.26 -5.08 113.70 110.06 2ejm s SER 94 Ca -0.04 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2ejm s SER 94 Cb -0.13 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2ejm s SER 94 CO -0.03 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2ejm n GLY 95 N -0.50 0.23 3.77 3.44 0.00 -1.26 -5.17 105.19 105.70 2ejm n GLY 95 Ca -0.07 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.17 -0.29 1.61 0.04 -1.26 -5.10 135.00 130.17 2ejm s PRO 96 Ca 0.00 -0.07 -0.18 0.00 0.04 0.00 0.00 61.00 60.79 2ejm s PRO 96 Cb 0.00 -1.76 0.18 0.00 0.04 0.00 0.00 34.50 32.96 2ejm s PRO 96 CO 0.00 -2.78 1.18 -1.54 0.04 0.00 0.00 177.00 173.90 2ejm s SER 97 N -4.28 -0.23 0.17 6.66 1.04 -1.26 -5.18 113.70 110.62 2ejm s SER 97 Ca 0.70 0.38 0.03 0.00 0.48 0.00 0.00 55.95 57.53 2ejm s SER 97 Cb -0.09 0.93 -0.05 0.00 0.10 0.00 0.00 66.02 66.91 2ejm s SER 97 CO 0.54 -0.06 -0.04 -0.44 0.98 0.00 0.00 173.24 174.22 2ejm s SER 98 N 0.92 1.54 0.00 7.02 0.01 -1.26 -5.37 113.70 116.55 2ejm s SER 98 Ca -0.05 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.09 2ejm s SER 98 Cb -0.03 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2ejm s SER 98 CO -0.12 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.67