#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ejm n SER 2 N 0.00 -7.83 -3.90 1.61 2.88 -1.26 -5.06 113.62 100.07 2ejm n SER 2 Ca 0.00 0.75 -0.11 0.00 -1.33 0.00 0.00 58.87 58.18 2ejm n SER 2 Cb 0.00 -5.28 -0.11 0.00 -0.75 0.00 0.00 64.21 58.07 2ejm n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ejm s SER 3 N -2.32 0.06 0.51 -3.46 0.15 -1.26 -5.13 113.70 102.24 2ejm s SER 3 Ca 0.18 -0.18 -0.18 0.00 0.70 0.00 0.00 55.95 56.47 2ejm s SER 3 Cb -0.05 0.16 -0.15 0.00 -1.71 0.00 0.00 66.02 64.28 2ejm s SER 3 CO 0.75 -0.24 -0.08 0.61 1.20 0.00 0.00 173.24 175.48 2ejm n GLY 4 N 1.98 -3.10 3.13 9.45 0.00 -1.26 -4.99 105.19 110.40 2ejm n GLY 4 Ca -0.20 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 2ejm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ejm s SER 5 N -1.01 1.37 -0.50 1.61 1.04 -1.26 -5.10 113.70 109.85 2ejm s SER 5 Ca 0.58 -0.57 -0.29 0.00 0.48 0.00 0.00 55.95 56.15 2ejm s SER 5 Cb -0.50 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 65.63 2ejm s SER 5 CO 0.65 -0.11 1.18 -0.94 0.98 0.00 0.00 173.24 175.01 2ejm s SER 6 N -1.61 6.56 -0.30 7.02 1.04 -1.26 -4.99 113.70 120.16 2ejm s SER 6 Ca -0.04 0.42 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 2ejm s SER 6 Cb -0.10 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.45 2ejm s SER 6 CO 0.02 -1.33 0.16 -0.83 0.98 0.00 0.00 173.24 172.24 2ejm s GLY 7 N 2.74 1.88 0.32 7.32 0.00 -1.26 -5.07 107.32 113.25 2ejm s GLY 7 Ca 0.48 -1.28 0.05 0.00 0.00 0.00 0.00 44.72 43.98 2ejm s GLY 7 CO 0.31 0.67 0.02 -1.34 0.00 0.00 0.00 173.10 172.76 2ejm s VAL 8 N 1.66 1.42 -0.31 1.40 -7.23 -1.26 -5.13 120.40 110.95 2ejm s VAL 8 Ca 0.06 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 2ejm s VAL 8 Cb -0.17 -2.72 0.09 0.00 0.56 0.00 0.00 36.38 34.14 2ejm s VAL 8 CO 0.07 -0.09 0.03 -0.94 -0.31 0.00 0.00 175.10 173.87 2ejm s SER 9 N -3.50 4.49 -0.18 4.85 1.04 -1.26 -5.09 113.70 114.04 2ejm s SER 9 Ca 0.34 -1.86 -0.06 0.00 0.48 0.00 0.00 55.95 54.85 2ejm s SER 9 Cb 0.08 -1.42 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 2ejm s SER 9 CO 0.15 -0.35 0.02 -0.44 0.98 0.00 0.00 173.24 173.60 2ejm s SER 10 N 1.12 5.19 1.01 7.02 0.01 -1.26 -5.08 113.70 121.71 2ejm s SER 10 Ca 0.07 -0.06 -0.19 0.00 1.31 0.00 0.00 55.95 57.08 2ejm s SER 10 Cb -0.19 -1.88 -0.07 0.00 0.21 0.00 0.00 66.02 64.09 2ejm s SER 10 CO -0.11 0.14 -0.58 1.67 0.41 0.00 0.00 173.24 174.77 2ejm n GLN 11 N 3.77 -0.35 -2.63 12.44 7.27 -1.26 -4.45 117.38 132.17 2ejm n GLN 11 Ca -0.17 -0.09 -0.04 0.00 0.07 0.00 0.00 57.00 56.77 2ejm n GLN 11 Cb 0.52 -1.32 -0.03 0.00 2.41 0.00 0.00 30.24 31.82 2ejm n GLN 11 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2ejm n GLU 12 N 0.74 -4.01 0.07 3.69 -0.58 -1.26 -5.03 120.64 114.26 2ejm n GLU 12 Ca 0.00 3.04 0.00 0.00 -0.42 0.00 0.00 57.16 59.78 2ejm n GLU 12 Cb 0.62 -4.16 0.00 0.00 -0.57 0.00 0.00 31.44 27.32 2ejm n GLU 12 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2ejm n THR 13 N 1.90 0.95 -1.22 2.62 -1.04 -1.26 -4.83 114.28 111.40 2ejm n THR 13 Ca -0.28 0.31 -0.33 0.00 -2.04 0.00 0.00 64.05 61.71 2ejm n THR 13 Cb 0.44 -1.35 -0.06 0.00 -1.82 0.00 0.00 70.33 67.54 2ejm n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ejm n GLN 14 N -3.48 3.29 0.00 -2.82 10.64 -1.26 -4.38 117.38 119.37 2ejm n GLN 14 Ca 0.00 -1.93 0.00 0.00 -1.83 0.00 0.00 57.00 53.24 2ejm n GLN 14 Cb 0.01 -2.63 0.00 0.00 -0.86 0.00 0.00 30.24 26.77 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 3.38 -0.47 0.00 2.61 0.00 -1.26 -5.07 105.19 104.38 2ejm n GLY 15 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 1.63 1.71 3.82 -0.02 0.00 -1.18 -4.70 105.19 106.45 2ejm n GLY 16 Ca 0.00 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 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 3.28 2.67 -0.06 1.61 0.04 -1.25 -4.96 135.00 136.33 2ejm s PRO 17 Ca 0.00 0.85 0.05 0.00 0.04 0.00 0.00 61.00 61.95 2ejm s PRO 17 Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2ejm s PRO 17 CO 0.00 -1.26 -0.23 -0.51 0.04 0.00 0.00 177.00 175.04 2ejm s LEU 18 N -5.62 2.20 0.43 -3.56 1.43 -1.26 -3.02 118.68 109.28 2ejm s LEU 18 Ca 0.59 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.99 2ejm s LEU 18 Cb -0.14 -1.41 -0.10 0.00 0.03 0.00 0.00 46.19 44.56 2ejm s LEU 18 CO 0.55 0.25 0.99 0.00 0.23 0.00 0.00 176.35 178.36 2ejm n ALA 19 N 2.92 0.11 -0.03 4.21 0.00 -0.26 -4.79 120.51 122.67 2ejm n ALA 19 Ca -0.17 0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 2ejm n ALA 19 Cb 0.52 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.79 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 1.45 0.11 -3.51 0.00 0.13 -1.93 -2.54 132.00 125.72 2ejm h PRO 20 Ca -0.44 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 2ejm h PRO 20 Cb 1.34 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.42 2ejm h PRO 20 CO 0.56 0.83 -0.03 0.00 -0.23 0.00 0.00 178.00 179.14 2ejm s MET 21 N -3.25 1.65 -0.23 0.86 0.23 -1.26 -4.60 119.30 112.71 2ejm s MET 21 Ca -0.16 -1.23 -0.29 0.00 -1.03 0.00 0.00 55.69 52.97 2ejm s MET 21 Cb 0.00 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.78 2ejm s MET 21 CO 0.72 -0.71 1.70 0.99 -2.03 0.00 0.00 175.02 175.69 2ejm s THR 22 N -3.86 3.58 0.00 3.16 2.01 -1.26 -4.57 115.64 114.69 2ejm s THR 22 Ca 0.20 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.84 2ejm s THR 22 Cb -0.02 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2ejm s THR 22 CO 0.09 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 2ejm n GLY 23 N 4.87 3.78 3.22 4.40 0.00 -1.24 -4.55 105.19 115.68 2ejm n GLY 23 Ca 0.20 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.26 1.62 -0.48 2.61 2.01 0.21 -3.06 115.64 116.29 2ejm s THR 24 Ca 0.00 -0.95 -0.28 0.00 0.31 0.00 0.00 61.69 60.77 2ejm s THR 24 Cb 0.00 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.15 2ejm s THR 24 CO 0.00 0.39 1.46 -0.63 -0.69 0.00 0.00 174.62 175.16 2ejm s ILE 25 N -0.56 3.80 -0.13 1.82 -1.09 0.18 0.67 121.20 125.89 2ejm s ILE 25 Ca 0.08 0.75 -0.24 0.00 -2.23 0.00 0.00 60.65 59.02 2ejm s ILE 25 Cb -0.08 -4.24 -0.21 0.00 -1.58 0.00 0.00 42.46 36.35 2ejm s ILE 25 CO -0.00 -0.90 0.65 -0.08 -1.23 0.00 0.00 174.94 173.37 2ejm h GLU 26 N 11.23 -0.01 -4.99 2.79 4.22 0.91 1.09 114.58 129.82 2ejm h GLU 26 Ca -0.28 0.00 -0.40 0.00 0.08 0.00 0.00 59.36 58.76 2ejm h GLU 26 Cb 1.11 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 2ejm h GLU 26 CO 1.13 0.79 -0.60 0.15 -2.18 0.00 0.00 179.01 178.29 2ejm s LYS 27 N -2.18 1.53 -0.27 1.92 -0.14 -1.00 -4.63 119.74 114.97 2ejm s LYS 27 Ca -0.15 -1.84 -0.00 0.00 -1.36 0.00 0.00 55.97 52.61 2ejm s LYS 27 Cb -0.02 -0.44 0.14 0.00 -1.68 0.00 0.00 37.83 35.83 2ejm s LYS 27 CO 0.56 -0.29 0.35 0.08 -0.76 0.00 0.00 175.35 175.29 2ejm s VAL 28 N -3.58 -0.52 -0.78 3.17 1.01 -1.26 -1.73 120.40 116.71 2ejm s VAL 28 Ca 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 2ejm s VAL 28 Cb 0.08 -0.92 0.38 0.00 0.00 0.00 0.00 36.38 35.91 2ejm s VAL 28 CO 0.15 -0.31 1.98 0.49 0.00 0.00 0.00 175.10 177.41 2ejm n PHE 29 N 5.34 3.06 -4.17 5.22 3.72 0.33 -4.93 117.46 126.02 2ejm n PHE 29 Ca -0.02 -2.53 -0.17 0.00 -0.05 0.00 0.00 57.45 54.68 2ejm n PHE 29 Cb 0.48 -1.20 -0.06 0.00 -0.94 0.00 0.00 39.48 37.77 2ejm n PHE 29 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2ejm s VAL 30 N -5.03 0.00 0.00 -4.37 -7.23 -1.22 -4.67 120.40 97.88 2ejm s VAL 30 Ca 0.55 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2ejm s VAL 30 Cb 0.46 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.79 2ejm s VAL 30 CO -0.30 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 176.78 2ejm n LYS 31 N -0.61 0.00 -2.09 4.82 -0.00 -1.26 -5.08 118.16 113.95 2ejm n LYS 31 Ca 0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.96 2ejm n LYS 31 Cb 0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.65 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 3.12 -1.94 0.58 0.00 -1.26 -2.25 121.76 118.01 2ejm s ALA 32 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2ejm s ALA 32 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2ejm s ALA 32 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2ejm n GLY 33 N 0.63 0.71 3.98 0.00 0.00 0.41 -4.97 105.19 105.94 2ejm n GLY 33 Ca 0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.43 4.89 -0.06 1.61 2.15 -0.96 -4.89 116.67 116.98 2ejm s ASP 34 Ca 0.00 -0.17 0.03 0.00 0.43 0.00 0.00 52.55 52.85 2ejm s ASP 34 Cb 0.00 -0.50 0.01 0.00 -0.30 0.00 0.00 42.92 42.13 2ejm s ASP 34 CO 0.00 -1.45 -0.16 -0.54 -0.17 0.00 0.00 175.17 172.85 2ejm s LYS 35 N -4.92 1.95 0.12 4.34 -0.14 -1.26 -2.21 119.74 117.62 2ejm s LYS 35 Ca 0.61 -0.56 -0.01 0.00 -1.36 0.00 0.00 55.97 54.65 2ejm s LYS 35 Cb -0.08 -1.60 -0.04 0.00 -1.68 0.00 0.00 37.83 34.43 2ejm s LYS 35 CO 0.41 0.13 0.04 0.14 -0.76 0.00 0.00 175.35 175.31 2ejm s VAL 36 N 0.39 0.16 -0.00 3.17 -7.23 -1.00 -4.99 120.40 110.89 2ejm s VAL 36 Ca -0.12 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 2ejm s VAL 36 Cb -0.15 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 2ejm s VAL 36 CO 0.04 -0.55 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.63 2ejm s LYS 37 N -4.02 0.86 -0.50 4.82 1.02 -1.26 -2.59 119.74 118.08 2ejm s LYS 37 Ca 0.21 -0.41 -0.46 0.00 0.02 0.00 0.00 55.97 55.33 2ejm s LYS 37 Cb 0.07 -0.83 -0.20 0.00 -0.52 0.00 0.00 37.83 36.35 2ejm s LYS 37 CO 0.00 0.23 1.64 0.00 -0.92 0.00 0.00 175.35 176.30 2ejm n ALA 38 N 2.75 -1.21 0.00 5.17 0.00 -1.26 0.12 120.51 126.08 2ejm n ALA 38 Ca -0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2ejm n ALA 38 Cb 0.56 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2ejm n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ejm n GLY 39 N 4.29 3.06 3.38 0.00 0.00 -0.89 -4.90 105.19 110.14 2ejm n GLY 39 Ca 0.33 -0.96 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 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 0.58 -1.58 -4.57 1.61 9.92 0.32 -3.97 116.55 118.86 2ejm n ASP 40 Ca 0.00 1.01 -0.41 0.00 -0.53 0.00 0.00 54.79 54.86 2ejm n ASP 40 Cb 0.00 -0.96 -0.03 0.00 -0.64 0.00 0.00 41.12 39.49 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 -0.97 6.11 -0.00 -2.24 1.04 -1.26 -1.68 113.70 114.70 2ejm s SER 41 Ca 0.62 0.24 -0.04 0.00 0.48 0.00 0.00 55.95 57.25 2ejm s SER 41 Cb -0.80 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 62.76 2ejm s SER 41 CO 0.59 -1.73 0.54 -0.07 0.98 0.00 0.00 173.24 173.55 2ejm h LEU 42 N 13.17 -0.12 -8.72 2.42 3.38 -1.74 -3.41 115.31 120.29 2ejm h LEU 42 Ca -0.27 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.35 2ejm h LEU 42 Cb 1.09 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 2ejm h LEU 42 CO 1.18 -0.03 -0.44 -0.04 0.09 0.00 0.00 178.44 179.21 2ejm s MET 43 N -2.34 1.65 -0.08 1.13 -1.94 -1.26 0.12 119.30 116.59 2ejm s MET 43 Ca -0.02 -1.83 0.04 0.00 -1.71 0.00 0.00 55.69 52.16 2ejm s MET 43 Cb 0.00 0.34 0.00 0.00 2.01 0.00 0.00 34.83 37.19 2ejm s MET 43 CO 0.06 -0.62 -0.19 0.08 -0.01 0.00 0.00 175.02 174.35 2ejm s VAL 44 N -3.56 1.61 0.40 -6.03 1.01 -0.70 -2.58 120.40 110.55 2ejm s VAL 44 Ca 0.37 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.66 2ejm s VAL 44 Cb 0.03 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 2ejm s VAL 44 CO 0.22 0.46 0.11 -0.04 0.00 0.00 0.00 175.10 175.85 2ejm s MET 45 N 0.39 2.15 -0.14 2.72 -1.94 -0.87 0.14 119.30 121.74 2ejm s MET 45 Ca -0.14 -1.88 -0.04 0.00 -1.71 0.00 0.00 55.69 51.92 2ejm s MET 45 Cb -0.16 -1.90 0.06 0.00 2.01 0.00 0.00 34.83 34.84 2ejm s MET 45 CO 0.06 -0.05 0.13 0.42 -0.01 0.00 0.00 175.02 175.57 2ejm s ILE 46 N -2.60 -0.19 0.00 2.53 1.01 0.21 -0.07 121.20 122.09 2ejm s ILE 46 Ca 0.39 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.10 2ejm s ILE 46 Cb 0.04 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 42.05 2ejm s ILE 46 CO 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 174.94 175.06 2ejm n ALA 47 N 5.30 1.26 -2.61 9.38 0.00 -1.21 0.65 120.51 133.28 2ejm n ALA 47 Ca -0.05 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 2ejm n ALA 47 Cb 0.49 0.00 0.01 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 -1.97 4.64 -2.28 0.00 -0.00 -1.26 -4.69 117.12 111.56 2ejm n MET 48 Ca 0.00 -4.22 -0.06 0.00 -0.00 0.00 0.00 57.70 53.41 2ejm n MET 48 Cb 0.00 -2.59 -0.01 0.00 -0.00 0.00 0.00 33.22 30.62 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 1.44 -2.38 -4.62 3.17 4.76 -1.26 -4.88 118.16 114.38 2ejm n LYS 49 Ca 0.41 0.32 -0.22 0.00 -2.87 0.00 0.00 58.31 55.94 2ejm n LYS 49 Cb 0.30 -4.81 -0.15 0.00 -1.84 0.00 0.00 35.03 28.54 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 -4.65 1.16 -0.14 1.97 -1.94 -1.26 -5.12 119.30 109.32 2ejm s MET 50 Ca 0.00 -0.60 -0.28 0.00 -1.71 0.00 0.00 55.69 53.11 2ejm s MET 50 Cb 0.00 -1.14 -0.01 0.00 2.01 0.00 0.00 34.83 35.69 2ejm s MET 50 CO 0.00 0.30 0.92 -1.21 -0.01 0.00 0.00 175.02 175.03 2ejm s GLU 51 N -0.56 4.36 0.03 2.03 8.01 -1.26 -3.35 118.70 127.96 2ejm s GLU 51 Ca 0.05 1.22 0.02 0.00 0.01 0.00 0.00 54.97 56.26 2ejm s GLU 51 Cb -0.06 -3.56 -0.04 0.00 -4.31 0.00 0.00 34.13 26.16 2ejm s GLU 51 CO -0.00 -0.32 0.05 -1.01 0.01 0.00 0.00 175.26 173.98 2ejm s HIS 52 N 2.08 3.16 -0.45 1.61 3.76 0.90 -4.95 115.29 121.41 2ejm s HIS 52 Ca 0.44 0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 55.45 2ejm s HIS 52 Cb -0.17 -1.67 0.12 0.00 1.11 0.00 0.00 32.58 31.97 2ejm s HIS 52 CO 0.15 0.51 0.22 0.99 -0.85 0.00 0.00 174.74 175.76 2ejm s THR 53 N -1.22 3.04 -0.66 1.30 2.01 -1.26 -2.06 115.64 116.79 2ejm s THR 53 Ca 0.24 -2.46 -0.27 0.00 0.31 0.00 0.00 61.69 59.51 2ejm s THR 53 Cb -0.12 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 2ejm s THR 53 CO 0.15 -0.72 1.71 -0.63 -0.69 0.00 0.00 174.62 174.44 2ejm s ILE 54 N 0.67 3.46 -0.07 1.82 1.09 -1.06 -4.95 121.20 122.16 2ejm s ILE 54 Ca 0.12 0.23 -0.30 0.00 -1.10 0.00 0.00 60.65 59.60 2ejm s ILE 54 Cb -0.22 -4.21 -0.02 0.00 -1.06 0.00 0.00 42.46 36.95 2ejm s ILE 54 CO -0.04 -1.17 1.04 -0.54 -0.10 0.00 0.00 174.94 174.12 2ejm s LYS 55 N 6.68 4.44 0.42 2.79 1.02 -1.26 -2.37 119.74 131.46 2ejm s LYS 55 Ca 0.59 1.45 -0.23 0.00 0.02 0.00 0.00 55.97 57.80 2ejm s LYS 55 Cb -0.11 -3.52 -0.12 0.00 -0.52 0.00 0.00 37.83 33.56 2ejm s LYS 55 CO 0.18 -0.28 0.69 0.45 -0.92 0.00 0.00 175.35 175.47 2ejm n SER 56 N 4.79 -0.21 0.09 2.83 2.88 -0.67 -4.71 113.62 118.62 2ejm n SER 56 Ca 0.09 0.94 -0.06 0.00 -1.33 0.00 0.00 58.87 58.51 2ejm n SER 56 Cb 0.49 -1.19 0.04 0.00 -0.75 0.00 0.00 64.21 62.80 2ejm n SER 56 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2ejm h PRO 57 N 1.00 0.13 -1.92 -1.46 0.13 -1.92 -2.35 132.00 125.60 2ejm h PRO 57 Ca -0.42 -0.12 0.18 0.00 -0.87 0.00 0.00 66.00 64.77 2ejm h PRO 57 Cb 1.38 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.38 2ejm h PRO 57 CO 0.53 0.84 0.64 -1.59 -0.23 0.00 0.00 178.00 178.19 2ejm s LYS 58 N -3.33 0.62 0.70 0.86 -2.85 -1.26 -4.82 119.74 109.65 2ejm s LYS 58 Ca -0.02 -0.24 -0.16 0.00 -1.00 0.00 0.00 55.97 54.55 2ejm s LYS 58 Cb 0.11 0.27 0.02 0.00 -2.06 0.00 0.00 37.83 36.18 2ejm s LYS 58 CO 0.81 -0.27 1.22 0.16 0.10 0.00 0.00 175.35 177.36 2ejm s ASP 59 N -2.42 4.38 0.00 0.03 1.47 -1.26 -4.17 116.67 114.71 2ejm s ASP 59 Ca 0.08 2.39 0.00 0.00 1.18 0.00 0.00 52.55 56.19 2ejm s ASP 59 Cb -0.01 -2.59 0.00 0.00 -0.34 0.00 0.00 42.92 39.98 2ejm s ASP 59 CO -0.06 -2.14 0.00 0.61 0.68 0.00 0.00 175.17 174.26 2ejm n GLY 60 N 0.45 0.70 3.30 2.12 0.00 -1.07 -4.87 105.19 105.83 2ejm n GLY 60 Ca 0.14 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 4.67 -0.47 2.61 2.01 -1.26 -2.36 115.64 118.84 2ejm s THR 61 Ca 0.00 -1.36 -0.39 0.00 0.31 0.00 0.00 61.69 60.25 2ejm s THR 61 Cb 0.00 -3.88 -0.16 0.00 0.01 0.00 0.00 72.50 68.47 2ejm s THR 61 CO 0.00 -0.61 2.20 0.52 -0.69 0.00 0.00 174.62 176.04 2ejm n VAL 62 N 5.05 0.07 0.28 3.82 0.31 -0.94 -1.91 118.33 125.02 2ejm n VAL 62 Ca -0.11 -0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 2ejm n VAL 62 Cb 0.42 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.30 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 10.73 -0.74 -2.24 5.55 3.64 -0.37 1.19 116.57 134.33 2ejm h LYS 63 Ca -0.17 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 2ejm h LYS 63 Cb 1.37 0.17 -0.22 0.00 -0.41 0.00 0.00 32.23 33.14 2ejm h LYS 63 CO 1.08 -0.49 0.01 0.21 -2.27 0.00 0.00 179.45 177.99 2ejm s LYS 64 N -4.06 0.72 0.35 1.90 2.20 -1.14 -3.74 119.74 115.98 2ejm s LYS 64 Ca -0.11 0.86 -0.07 0.00 -0.36 0.00 0.00 55.97 56.28 2ejm s LYS 64 Cb 0.01 0.35 -0.06 0.00 -1.51 0.00 0.00 37.83 36.63 2ejm s LYS 64 CO 0.33 -0.09 0.66 0.08 -0.36 0.00 0.00 175.35 175.98 2ejm s VAL 65 N 0.32 4.91 -0.04 4.02 1.01 -1.26 -2.35 120.40 127.01 2ejm s VAL 65 Ca -0.00 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.33 2ejm s VAL 65 Cb -0.04 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2ejm s VAL 65 CO 0.01 -0.43 0.00 0.49 0.00 0.00 0.00 175.10 175.17 2ejm n PHE 66 N -1.14 0.00 -4.55 5.22 3.72 -0.90 -4.98 117.46 114.83 2ejm n PHE 66 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 2ejm n PHE 66 Cb 0.54 -0.21 -0.12 0.00 -0.94 0.00 0.00 39.48 38.76 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 -2.10 2.65 0.41 1.38 1.51 -1.22 -5.10 117.35 114.87 2ejm s TYR 67 Ca -0.03 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 2ejm s TYR 67 Cb 0.01 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.36 2ejm s TYR 67 CO 0.16 0.30 0.13 0.54 -1.11 0.00 0.00 175.55 175.57 2ejm n ARG 68 N 1.43 0.61 -1.69 -0.62 1.74 -1.26 -5.02 116.66 111.85 2ejm n ARG 68 Ca -0.16 -3.43 -0.44 0.00 -0.77 0.00 0.00 57.85 53.05 2ejm n ARG 68 Cb 0.52 1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 33.68 2ejm n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ejm n GLU 69 N -0.95 2.23 -2.72 5.56 1.02 -1.26 -2.02 120.64 122.51 2ejm n GLU 69 Ca -0.08 0.80 -0.08 0.00 -0.02 0.00 0.00 57.16 57.78 2ejm n GLU 69 Cb 0.61 -2.51 0.02 0.00 -0.02 0.00 0.00 31.44 29.54 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 2.43 0.38 3.56 0.62 0.00 0.38 -4.97 105.19 107.60 2ejm n GLY 70 Ca 0.12 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.96 2.92 -0.31 4.61 0.00 -0.85 -4.86 121.76 120.31 2ejm s ALA 71 Ca 0.16 -1.39 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 2ejm s ALA 71 Cb -0.07 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.29 2ejm s ALA 71 CO 0.19 0.54 0.09 -1.14 0.00 0.00 0.00 175.76 175.44 2ejm s GLN 72 N -2.55 3.02 0.32 0.00 0.74 -1.26 -0.65 119.66 119.27 2ejm s GLN 72 Ca 0.23 -0.91 0.07 0.00 0.05 0.00 0.00 55.36 54.80 2ejm s GLN 72 Cb -0.10 -3.41 -0.02 0.00 1.10 0.00 0.00 33.01 30.58 2ejm s GLN 72 CO 0.14 -0.49 0.33 0.00 -0.55 0.00 0.00 175.29 174.72 2ejm s ALA 73 N 1.49 3.91 0.38 1.58 0.00 -1.17 -5.03 121.76 122.92 2ejm s ALA 73 Ca 0.02 -1.54 0.08 0.00 0.00 0.00 0.00 51.96 50.52 2ejm s ALA 73 Cb -0.18 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 2ejm s ALA 73 CO 0.03 0.05 0.25 -0.80 0.00 0.00 0.00 175.76 175.29 2ejm s ASN 74 N -4.02 4.85 -0.37 0.00 0.01 -1.26 -3.65 114.94 110.49 2ejm s ASN 74 Ca 0.40 -0.79 -0.29 0.00 -0.71 0.00 0.00 52.86 51.48 2ejm s ASN 74 Cb -0.07 -0.66 -0.00 0.00 0.41 0.00 0.00 41.25 40.92 2ejm s ASN 74 CO 0.28 -0.48 1.60 -0.60 -1.51 0.00 0.00 177.10 176.39 2ejm s ARG 75 N -3.98 3.46 0.00 -0.60 3.52 -1.26 -3.16 118.95 116.93 2ejm s ARG 75 Ca 0.42 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 57.21 2ejm s ARG 75 Cb -0.02 -4.11 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 2ejm s ARG 75 CO 0.25 -1.70 0.00 0.72 -0.81 0.00 0.00 175.30 173.76 2ejm n HIS 76 N 9.52 0.00 -4.26 5.12 8.25 -0.96 -5.01 115.22 127.89 2ejm n HIS 76 Ca 0.20 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.45 2ejm n HIS 76 Cb 0.47 -1.73 -0.12 0.00 1.12 0.00 0.00 29.99 29.73 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 -2.66 1.51 -0.25 1.59 -4.23 -1.19 -4.85 115.64 105.56 2ejm s THR 77 Ca 0.00 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 58.57 2ejm s THR 77 Cb 0.00 -1.53 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 2ejm s THR 77 CO 0.00 -0.27 1.33 -2.16 -0.54 0.00 0.00 174.62 172.98 2ejm s PRO 78 N -2.35 3.99 -0.18 3.99 0.04 -1.26 -1.10 135.00 138.13 2ejm s PRO 78 Ca 0.08 1.41 -0.16 0.00 0.04 0.00 0.00 61.00 62.37 2ejm s PRO 78 Cb -0.07 -3.87 -0.12 0.00 0.04 0.00 0.00 34.50 30.48 2ejm s PRO 78 CO 0.04 -1.03 0.05 -0.07 0.04 0.00 0.00 177.00 176.03 2ejm h LEU 79 N 10.65 0.00 -8.54 -3.56 3.38 -1.91 -3.44 115.31 111.88 2ejm h LEU 79 Ca -0.27 -0.29 -0.40 0.00 0.09 0.00 0.00 57.88 57.01 2ejm h LEU 79 Cb 1.11 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.67 2ejm h LEU 79 CO 1.01 1.15 -0.76 0.68 0.09 0.00 0.00 178.44 180.62 2ejm s VAL 80 N -2.29 1.22 -0.16 1.22 -7.23 -1.26 -2.11 120.40 109.80 2ejm s VAL 80 Ca -0.22 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2ejm s VAL 80 Cb 0.04 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.57 2ejm s VAL 80 CO 0.42 -0.41 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.92 2ejm s GLU 81 N -2.52 3.08 0.54 4.82 2.12 -0.99 -3.09 118.70 122.66 2ejm s GLU 81 Ca 0.06 -0.81 -0.16 0.00 0.36 0.00 0.00 54.97 54.42 2ejm s GLU 81 Cb -0.05 -2.54 -0.07 0.00 0.26 0.00 0.00 34.13 31.73 2ejm s GLU 81 CO 0.02 -0.05 1.00 -0.06 -0.54 0.00 0.00 175.26 175.63 2ejm s PHE 82 N 0.94 3.42 1.01 5.30 0.08 -1.26 0.33 117.98 127.80 2ejm s PHE 82 Ca -0.04 1.45 -0.12 0.00 0.12 0.00 0.00 56.93 58.34 2ejm s PHE 82 Cb -0.15 -2.81 0.20 0.00 -0.57 0.00 0.00 43.02 39.69 2ejm s PHE 82 CO -0.04 -0.50 1.08 -1.21 -0.10 0.00 0.00 175.22 174.46 2ejm s GLU 83 N -4.23 0.32 0.77 0.44 0.41 -0.80 -4.57 118.70 111.04 2ejm s GLU 83 Ca 0.59 0.62 -0.13 0.00 -0.41 0.00 0.00 54.97 55.64 2ejm s GLU 83 Cb -0.11 -1.72 0.06 0.00 -1.78 0.00 0.00 34.13 30.59 2ejm s GLU 83 CO 0.35 -2.83 1.15 -1.21 -0.49 0.00 0.00 175.26 172.23 2ejm s GLU 84 N -4.88 2.00 0.74 1.61 2.02 -1.26 -4.92 118.70 114.02 2ejm s GLU 84 Ca 0.66 1.51 -0.11 0.00 0.02 0.00 0.00 54.97 57.05 2ejm s GLU 84 Cb -0.19 -1.84 0.04 0.00 0.10 0.00 0.00 34.13 32.23 2ejm s GLU 84 CO 0.59 -1.89 1.08 -1.21 0.02 0.00 0.00 175.26 173.84 2ejm s GLU 85 N -4.35 2.52 0.01 1.61 2.02 -1.26 -5.00 118.70 114.26 2ejm s GLU 85 Ca 0.68 0.90 0.00 0.00 0.02 0.00 0.00 54.97 56.58 2ejm s GLU 85 Cb -0.23 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2ejm s GLU 85 CO 0.50 -1.38 0.00 -1.91 0.02 0.00 0.00 175.26 172.49 2ejm n GLU 86 N -3.31 0.00 0.17 1.61 4.07 -1.26 -5.05 120.64 116.86 2ejm n GLU 86 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 2ejm n GLU 86 Cb 0.54 -0.37 0.00 0.00 -0.06 0.00 0.00 31.44 31.56 2ejm n GLU 86 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2ejm n SER 87 N -2.92 -1.83 -3.72 4.31 7.64 -1.26 -5.08 113.62 110.76 2ejm n SER 87 Ca 0.00 0.61 -0.27 0.00 1.01 0.00 0.00 58.87 60.22 2ejm n SER 87 Cb 0.33 1.84 0.01 0.00 -1.01 0.00 0.00 64.21 65.38 2ejm n SER 87 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ejm n ASP 88 N -3.35 -5.04 -4.20 6.43 9.92 -1.26 -4.87 116.55 114.19 2ejm n ASP 88 Ca 0.00 -0.79 -0.40 0.00 -0.53 0.00 0.00 54.79 53.07 2ejm n ASP 88 Cb 0.00 -1.75 -0.04 0.00 -0.64 0.00 0.00 41.12 38.69 2ejm n ASP 88 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2ejm s LYS 89 N -4.42 3.64 -0.44 -1.24 1.02 -1.26 -5.02 119.74 112.02 2ejm s LYS 89 Ca 0.08 -3.25 -0.28 0.00 0.02 0.00 0.00 55.97 52.53 2ejm s LYS 89 Cb -0.01 -4.19 0.01 0.00 -0.52 0.00 0.00 37.83 33.12 2ejm s LYS 89 CO 0.89 -1.26 1.46 1.03 -0.92 0.00 0.00 175.35 176.55 2ejm s ARG 90 N -1.31 3.47 -0.40 1.68 0.52 -1.26 -4.97 118.95 116.68 2ejm s ARG 90 Ca 0.29 0.87 -0.20 0.00 -0.52 0.00 0.00 55.73 56.16 2ejm s ARG 90 Cb -0.08 -4.07 0.01 0.00 0.52 0.00 0.00 34.95 31.33 2ejm s ARG 90 CO -0.11 -1.70 0.60 -1.21 0.02 0.00 0.00 175.30 172.91 2ejm s GLU 91 N 5.17 3.41 0.52 3.54 8.01 -1.26 -5.05 118.70 133.04 2ejm s GLU 91 Ca 0.61 -0.27 -0.09 0.00 0.01 0.00 0.00 54.97 55.23 2ejm s GLU 91 Cb -0.14 -3.90 -0.05 0.00 -4.31 0.00 0.00 34.13 25.74 2ejm s GLU 91 CO 0.31 -0.88 0.89 0.45 0.01 0.00 0.00 175.26 176.04 2ejm s SER 92 N 1.90 6.33 0.04 -0.19 0.15 -1.26 -5.09 113.70 115.58 2ejm s SER 92 Ca 0.22 1.19 0.01 0.00 0.70 0.00 0.00 55.95 58.07 2ejm s SER 92 Cb -0.15 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 2ejm s SER 92 CO 0.17 -0.65 -0.05 -1.61 1.20 0.00 0.00 173.24 172.30 2ejm s GLU 93 N -4.66 0.50 0.13 5.44 0.41 -1.26 -5.17 118.70 114.09 2ejm s GLU 93 Ca 0.52 -0.86 0.03 0.00 -0.41 0.00 0.00 54.97 54.24 2ejm s GLU 93 Cb -0.10 -0.05 -0.01 0.00 -1.78 0.00 0.00 34.13 32.19 2ejm s GLU 93 CO 0.44 -0.02 0.12 -1.13 -0.49 0.00 0.00 175.26 174.17 2ejm n SER 94 N 1.07 -0.29 -3.37 -0.19 3.41 -1.26 -5.14 113.62 107.85 2ejm n SER 94 Ca -0.20 -1.82 -0.19 0.00 -0.26 0.00 0.00 58.87 56.40 2ejm n SER 94 Cb 0.57 0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 65.10 2ejm n SER 94 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ejm s GLY 95 N -1.87 0.17 -0.40 5.00 0.00 -1.26 -5.11 107.32 103.85 2ejm s GLY 95 Ca 0.15 -1.22 -0.29 0.00 0.00 0.00 0.00 44.72 43.36 2ejm s GLY 95 CO 0.10 2.61 1.41 2.56 0.00 0.00 0.00 173.10 179.78 2ejm s PRO 96 N 1.26 3.60 -0.04 2.90 0.04 -1.26 -5.00 135.00 136.50 2ejm s PRO 96 Ca 0.18 0.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.09 2ejm s PRO 96 Cb -0.16 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.32 2ejm s PRO 96 CO -0.02 -1.54 0.28 0.45 0.04 0.00 0.00 177.00 176.21 2ejm s SER 97 N 3.87 6.58 0.16 6.66 0.15 -1.26 -5.07 113.70 124.78 2ejm s SER 97 Ca 0.61 0.69 -0.24 0.00 0.70 0.00 0.00 55.95 57.71 2ejm s SER 97 Cb -0.14 -2.15 0.07 0.00 -1.71 0.00 0.00 66.02 62.10 2ejm s SER 97 CO 0.32 0.34 1.02 -0.94 1.20 0.00 0.00 173.24 175.17 2ejm s SER 98 N -1.20 -0.09 0.00 5.45 1.04 -1.26 -5.36 113.70 112.28 2ejm s SER 98 Ca 0.21 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2ejm s SER 98 Cb -0.14 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2ejm s SER 98 CO 0.10 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.03