#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eik s SER 2 N 0.00 -0.04 0.00 0.00 1.04 -1.26 -5.18 113.70 108.26 2eik s SER 2 Ca 0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2eik s SER 2 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2eik s SER 2 CO 0.00 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2eik n GLY 3 N -0.33 -1.00 0.00 7.32 0.00 -1.26 -5.19 105.19 104.73 2eik n GLY 3 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2eik n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eik n GLY 4 N 0.00 5.35 0.25 -0.02 0.00 -1.26 -4.99 105.19 104.52 2eik n GLY 4 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2eik n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eik n GLY 5 N 3.35 0.73 3.42 -0.02 0.00 -1.26 -5.07 105.19 106.34 2eik n GLY 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2eik n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2eik s VAL 6 N -2.11 4.19 0.89 1.61 1.01 -1.26 -5.09 120.40 119.63 2eik s VAL 6 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 2eik s VAL 6 Cb 0.00 -3.00 0.13 0.00 0.00 0.00 0.00 36.38 33.51 2eik s VAL 6 CO 0.00 0.29 1.15 -2.16 0.00 0.00 0.00 175.10 174.38 2eik s PRO 7 N 1.58 1.21 0.38 2.72 0.04 -1.26 -5.04 135.00 134.63 2eik s PRO 7 Ca 0.06 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.72 2eik s PRO 7 Cb -0.15 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2eik s PRO 7 CO 0.03 -2.49 0.32 0.95 0.04 0.00 0.00 177.00 175.85 2eik s THR 8 N -2.60 2.99 0.20 1.26 -4.23 -1.26 -4.97 115.64 107.02 2eik s THR 8 Ca 0.67 -1.39 -0.10 0.00 -1.18 0.00 0.00 61.69 59.69 2eik s THR 8 Cb -0.23 -3.07 0.13 0.00 1.34 0.00 0.00 72.50 70.67 2eik s THR 8 CO 0.57 -0.08 1.80 0.44 -0.54 0.00 0.00 174.62 176.81 2eik h ASP 9 N 1.16 0.91 -0.92 3.99 3.32 -1.96 0.70 116.42 123.62 2eik h ASP 9 Ca -0.43 -0.11 0.12 0.00 0.02 0.00 0.00 57.03 56.63 2eik h ASP 9 Cb 1.26 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 2eik h ASP 9 CO 0.58 0.76 0.59 -0.08 -1.72 0.00 0.00 179.24 179.38 2eik h GLU 10 N 0.99 0.84 0.01 3.56 4.57 -1.95 0.26 114.58 122.86 2eik h GLU 10 Ca 0.25 -0.05 -0.28 0.00 -1.18 0.00 0.00 59.36 58.10 2eik h GLU 10 Cb 0.07 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 2eik h GLU 10 CO -0.04 0.56 -1.55 0.93 -1.18 0.00 0.00 179.01 177.73 2eik h GLU 11 N 0.87 0.02 0.00 1.92 5.08 -1.81 -3.42 114.58 117.23 2eik h GLU 11 Ca 0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2eik h GLU 11 Cb 0.52 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2eik h GLU 11 CO -0.21 0.65 -0.82 0.94 -1.00 0.00 0.00 179.01 178.57 2eik n GLN 12 N -3.14 1.62 -1.74 2.33 7.27 0.19 -4.96 117.38 118.95 2eik n GLN 12 Ca -0.13 -0.01 -0.39 0.00 0.07 0.00 0.00 57.00 56.53 2eik n GLN 12 Cb 1.03 -0.92 0.03 0.00 2.41 0.00 0.00 30.24 32.79 2eik n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eik n ALA 13 N -1.42 1.67 -4.20 1.69 0.00 0.90 -4.99 120.51 114.15 2eik n ALA 13 Ca -0.00 0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.42 2eik n ALA 13 Cb 0.03 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.06 2eik n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2eik n THR 14 N -0.60 0.00 -2.82 0.00 5.66 -1.26 -4.67 114.28 110.60 2eik n THR 14 Ca 0.08 -2.30 0.00 0.00 -3.05 0.00 0.00 64.05 58.78 2eik n THR 14 Cb 0.43 1.18 0.00 0.00 -1.55 0.00 0.00 70.33 70.39 2eik n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2eik n GLY 15 N -0.61 2.08 0.32 1.09 0.00 -1.26 -2.06 105.19 104.74 2eik n GLY 15 Ca 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 2eik n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2eik h LEU 16 N 0.00 0.84 -0.49 0.99 5.85 -1.99 -2.28 115.31 118.23 2eik h LEU 16 Ca 0.00 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2eik h LEU 16 Cb 0.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2eik h LEU 16 CO 0.00 0.74 0.22 -0.08 -0.34 0.00 0.00 178.44 178.98 2eik h GLU 17 N 0.91 0.41 -0.56 1.25 4.81 -1.92 -0.38 114.58 119.11 2eik h GLU 17 Ca 0.22 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2eik h GLU 17 Cb 0.15 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2eik h GLU 17 CO -0.02 0.27 0.19 -0.09 -0.73 0.00 0.00 179.01 178.63 2eik h ARG 18 N 0.42 0.85 -0.20 1.92 2.43 -0.89 -1.62 114.38 117.30 2eik h ARG 18 Ca 0.22 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2eik h ARG 18 Cb 0.18 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2eik h ARG 18 CO -0.19 0.76 0.13 0.93 -1.51 0.00 0.00 179.97 180.09 2eik h GLU 19 N 0.77 0.26 -0.96 0.20 5.08 -0.96 0.19 114.58 119.15 2eik h GLU 19 Ca 0.18 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 2eik h GLU 19 Cb 0.25 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 2eik h GLU 19 CO -0.01 0.17 0.63 0.28 -1.00 0.00 0.00 179.01 179.07 2eik h VAL 20 N 0.26 1.14 -0.11 3.13 2.07 -0.94 -0.89 116.25 120.92 2eik h VAL 20 Ca 0.07 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2eik h VAL 20 Cb -0.03 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.59 2eik h VAL 20 CO -0.02 0.22 -0.00 -0.03 0.02 0.00 0.00 177.57 177.75 2eik h MET 21 N 1.19 0.19 -0.40 1.57 1.85 -0.54 -1.08 114.93 117.72 2eik h MET 21 Ca 0.39 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 59.39 2eik h MET 21 Cb 0.05 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 2eik h MET 21 CO -0.14 0.45 0.13 -0.07 -0.40 0.00 0.00 176.91 176.88 2eik h LEU 22 N -0.09 0.57 -0.73 3.39 3.38 -0.43 -2.41 115.31 118.99 2eik h LEU 22 Ca 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2eik h LEU 22 Cb 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2eik h LEU 22 CO 0.01 0.62 0.35 0.00 0.09 0.00 0.00 178.44 179.50 2eik h ALA 23 N 0.98 0.94 -0.36 1.53 0.00 -1.16 -2.09 119.26 119.09 2eik h ALA 23 Ca 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2eik h ALA 23 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2eik h ALA 23 CO -0.01 0.50 0.22 0.00 0.00 0.00 0.00 179.25 179.96 2eik h ALA 24 N 1.17 1.70 -0.59 0.00 0.00 -1.01 0.65 119.26 121.18 2eik h ALA 24 Ca 0.25 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2eik h ALA 24 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2eik h ALA 24 CO -0.03 0.26 0.02 -0.09 0.00 0.00 0.00 179.25 179.41 2eik h ARG 25 N 0.50 1.01 -0.02 0.00 2.43 -0.88 -2.40 114.38 115.02 2eik h ARG 25 Ca 0.13 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2eik h ARG 25 Cb -0.02 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2eik h ARG 25 CO -0.03 0.98 0.00 1.63 -1.51 0.00 0.00 179.97 181.05 2eik n LYS 26 N -4.19 1.14 -1.08 0.20 5.02 -0.69 -4.89 118.16 113.66 2eik n LYS 26 Ca 0.03 -0.20 -0.02 0.00 -2.02 0.00 0.00 58.31 56.10 2eik n LYS 26 Cb 0.33 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 2eik n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2eik n GLY 27 N 0.95 0.56 3.88 0.72 0.00 -0.90 -5.04 105.19 105.36 2eik n GLY 27 Ca 0.19 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 2eik n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eik s GLN 28 N -2.23 3.07 -0.39 1.61 -0.21 0.14 -4.99 119.66 116.65 2eik s GLN 28 Ca 0.00 -0.99 0.10 0.00 0.02 0.00 0.00 55.36 54.49 2eik s GLN 28 Cb 0.00 -2.67 0.29 0.00 1.00 0.00 0.00 33.01 31.64 2eik s GLN 28 CO 0.00 0.36 0.62 -3.47 -2.12 0.00 0.00 175.29 170.69 2eik n ASP 29 N -1.29 0.65 0.25 5.90 2.03 -1.26 -3.63 116.55 119.20 2eik n ASP 29 Ca -0.07 -2.87 0.11 0.00 0.52 0.00 0.00 54.79 52.48 2eik n ASP 29 Cb 0.58 -0.63 0.67 0.00 -0.72 0.00 0.00 41.12 41.02 2eik n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2eik h PRO 30 N 3.56 0.00 -0.68 -0.67 0.13 -1.97 -3.04 132.00 129.34 2eik h PRO 30 Ca 0.09 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.02 2eik h PRO 30 Cb 0.90 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.92 2eik h PRO 30 CO 0.50 0.14 0.23 0.66 -0.23 0.00 0.00 178.00 179.29 2eik n TYR 31 N -3.76 2.26 -4.01 1.56 4.02 -1.26 -4.97 117.16 111.00 2eik n TYR 31 Ca -0.02 -1.19 -0.28 0.00 -0.01 0.00 0.00 57.90 56.40 2eik n TYR 31 Cb 0.25 -0.65 -0.02 0.00 -0.02 0.00 0.00 39.34 38.90 2eik n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2eik n ASN 32 N -0.23 -1.18 0.08 7.72 3.02 -1.15 -4.88 115.26 118.64 2eik n ASN 32 Ca 0.39 -1.00 -0.01 0.00 -0.03 0.00 0.00 54.58 53.93 2eik n ASN 32 Cb 1.33 -3.03 -0.05 0.00 -0.61 0.00 0.00 39.78 37.42 2eik n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2eik h ILE 33 N -1.78 0.96 -2.76 2.41 2.04 -1.94 -3.46 117.51 112.98 2eik h ILE 33 Ca -0.62 -2.47 -0.58 0.00 1.00 0.00 0.00 64.86 62.19 2eik h ILE 33 Cb 1.38 2.42 -0.06 0.00 -0.74 0.00 0.00 36.82 39.82 2eik h ILE 33 CO 0.66 0.55 -0.55 -0.76 0.00 0.00 0.00 178.15 178.05 2eik s LEU 34 N -6.32 3.94 -0.20 1.44 1.43 -1.26 -5.08 118.68 112.63 2eik s LEU 34 Ca 0.01 -0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 2eik s LEU 34 Cb 0.08 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 2eik s LEU 34 CO 0.79 0.09 0.71 0.00 0.23 0.00 0.00 176.35 178.16 2eik s ALA 35 N -1.68 3.55 0.42 4.21 0.00 -1.26 -5.03 121.76 121.97 2eik s ALA 35 Ca 0.32 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.84 2eik s ALA 35 Cb -0.11 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 2eik s ALA 35 CO 0.24 -0.65 1.21 -1.25 0.00 0.00 0.00 175.76 175.32 2eik s PRO 36 N 2.14 3.92 0.07 0.00 0.04 -1.26 -5.01 135.00 134.90 2eik s PRO 36 Ca 0.32 1.93 -0.23 0.00 0.04 0.00 0.00 61.00 63.05 2eik s PRO 36 Cb -0.16 -2.62 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 2eik s PRO 36 CO 0.10 -0.46 0.69 0.15 0.04 0.00 0.00 177.00 177.53 2eik s LYS 37 N -2.40 4.42 0.44 4.56 3.01 -1.26 -5.05 119.74 123.46 2eik s LYS 37 Ca 0.59 0.95 -0.21 0.00 -1.01 0.00 0.00 55.97 56.29 2eik s LYS 37 Cb -0.33 -3.31 -0.10 0.00 -1.01 0.00 0.00 37.83 33.09 2eik s LYS 37 CO 0.41 0.43 1.00 0.00 0.51 0.00 0.00 175.35 177.70 2eik s ALA 38 N -0.52 2.98 0.52 5.17 0.00 -1.26 -5.02 121.76 123.63 2eik s ALA 38 Ca 0.34 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2eik s ALA 38 Cb -0.20 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2eik s ALA 38 CO 0.22 -0.10 0.00 0.25 0.00 0.00 0.00 175.76 176.12 2eik n THR 39 N -0.64 0.00 0.43 0.00 -2.24 -1.26 -4.96 114.28 105.61 2eik n THR 39 Ca 0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 2eik n THR 39 Cb 0.53 -1.52 0.46 0.00 -2.10 0.00 0.00 70.33 67.69 2eik n THR 39 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2eik h SER 40 N 0.00 0.00 -0.11 3.42 4.64 -1.92 -3.47 113.55 116.11 2eik h SER 40 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2eik h SER 40 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2eik h SER 40 CO 0.00 0.00 -0.04 0.61 -0.87 0.00 0.00 176.83 176.53 2eik n GLY 41 N 0.56 0.45 3.69 -0.77 0.00 -0.50 -4.91 105.19 103.72 2eik n GLY 41 Ca 0.03 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2eik n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2eik s THR 42 N -1.67 1.74 0.22 2.61 -4.23 -1.10 0.17 115.64 113.39 2eik s THR 42 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 2eik s THR 42 Cb 0.00 -2.63 0.17 0.00 1.34 0.00 0.00 72.50 71.37 2eik s THR 42 CO 0.00 0.00 1.80 0.50 -0.54 0.00 0.00 174.62 176.38 2eik h LYS 43 N -2.25 1.17 0.00 3.99 3.64 -1.96 -2.64 116.57 118.51 2eik h LYS 43 Ca -0.46 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 58.64 2eik h LYS 43 Cb 1.28 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2eik h LYS 43 CO 0.38 0.94 -0.54 0.93 -2.27 0.00 0.00 179.45 178.89 2eik h GLU 44 N 1.14 0.00 -2.12 1.90 3.07 -2.02 -3.38 114.58 113.18 2eik h GLU 44 Ca 0.26 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.56 2eik h GLU 44 Cb 0.20 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.71 2eik h GLU 44 CO -0.02 0.34 -0.87 -3.47 -1.40 0.00 0.00 179.01 173.59 2eik n ASP 45 N -3.12 2.28 -4.80 1.42 4.64 -1.11 -5.11 116.55 110.75 2eik n ASP 45 Ca 0.01 -3.18 -0.32 0.00 -1.38 0.00 0.00 54.79 49.92 2eik n ASP 45 Cb 0.69 -0.63 0.05 0.00 -1.04 0.00 0.00 41.12 40.19 2eik n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2eik s PRO 46 N -2.26 2.82 -0.08 -0.67 0.04 -1.01 -1.41 135.00 132.42 2eik s PRO 46 Ca 0.40 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 2eik s PRO 46 Cb 0.22 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 2eik s PRO 46 CO -0.08 -1.20 1.21 -0.80 0.04 0.00 0.00 177.00 176.17 2eik s ASN 47 N -3.30 7.03 -0.33 6.66 0.01 -0.02 -4.80 114.94 120.18 2eik s ASN 47 Ca 0.61 1.79 -0.24 0.00 -0.71 0.00 0.00 52.86 54.31 2eik s ASN 47 Cb -0.16 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 38.95 2eik s ASN 47 CO 0.49 -0.63 0.84 -0.76 -1.51 0.00 0.00 177.10 175.54 2eik s LEU 48 N 2.51 4.07 -0.42 0.60 2.01 -1.26 -0.52 118.68 125.66 2eik s LEU 48 Ca 0.56 0.61 -0.14 0.00 0.01 0.00 0.00 54.13 55.16 2eik s LEU 48 Cb -0.24 -3.14 0.04 0.00 0.01 0.00 0.00 46.19 42.86 2eik s LEU 48 CO 0.20 -0.71 0.31 -0.69 1.01 0.00 0.00 176.35 176.47 2eik s VAL 49 N 3.15 5.07 0.51 -1.59 1.01 0.72 -4.94 120.40 124.32 2eik s VAL 49 Ca 0.34 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 2eik s VAL 49 Cb -0.13 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2eik s VAL 49 CO 0.15 -0.38 1.15 -2.84 0.00 0.00 0.00 175.10 173.18 2eik s PRO 50 N 1.63 3.52 0.02 2.72 0.02 -1.26 -1.00 135.00 140.65 2eik s PRO 50 Ca 0.04 1.71 -0.24 0.00 0.02 0.00 0.00 61.00 62.53 2eik s PRO 50 Cb -0.21 -2.19 0.05 0.00 0.02 0.00 0.00 34.50 32.18 2eik s PRO 50 CO 0.08 -0.73 0.53 0.45 -0.33 0.00 0.00 177.00 177.00 2eik s SER 51 N -1.56 -0.46 0.00 2.53 0.15 -1.16 -4.86 113.70 108.34 2eik s SER 51 Ca 0.69 0.29 0.24 0.00 0.70 0.00 0.00 55.95 57.87 2eik s SER 51 Cb -0.27 0.48 0.32 0.00 -1.71 0.00 0.00 66.02 64.84 2eik s SER 51 CO 0.31 -0.67 1.31 2.30 1.20 0.00 0.00 173.24 177.69 2eik n ILE 52 N 0.61 0.00 -3.20 6.45 -5.35 -1.26 0.22 119.36 116.83 2eik n ILE 52 Ca -0.19 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 2eik n ILE 52 Cb 0.59 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.59 2eik n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2eik n THR 53 N 0.33 0.00 0.55 7.28 -2.24 -1.26 -4.43 114.28 114.51 2eik n THR 53 Ca 0.12 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.01 2eik n THR 53 Cb 0.48 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.97 2eik n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2eik n ASN 54 N -0.40 2.73 -3.58 3.42 6.94 -1.26 -4.48 115.26 118.63 2eik n ASN 54 Ca 0.00 -1.92 -0.14 0.00 -0.02 0.00 0.00 54.58 52.50 2eik n ASN 54 Cb 0.00 -0.26 -0.06 0.00 -2.36 0.00 0.00 39.78 37.10 2eik n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2eik s LYS 55 N -1.48 0.81 -0.07 -3.83 -2.85 -1.26 -0.60 119.74 110.45 2eik s LYS 55 Ca 0.36 0.43 -0.07 0.00 -1.00 0.00 0.00 55.97 55.69 2eik s LYS 55 Cb 0.20 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.37 2eik s LYS 55 CO 0.27 -0.20 0.20 0.50 0.10 0.00 0.00 175.35 176.22 2eik s ARG 56 N -0.63 0.25 0.00 1.78 3.52 0.01 -4.93 118.95 118.96 2eik s ARG 56 Ca -0.04 0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.52 2eik s ARG 56 Cb -0.02 0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.45 2eik s ARG 56 CO 0.04 -0.03 1.23 0.42 -0.81 0.00 0.00 175.30 176.14 2eik s ILE 57 N 0.05 4.09 -0.09 4.11 1.01 -1.26 0.95 121.20 130.06 2eik s ILE 57 Ca -0.01 1.46 -0.01 0.00 0.00 0.00 0.00 60.65 62.09 2eik s ILE 57 Cb -0.02 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2eik s ILE 57 CO 0.00 0.05 -0.02 -0.69 0.00 0.00 0.00 174.94 174.29 2eik s VAL 58 N 1.72 4.14 -0.16 2.92 1.01 0.18 -4.89 120.40 125.32 2eik s VAL 58 Ca 0.58 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2eik s VAL 58 Cb -0.28 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2eik s VAL 58 CO 0.26 0.59 -0.17 -0.83 0.00 0.00 0.00 175.10 174.95 2eik s GLY 59 N -0.72 1.45 -0.20 4.51 0.00 -1.26 -1.10 107.32 109.99 2eik s GLY 59 Ca 0.11 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.72 2eik s GLY 59 CO 0.02 0.07 -0.09 0.00 0.00 0.00 0.00 173.10 173.10 2eik s ILE 61 N 1.27 5.84 0.22 0.00 1.01 -1.26 -1.38 121.20 126.90 2eik s ILE 61 Ca 0.03 -3.14 -0.16 0.00 0.00 0.00 0.00 60.65 57.39 2eik s ILE 61 Cb -0.14 -4.60 0.25 0.00 0.01 0.00 0.00 42.46 37.97 2eik s ILE 61 CO -0.04 -1.19 1.49 0.00 0.00 0.00 0.00 174.94 175.20 2eik s GLU 63 N -5.93 1.30 0.35 0.00 2.02 -1.26 -5.07 118.70 110.11 2eik s GLU 63 Ca -0.13 -1.24 -0.29 0.00 0.02 0.00 0.00 54.97 53.33 2eik s GLU 63 Cb 0.20 -1.66 -0.11 0.00 0.10 0.00 0.00 34.13 32.65 2eik s GLU 63 CO 0.69 0.39 1.53 -1.91 0.02 0.00 0.00 175.26 175.99 2eik n GLU 64 N 1.07 2.70 -0.98 1.61 2.13 -1.26 -1.92 120.64 123.99 2eik n GLU 64 Ca -0.19 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.59 2eik n GLU 64 Cb 0.53 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2eik n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2eik n ASP 65 N 1.09 -2.14 -4.77 4.31 10.43 -1.26 -5.01 116.55 119.21 2eik n ASP 65 Ca 0.04 0.00 -0.39 0.00 2.57 0.00 0.00 54.79 57.01 2eik n ASP 65 Cb 0.38 -0.66 -0.02 0.00 1.84 0.00 0.00 41.12 42.66 2eik n ASP 65 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2eik s ASN 66 N -2.32 6.49 0.04 -2.24 -0.87 -0.81 -4.92 114.94 110.32 2eik s ASN 66 Ca 0.00 2.44 0.20 0.00 -1.57 0.00 0.00 52.86 53.92 2eik s ASN 66 Cb 0.00 -2.62 -0.16 0.00 -0.02 0.00 0.00 41.25 38.44 2eik s ASN 66 CO 0.00 -0.70 0.71 -1.54 -2.57 0.00 0.00 177.10 172.99 2eik n SER 67 N 0.15 0.56 -4.70 -1.22 3.41 -1.26 -4.86 113.62 105.70 2eik n SER 67 Ca 0.04 0.23 -0.39 0.00 -0.26 0.00 0.00 58.87 58.49 2eik n SER 67 Cb 0.45 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 65.10 2eik n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2eik s THR 68 N -3.12 5.08 -0.14 6.66 2.01 -1.26 -5.05 115.64 119.81 2eik s THR 68 Ca -0.04 1.21 -0.05 0.00 0.31 0.00 0.00 61.69 63.11 2eik s THR 68 Cb 0.10 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2eik s THR 68 CO 0.83 0.22 0.04 -0.69 -0.69 0.00 0.00 174.62 174.33 2eik s VAL 69 N 1.19 4.59 -0.29 3.82 1.01 -1.26 -4.72 120.40 124.74 2eik s VAL 69 Ca 0.31 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 2eik s VAL 69 Cb -0.16 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2eik s VAL 69 CO 0.13 0.53 0.43 -0.63 0.00 0.00 0.00 175.10 175.55 2eik s ILE 70 N -0.15 5.13 -0.09 2.22 -1.09 -0.48 -4.89 121.20 121.85 2eik s ILE 70 Ca 0.06 0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 59.03 2eik s ILE 70 Cb -0.12 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 2eik s ILE 70 CO 0.02 0.06 -0.05 0.26 -1.23 0.00 0.00 174.94 174.00 2eik s TRP 71 N 2.17 3.01 -0.07 3.97 0.52 -1.26 0.33 118.94 127.61 2eik s TRP 71 Ca 0.17 -0.01 -0.30 0.00 0.02 0.00 0.00 56.10 55.98 2eik s TRP 71 Cb -0.16 -1.78 0.10 0.00 -1.15 0.00 0.00 33.47 30.48 2eik s TRP 71 CO 0.10 0.28 0.84 -0.59 0.02 0.00 0.00 176.95 177.60 2eik s PHE 72 N -0.56 -0.48 -0.08 -1.98 -0.12 -0.26 -4.98 117.98 109.51 2eik s PHE 72 Ca 0.09 0.72 -0.30 0.00 -0.05 0.00 0.00 56.93 57.39 2eik s PHE 72 Cb -0.12 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 2eik s PHE 72 CO 0.02 -0.51 1.17 -1.58 -0.05 0.00 0.00 175.22 174.27 2eik s TRP 73 N -1.65 3.22 -0.29 3.49 0.52 -1.26 0.47 118.94 123.45 2eik s TRP 73 Ca -0.04 1.27 -0.13 0.00 0.02 0.00 0.00 56.10 57.22 2eik s TRP 73 Cb -0.00 -3.38 -0.04 0.00 -1.15 0.00 0.00 33.47 28.89 2eik s TRP 73 CO 0.02 -1.13 0.29 -1.17 0.02 0.00 0.00 176.95 174.98 2eik s LEU 74 N 2.32 4.10 0.17 2.99 2.96 0.27 -4.91 118.68 126.58 2eik s LEU 74 Ca 0.54 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 2eik s LEU 74 Cb -0.23 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2eik s LEU 74 CO 0.20 -0.15 0.34 -1.00 -1.32 0.00 0.00 176.35 174.42 2eik s HIS 75 N 1.93 3.49 0.30 5.38 3.76 -1.26 -0.81 115.29 128.08 2eik s HIS 75 Ca 0.11 0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 55.00 2eik s HIS 75 Cb -0.16 -1.80 -0.11 0.00 1.11 0.00 0.00 32.58 31.62 2eik s HIS 75 CO 0.11 0.44 1.56 0.21 -0.85 0.00 0.00 174.74 176.21 2eik s LYS 76 N -3.17 4.13 0.00 1.40 2.20 0.23 -4.48 119.74 120.04 2eik s LYS 76 Ca 0.37 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 2eik s LYS 76 Cb -0.11 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2eik s LYS 76 CO 0.28 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 2eik n GLY 77 N 1.85 0.37 3.75 5.54 0.00 -1.26 -5.06 105.19 110.38 2eik n GLY 77 Ca 0.07 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 2eik n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2eik n GLU 78 N 0.00 2.67 -1.64 1.61 4.07 -1.26 -4.72 120.64 121.37 2eik n GLU 78 Ca 0.00 0.94 -0.42 0.00 -0.06 0.00 0.00 57.16 57.62 2eik n GLU 78 Cb 0.00 -2.70 0.00 0.00 -0.06 0.00 0.00 31.44 28.68 2eik n GLU 78 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2eik n ALA 79 N 1.52 0.46 -2.62 4.31 0.00 -1.26 -4.95 120.51 117.97 2eik n ALA 79 Ca 0.06 0.30 -0.23 0.00 0.00 0.00 0.00 53.44 53.58 2eik n ALA 79 Cb 0.37 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 2eik n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2eik s GLN 80 N -1.89 2.51 0.07 0.00 -0.21 -0.23 -4.92 119.66 114.99 2eik s GLN 80 Ca 0.60 -1.37 0.09 0.00 0.02 0.00 0.00 55.36 54.70 2eik s GLN 80 Cb -0.59 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.10 2eik s GLN 80 CO 0.59 0.25 -0.22 1.03 -2.12 0.00 0.00 175.29 174.82 2eik s ARG 81 N -3.81 1.82 0.15 2.91 0.52 -1.26 -1.02 118.95 118.26 2eik s ARG 81 Ca 0.35 -1.12 -0.31 0.00 -0.52 0.00 0.00 55.73 54.12 2eik s ARG 81 Cb -0.05 -2.06 -0.11 0.00 0.52 0.00 0.00 34.95 33.25 2eik s ARG 81 CO 0.23 0.50 1.80 0.00 0.02 0.00 0.00 175.30 177.85 2eik h PRO 83 N 7.98 0.00 0.00 0.00 0.11 -1.96 0.30 132.00 138.43 2eik h PRO 83 Ca -0.45 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.26 2eik h PRO 83 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2eik h PRO 83 CO 0.95 0.00 -2.34 0.45 -0.21 0.00 0.00 178.00 176.86 2eik n SER 84 N -2.37 1.87 -0.02 -2.05 2.88 -1.26 -4.76 113.62 107.91 2eik n SER 84 Ca -0.02 0.32 0.07 0.00 -1.33 0.00 0.00 58.87 57.92 2eik n SER 84 Cb 0.08 -0.78 -0.08 0.00 -0.75 0.00 0.00 64.21 62.69 2eik n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eik n GLY 86 N 1.34 0.57 3.76 0.00 0.00 0.11 -4.91 105.19 106.05 2eik n GLY 86 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2eik n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2eik s THR 87 N -2.58 2.37 0.15 2.61 -4.23 -1.26 -4.31 115.64 108.39 2eik s THR 87 Ca 0.00 0.28 -0.19 0.00 -1.18 0.00 0.00 61.69 60.60 2eik s THR 87 Cb 0.00 -3.15 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 2eik s THR 87 CO 0.00 0.00 0.64 -1.00 -0.54 0.00 0.00 174.62 173.72 2eik s HIS 88 N -1.35 3.73 -0.02 3.99 0.09 0.13 -1.15 115.29 120.70 2eik s HIS 88 Ca 0.68 1.31 0.02 0.00 -0.00 0.00 0.00 55.06 57.07 2eik s HIS 88 Cb -0.38 -2.54 0.00 0.00 -0.00 0.00 0.00 32.58 29.66 2eik s HIS 88 CO 0.45 0.47 -0.06 0.71 -0.00 0.00 0.00 174.74 176.31 2eik s TYR 89 N -1.32 0.61 -0.05 1.40 2.02 -0.19 -0.84 117.35 118.97 2eik s TYR 89 Ca 0.36 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 2eik s TYR 89 Cb -0.18 -0.45 0.02 0.00 -0.40 0.00 0.00 41.96 40.95 2eik s TYR 89 CO 0.21 -0.06 -0.04 0.21 -1.57 0.00 0.00 175.55 174.29 2eik s LYS 90 N 0.18 0.87 0.11 -0.62 2.20 0.32 -1.07 119.74 121.73 2eik s LYS 90 Ca -0.02 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 2eik s LYS 90 Cb -0.06 -0.92 -0.06 0.00 -1.51 0.00 0.00 37.83 35.28 2eik s LYS 90 CO -0.00 -0.12 1.16 -1.17 -0.36 0.00 0.00 175.35 174.86 2eik s LEU 91 N 1.10 4.41 -0.56 5.43 2.96 -1.26 -0.20 118.68 130.56 2eik s LEU 91 Ca -0.08 2.04 0.04 0.00 -0.22 0.00 0.00 54.13 55.91 2eik s LEU 91 Cb -0.14 -3.59 0.15 0.00 0.50 0.00 0.00 46.19 43.11 2eik s LEU 91 CO -0.01 -0.37 0.34 0.68 -1.32 0.00 0.00 176.35 175.67 2eik s VAL 92 N 0.55 2.26 1.03 1.68 -7.23 -0.17 -4.69 120.40 113.83 2eik s VAL 92 Ca 0.55 -3.44 -0.13 0.00 -1.81 0.00 0.00 61.98 57.15 2eik s VAL 92 Cb -0.29 -2.53 0.16 0.00 0.56 0.00 0.00 36.38 34.28 2eik s VAL 92 CO 0.32 -0.93 0.79 -0.81 -0.31 0.00 0.00 175.10 174.15 2eik n PRO 93 N 2.78 -1.21 0.00 4.82 -0.04 -1.26 -2.96 135.00 137.13 2eik n PRO 93 Ca 0.13 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2eik n PRO 93 Cb 0.35 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 2eik n PRO 93 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2eik n HIS 94 N -4.37 -0.35 0.00 0.54 -0.00 0.60 -4.77 115.22 106.86 2eik n HIS 94 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2eik n HIS 94 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 2eik n HIS 94 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 2eik n GLN 95 N -0.07 0.00 0.00 1.57 -0.06 -1.26 -4.86 117.38 112.69 2eik n GLN 95 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2eik n GLN 95 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2eik n GLN 95 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2eik n LEU 96 N 0.00 0.00 -4.61 1.69 0.00 -1.26 -4.68 117.00 108.14 2eik n LEU 96 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.58 2eik n LEU 96 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 2eik n LEU 96 CO 0.00 0.00 0.85 0.00 0.00 0.00 0.00 177.39 178.24 2eik s ALA 97 N -1.00 3.38 -1.33 1.96 0.00 -1.26 -5.12 121.76 118.40 2eik s ALA 97 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2eik s ALA 97 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2eik s ALA 97 CO 0.00 -1.70 0.33 0.72 0.00 0.00 0.00 175.76 175.11