#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eej s SER 2 N 0.00 5.06 0.33 1.61 0.15 -1.26 -4.92 113.70 114.67 2eej s SER 2 Ca 0.00 2.64 -0.29 0.00 0.70 0.00 0.00 55.95 59.00 2eej s SER 2 Cb 0.00 -2.62 -0.11 0.00 -1.71 0.00 0.00 66.02 61.57 2eej s SER 2 CO 0.00 -1.70 1.56 -0.94 1.20 0.00 0.00 173.24 173.36 2eej s SER 3 N -1.22 6.33 0.90 5.45 1.04 -1.26 -4.92 113.70 120.03 2eej s SER 3 Ca 0.76 3.02 -0.16 0.00 0.48 0.00 0.00 55.95 60.05 2eej s SER 3 Cb -0.37 -2.65 -0.09 0.00 0.10 0.00 0.00 66.02 63.01 2eej s SER 3 CO 0.42 -0.92 -0.26 0.61 0.98 0.00 0.00 173.24 174.07 2eej n GLY 4 N 1.45 -3.45 2.64 7.32 0.00 -1.26 -4.97 105.19 106.92 2eej n GLY 4 Ca 0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 2eej n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eej s SER 5 N -1.32 3.50 0.39 1.61 1.04 -1.26 -5.12 113.70 112.54 2eej s SER 5 Ca 0.49 -2.33 -0.27 0.00 0.48 0.00 0.00 55.95 54.32 2eej s SER 5 Cb -0.24 -0.81 -0.11 0.00 0.10 0.00 0.00 66.02 64.96 2eej s SER 5 CO 0.74 -0.30 1.44 -0.24 0.98 0.00 0.00 173.24 175.85 2eej n SER 6 N 3.91 3.49 0.00 7.02 2.88 -1.26 -4.82 113.62 124.84 2eej n SER 6 Ca 0.08 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2eej n SER 6 Cb 0.36 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 2eej n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eej n GLY 7 N 0.54 -1.75 3.25 0.46 0.00 -1.26 -5.16 105.19 101.27 2eej n GLY 7 Ca 0.03 0.64 -0.28 0.00 0.00 0.00 0.00 46.02 46.41 2eej n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eej n PRO 8 N -0.30 -3.00 -4.12 1.61 -0.04 -1.26 -4.49 135.00 123.40 2eej n PRO 8 Ca 0.00 -1.62 -0.11 0.00 -0.04 0.00 0.00 63.50 61.73 2eej n PRO 8 Cb 0.00 -1.52 -0.11 0.00 -0.04 0.00 0.00 33.50 31.84 2eej n PRO 8 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2eej s LYS 9 N -5.30 0.71 -0.24 0.54 -2.85 -0.92 -4.94 119.74 106.73 2eej s LYS 9 Ca 0.66 -1.12 -0.06 0.00 -1.00 0.00 0.00 55.97 54.45 2eej s LYS 9 Cb -0.06 -0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.48 2eej s LYS 9 CO 0.50 -0.00 0.02 -1.17 0.10 0.00 0.00 175.35 174.81 2eej s LEU 10 N -2.50 3.27 -0.21 2.77 1.98 -1.26 -3.30 118.68 119.42 2eej s LEU 10 Ca 0.04 -0.37 0.01 0.00 -2.89 0.00 0.00 54.13 50.92 2eej s LEU 10 Cb -0.00 -1.84 0.05 0.00 0.66 0.00 0.00 46.19 45.06 2eej s LEU 10 CO -0.03 -0.05 -0.10 0.00 -1.89 0.00 0.00 176.35 174.27 2eej s ARG 12 N 1.34 4.59 0.05 0.00 0.52 -1.26 -4.00 118.95 120.18 2eej s ARG 12 Ca -0.03 1.34 0.03 0.00 -0.52 0.00 0.00 55.73 56.55 2eej s ARG 12 Cb -0.17 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 2eej s ARG 12 CO -0.08 0.08 0.03 -0.51 0.02 0.00 0.00 175.30 174.84 2eej s LEU 13 N 0.55 3.61 -0.20 2.53 1.43 -1.11 -4.94 118.68 120.56 2eej s LEU 13 Ca 0.48 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 2eej s LEU 13 Cb -0.21 -2.23 0.06 0.00 0.03 0.00 0.00 46.19 43.83 2eej s LEU 13 CO 0.27 0.21 0.05 0.00 0.23 0.00 0.00 176.35 177.12 2eej s ALA 14 N -1.26 0.86 -0.35 4.21 0.00 -1.26 -3.33 121.76 120.64 2eej s ALA 14 Ca 0.25 -0.65 -0.37 0.00 0.00 0.00 0.00 51.96 51.19 2eej s ALA 14 Cb -0.12 -1.17 -0.13 0.00 0.00 0.00 0.00 23.12 21.71 2eej s ALA 14 CO 0.17 -1.21 2.12 1.17 0.00 0.00 0.00 175.76 178.01 2eej n LYS 15 N 5.11 1.02 -0.00 0.00 4.81 -0.69 -4.84 118.16 123.56 2eej n LYS 15 Ca -0.08 0.30 -0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2eej n LYS 15 Cb 0.47 -2.33 -0.00 0.00 0.02 0.00 0.00 35.03 33.19 2eej n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2eej n GLY 16 N 6.31 -0.50 3.30 3.14 0.00 -1.26 -4.98 105.19 111.19 2eej n GLY 16 Ca 0.40 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 2eej n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2eej s GLU 17 N -1.00 0.51 -1.36 1.61 -1.05 -1.26 -4.91 118.70 111.23 2eej s GLU 17 Ca -0.00 0.49 -0.09 0.00 -0.15 0.00 0.00 54.97 55.22 2eej s GLU 17 Cb 0.00 0.24 0.01 0.00 -0.44 0.00 0.00 34.13 33.95 2eej s GLU 17 CO 0.00 -0.07 1.16 -1.71 0.95 0.00 0.00 175.26 175.59 2eej n ASN 18 N 2.68 -6.00 -1.32 0.83 2.85 -1.26 -4.72 115.26 108.31 2eej n ASN 18 Ca -0.14 -0.56 0.18 0.00 -0.11 0.00 0.00 54.58 53.95 2eej n ASN 18 Cb 0.57 -4.97 -0.05 0.00 1.24 0.00 0.00 39.78 36.57 2eej n ASN 18 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eej n GLY 19 N -1.94 -2.05 3.63 8.20 0.00 -1.26 -4.61 105.19 107.16 2eej n GLY 19 Ca -0.01 -1.17 -0.45 0.00 0.00 0.00 0.00 46.02 44.39 2eej n GLY 19 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2eej n TYR 20 N -4.02 2.22 -0.42 1.61 4.01 -1.26 -4.70 117.16 114.60 2eej n TYR 20 Ca -0.00 -0.15 0.36 0.00 -0.16 0.00 0.00 57.90 57.94 2eej n TYR 20 Cb 0.61 -2.72 0.63 0.00 -0.31 0.00 0.00 39.34 37.54 2eej n TYR 20 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2eej h GLY 21 N 11.85 1.56 -1.41 2.72 0.00 -1.85 -3.39 103.07 112.56 2eej h GLY 21 Ca -0.45 -0.13 -0.47 0.00 0.00 0.00 0.00 47.33 46.29 2eej h GLY 21 CO 0.96 -0.50 0.18 -0.11 0.00 0.00 0.00 176.54 177.07 2eej s PHE 22 N -5.36 3.09 0.35 5.60 -0.71 -1.26 -3.79 117.98 115.90 2eej s PHE 22 Ca -0.08 0.52 0.03 0.00 -1.04 0.00 0.00 56.93 56.36 2eej s PHE 22 Cb 0.31 -2.92 -0.01 0.00 -1.21 0.00 0.00 43.02 39.18 2eej s PHE 22 CO 0.81 -1.07 0.40 -1.01 -1.34 0.00 0.00 175.22 173.02 2eej s HIS 23 N -3.08 1.44 0.10 3.49 3.76 0.20 -4.92 115.29 116.29 2eej s HIS 23 Ca 0.57 -1.51 0.08 0.00 -0.15 0.00 0.00 55.06 54.05 2eej s HIS 23 Cb -0.11 -0.38 -0.04 0.00 1.11 0.00 0.00 32.58 33.17 2eej s HIS 23 CO 0.44 -1.05 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.61 2eej s LEU 24 N -3.32 2.76 -0.09 0.89 1.02 -1.26 -0.05 118.68 118.62 2eej s LEU 24 Ca 0.35 -0.50 -0.01 0.00 0.02 0.00 0.00 54.13 54.00 2eej s LEU 24 Cb 0.00 -1.60 0.03 0.00 0.02 0.00 0.00 46.19 44.64 2eej s LEU 24 CO 0.25 0.19 -0.05 0.21 0.02 0.00 0.00 176.35 176.98 2eej s ASN 25 N -2.03 1.83 -0.73 2.29 2.47 -0.98 -4.89 114.94 112.91 2eej s ASN 25 Ca 0.18 -0.20 -0.26 0.00 0.42 0.00 0.00 52.86 53.00 2eej s ASN 25 Cb -0.11 -0.65 -0.01 0.00 -1.45 0.00 0.00 41.25 39.03 2eej s ASN 25 CO 0.10 -0.14 1.71 0.00 -3.72 0.00 0.00 177.10 175.05 2eej s ALA 26 N 1.70 2.26 0.23 1.71 0.00 -1.26 -4.00 121.76 122.40 2eej s ALA 26 Ca 0.03 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 2eej s ALA 26 Cb -0.13 -4.36 -0.07 0.00 0.00 0.00 0.00 23.12 18.56 2eej s ALA 26 CO -0.06 -3.90 0.55 0.42 0.00 0.00 0.00 175.76 172.77 2eej s ILE 27 N 8.14 4.92 -0.91 0.00 1.01 -1.26 -5.04 121.20 128.06 2eej s ILE 27 Ca 0.58 0.50 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 2eej s ILE 27 Cb -0.09 -3.62 0.24 0.00 0.01 0.00 0.00 42.46 38.99 2eej s ILE 27 CO 0.13 -0.06 0.89 0.54 0.00 0.00 0.00 174.94 176.44 2eej n ARG 28 N -0.10 2.92 0.00 2.79 5.12 -1.26 -4.53 116.66 121.61 2eej n ARG 28 Ca 0.00 -4.51 0.00 0.00 -1.93 0.00 0.00 57.85 51.41 2eej n ARG 28 Cb 0.52 -2.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.40 2eej n ARG 28 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2eej n GLY 29 N 2.05 0.06 3.09 -0.13 0.00 -1.26 -5.14 105.19 103.86 2eej n GLY 29 Ca 0.23 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 2eej n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 30 N -1.11 2.13 0.50 0.99 1.43 -1.26 -5.14 118.68 116.21 2eej s LEU 30 Ca 0.00 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 52.52 2eej s LEU 30 Cb 0.00 -0.50 -0.07 0.00 0.03 0.00 0.00 46.19 45.65 2eej s LEU 30 CO 0.00 0.03 1.15 -2.16 0.23 0.00 0.00 176.35 175.60 2eej s PRO 31 N -0.87 3.57 0.00 1.29 0.04 -1.26 -4.85 135.00 132.92 2eej s PRO 31 Ca 0.01 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2eej s PRO 31 Cb -0.07 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2eej s PRO 31 CO 0.01 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2eej n GLY 32 N 0.31 -1.24 3.09 0.56 0.00 -1.19 -5.03 105.19 101.69 2eej n GLY 32 Ca 0.09 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 2eej n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eej n SER 33 N -0.63 -3.59 -3.79 1.61 3.41 -1.26 -4.88 113.62 104.49 2eej n SER 33 Ca 0.00 -0.91 -0.13 0.00 -0.26 0.00 0.00 58.87 57.58 2eej n SER 33 Cb 0.00 -0.95 -0.10 0.00 -0.26 0.00 0.00 64.21 62.90 2eej n SER 33 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2eej s PHE 34 N -2.25 -0.21 0.02 7.33 0.40 -1.26 -3.85 117.98 118.16 2eej s PHE 34 Ca 0.65 0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 57.15 2eej s PHE 34 Cb -0.10 0.07 -0.04 0.00 0.51 0.00 0.00 43.02 43.46 2eej s PHE 34 CO 0.53 -0.22 1.13 0.42 0.70 0.00 0.00 175.22 177.77 2eej s ILE 35 N -0.45 4.34 0.09 0.64 1.01 -0.65 -2.33 121.20 123.86 2eej s ILE 35 Ca -0.06 1.68 -0.12 0.00 0.00 0.00 0.00 60.65 62.15 2eej s ILE 35 Cb -0.04 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.37 2eej s ILE 35 CO 0.01 0.11 0.28 -0.75 0.00 0.00 0.00 174.94 174.59 2eej s LYS 36 N 1.24 0.91 -1.14 2.79 2.20 0.93 -3.97 119.74 122.70 2eej s LYS 36 Ca 0.56 -0.79 -0.07 0.00 -0.36 0.00 0.00 55.97 55.31 2eej s LYS 36 Cb -0.26 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.46 2eej s LYS 36 CO 0.27 -0.32 1.00 0.39 -0.36 0.00 0.00 175.35 176.33 2eej n GLU 37 N -0.00 -6.69 -3.09 4.03 1.02 -1.26 0.59 120.64 115.24 2eej n GLU 37 Ca -0.16 0.71 -0.43 0.00 -0.02 0.00 0.00 57.16 57.26 2eej n GLU 37 Cb 0.62 -5.39 -0.06 0.00 -0.02 0.00 0.00 31.44 26.59 2eej n GLU 37 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2eej s VAL 38 N -3.28 4.82 0.87 2.62 0.11 -1.26 -3.99 120.40 120.30 2eej s VAL 38 Ca 0.45 0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 59.69 2eej s VAL 38 Cb -0.20 -4.18 0.12 0.00 -1.53 0.00 0.00 36.38 30.59 2eej s VAL 38 CO 0.62 -0.53 1.16 -1.58 -3.33 0.00 0.00 175.10 171.45 2eej s GLN 39 N 2.85 1.28 -0.27 1.54 2.00 -1.25 -4.93 119.66 120.88 2eej s GLN 39 Ca 0.24 1.59 -0.18 0.00 -2.00 0.00 0.00 55.36 55.01 2eej s GLN 39 Cb -0.14 -1.75 -0.02 0.00 0.80 0.00 0.00 33.01 31.89 2eej s GLN 39 CO 0.18 -2.45 0.54 0.21 -0.50 0.00 0.00 175.29 173.27 2eej s LYS 40 N -4.51 4.04 0.00 1.67 2.47 -1.26 -4.09 119.74 118.07 2eej s LYS 40 Ca 0.68 0.32 0.00 0.00 -1.56 0.00 0.00 55.97 55.41 2eej s LYS 40 Cb -0.24 -3.67 0.00 0.00 -1.46 0.00 0.00 37.83 32.46 2eej s LYS 40 CO 0.55 -0.39 0.00 0.41 0.16 0.00 0.00 175.35 176.08 2eej n GLY 41 N 4.39 1.26 0.00 5.54 0.00 -1.26 -5.06 105.19 110.06 2eej n GLY 41 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2eej n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eej n GLY 42 N -0.69 7.33 0.20 -0.02 0.00 -1.26 -4.84 105.19 105.92 2eej n GLY 42 Ca 0.00 -1.99 -0.05 0.00 0.00 0.00 0.00 46.02 43.99 2eej n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej h PRO 43 N 0.00 0.36 0.21 1.61 0.13 -1.91 0.46 132.00 132.85 2eej h PRO 43 Ca 0.00 -0.19 -0.32 0.00 -0.87 0.00 0.00 66.00 64.62 2eej h PRO 43 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.16 2eej h PRO 43 CO 0.00 0.74 -1.51 0.00 -0.23 0.00 0.00 178.00 177.01 2eej h ALA 44 N 1.23 -0.01 0.24 -0.56 0.00 -1.96 -3.28 119.26 114.92 2eej h ALA 44 Ca 0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 2eej h ALA 44 Cb 0.91 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2eej h ALA 44 CO 0.08 0.79 -0.11 0.22 0.00 0.00 0.00 179.25 180.22 2eej h ASP 45 N 0.03 -0.27 -0.91 0.00 1.82 -1.74 0.40 116.42 115.75 2eej h ASP 45 Ca -0.28 -0.26 0.25 0.00 -0.39 0.00 0.00 57.03 56.35 2eej h ASP 45 Cb 2.05 0.07 -0.16 0.00 0.68 0.00 0.00 39.33 41.97 2eej h ASP 45 CO 0.21 0.21 0.13 -0.07 -1.61 0.00 0.00 179.24 178.11 2eej h LEU 46 N -0.86 -0.24 -0.61 2.28 3.38 -1.08 0.55 115.31 118.73 2eej h LEU 46 Ca -0.03 0.24 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2eej h LEU 46 Cb 0.51 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2eej h LEU 46 CO 0.05 -0.26 0.13 0.00 0.09 0.00 0.00 178.44 178.45 2eej h ALA 47 N 1.87 0.80 0.00 1.53 0.00 -1.62 -3.47 119.26 118.37 2eej h ALA 47 Ca 0.57 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2eej h ALA 47 Cb 1.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2eej h ALA 47 CO -0.78 0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.42 2eej n GLY 48 N -0.60 1.04 3.90 0.00 0.00 0.19 -5.04 105.19 104.68 2eej n GLY 48 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2eej n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 49 N 0.00 4.34 0.00 0.99 1.43 0.10 -5.01 118.68 120.53 2eej s LEU 49 Ca 0.00 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2eej s LEU 49 Cb 0.00 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 2eej s LEU 49 CO 0.00 0.16 0.07 -0.62 0.23 0.00 0.00 176.35 176.19 2eej n GLU 50 N 0.48 0.81 -0.26 1.70 4.71 -1.26 -4.52 120.64 122.30 2eej n GLU 50 Ca -0.06 -1.85 -0.04 0.00 -0.01 0.00 0.00 57.16 55.21 2eej n GLU 50 Cb 0.52 0.95 0.05 0.00 -1.01 0.00 0.00 31.44 31.95 2eej n GLU 50 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2eej n ASP 51 N -1.71 2.89 0.00 1.62 2.03 -1.26 -3.45 116.55 116.67 2eej n ASP 51 Ca -0.04 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 52.95 2eej n ASP 51 Cb 0.33 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2eej n GLU 52 N 0.13 1.66 -1.48 -0.67 1.02 -1.26 -4.82 120.64 115.23 2eej n GLU 52 Ca 0.12 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.87 2eej n GLU 52 Cb 0.69 -0.75 0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2eej n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2eej n ASP 53 N -1.36 -0.85 -4.07 1.62 8.00 -1.22 -4.74 116.55 113.93 2eej n ASP 53 Ca 0.00 0.79 -0.25 0.00 0.71 0.00 0.00 54.79 56.04 2eej n ASP 53 Cb 0.25 -1.18 -0.16 0.00 -0.02 0.00 0.00 41.12 40.01 2eej n ASP 53 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2eej s VAL 54 N -1.65 1.21 -0.77 2.53 -7.23 -1.26 -1.63 120.40 111.60 2eej s VAL 54 Ca 0.68 -0.57 -0.26 0.00 -1.81 0.00 0.00 61.98 60.02 2eej s VAL 54 Cb -0.48 -1.07 -0.00 0.00 0.56 0.00 0.00 36.38 35.39 2eej s VAL 54 CO 0.55 0.36 1.68 -0.63 -0.31 0.00 0.00 175.10 176.75 2eej s ILE 55 N 0.31 3.55 -0.04 -0.62 1.09 -1.25 -4.02 121.20 120.23 2eej s ILE 55 Ca -0.08 -0.03 -0.13 0.00 -1.10 0.00 0.00 60.65 59.31 2eej s ILE 55 Cb -0.13 -4.37 -0.07 0.00 -1.06 0.00 0.00 42.46 36.84 2eej s ILE 55 CO 0.03 -1.31 0.57 0.40 -0.10 0.00 0.00 174.94 174.53 2eej h ILE 56 N 6.75 0.00 -1.52 2.92 2.04 -0.60 -3.42 117.51 123.68 2eej h ILE 56 Ca -0.11 -0.56 -0.63 0.00 1.00 0.00 0.00 64.86 64.56 2eej h ILE 56 Cb 1.07 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.02 2eej h ILE 56 CO 1.26 0.00 -0.59 -1.61 0.00 0.00 0.00 178.15 177.21 2eej s GLU 57 N -3.07 1.98 -0.21 2.37 2.02 -1.24 -3.06 118.70 117.50 2eej s GLU 57 Ca -0.07 -2.14 -0.16 0.00 0.02 0.00 0.00 54.97 52.62 2eej s GLU 57 Cb 0.01 -1.61 0.06 0.00 0.10 0.00 0.00 34.13 32.69 2eej s GLU 57 CO 0.20 -0.09 0.53 0.54 0.02 0.00 0.00 175.26 176.46 2eej s VAL 58 N -2.75 -0.01 -0.76 2.63 0.11 -0.71 -3.09 120.40 115.82 2eej s VAL 58 Ca 0.31 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 2eej s VAL 58 Cb 0.09 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2eej s VAL 58 CO 0.16 0.01 0.00 0.59 -3.33 0.00 0.00 175.10 172.53 2eej n ASN 59 N 3.44 -3.06 -1.97 3.54 3.02 -1.12 -2.04 115.26 117.07 2eej n ASN 59 Ca -0.17 0.28 -0.03 0.00 -0.03 0.00 0.00 54.58 54.63 2eej n ASN 59 Cb 0.56 -2.66 0.01 0.00 -0.61 0.00 0.00 39.78 37.09 2eej n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eej n GLY 60 N -0.70 0.05 3.59 7.41 0.00 -1.26 -5.07 105.19 109.20 2eej n GLY 60 Ca -0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2eej n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eej s VAL 61 N -3.07 0.00 -0.38 1.61 0.11 -0.87 -5.13 120.40 112.67 2eej s VAL 61 Ca 0.09 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.89 2eej s VAL 61 Cb -0.01 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2eej s VAL 61 CO 0.21 0.00 0.85 0.21 -3.33 0.00 0.00 175.10 173.04 2eej s ASN 62 N -0.90 6.60 -0.15 3.54 3.84 -1.26 -1.74 114.94 124.87 2eej s ASN 62 Ca -0.01 0.41 0.15 0.00 0.21 0.00 0.00 52.86 53.62 2eej s ASN 62 Cb -0.01 -2.43 0.34 0.00 -0.55 0.00 0.00 41.25 38.60 2eej s ASN 62 CO 0.00 -0.82 1.17 1.33 -2.79 0.00 0.00 177.10 176.00 2eej n VAL 63 N 5.93 1.78 0.14 -5.21 0.24 -1.17 -4.81 118.33 115.23 2eej n VAL 63 Ca 0.05 -2.46 -0.13 0.00 -2.04 0.00 0.00 64.34 59.76 2eej n VAL 63 Cb 0.48 -0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.68 2eej n VAL 63 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2eej h LEU 64 N 0.49 -0.57 -0.57 1.34 3.38 -1.85 -2.81 115.31 114.71 2eej h LEU 64 Ca -0.01 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2eej h LEU 64 Cb 1.08 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2eej h LEU 64 CO 0.01 -0.31 -0.11 0.44 0.09 0.00 0.00 178.44 178.56 2eej h ASP 65 N -0.44 1.03 -1.48 -0.43 5.19 -1.93 -3.15 116.42 115.21 2eej h ASP 65 Ca 0.01 -0.34 -0.64 0.00 -0.62 0.00 0.00 57.03 55.43 2eej h ASP 65 Cb 0.43 -0.28 0.14 0.00 0.18 0.00 0.00 39.33 39.79 2eej h ASP 65 CO -0.07 1.14 -0.72 -0.62 -3.12 0.00 0.00 179.24 175.85 2eej n GLU 66 N -4.14 0.07 -1.18 3.56 -0.58 -1.06 -4.83 120.64 112.48 2eej n GLU 66 Ca 0.02 0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.49 2eej n GLU 66 Cb 0.40 -1.06 0.16 0.00 -0.57 0.00 0.00 31.44 30.38 2eej n GLU 66 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2eej s PRO 67 N -1.06 0.74 0.35 3.49 0.04 -1.26 -4.61 135.00 132.69 2eej s PRO 67 Ca 0.61 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.32 2eej s PRO 67 Cb -0.75 -1.76 0.63 0.00 0.04 0.00 0.00 34.50 32.65 2eej s PRO 67 CO 0.60 -2.55 1.97 -0.92 0.04 0.00 0.00 177.00 176.14 2eej h TYR 68 N -1.76 0.72 -0.17 0.56 3.20 -1.96 0.00 116.97 117.57 2eej h TYR 68 Ca -0.53 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.23 2eej h TYR 68 Cb 1.31 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2eej h TYR 68 CO 0.34 0.51 -0.34 0.93 -1.64 0.00 0.00 178.16 177.96 2eej h GLU 69 N 0.75 0.34 0.01 1.82 5.08 -1.99 -1.09 114.58 119.50 2eej h GLU 69 Ca 0.19 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2eej h GLU 69 Cb 0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2eej h GLU 69 CO -0.03 0.65 -0.00 0.87 -1.00 0.00 0.00 179.01 179.49 2eej h LYS 70 N 0.29 -0.01 -0.21 2.33 1.79 -1.69 -2.49 116.57 116.58 2eej h LYS 70 Ca 0.03 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2eej h LYS 70 Cb 0.75 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.39 2eej h LYS 70 CO 0.06 0.78 0.10 -0.39 -1.08 0.00 0.00 179.45 178.92 2eej h VAL 71 N -0.83 0.99 0.11 0.50 -1.51 -1.04 -1.90 116.25 112.57 2eej h VAL 71 Ca -0.00 -0.07 -0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2eej h VAL 71 Cb 0.79 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2eej h VAL 71 CO 0.00 0.04 -0.06 1.62 -1.23 0.00 0.00 177.57 177.94 2eej h VAL 72 N 0.21 0.87 -0.97 7.19 3.04 -1.32 -2.13 116.25 123.14 2eej h VAL 72 Ca 0.09 0.00 0.18 0.00 -1.01 0.00 0.00 66.70 65.96 2eej h VAL 72 Cb 0.03 0.87 -0.09 0.00 -2.01 0.00 0.00 31.29 30.08 2eej h VAL 72 CO -0.06 0.00 0.61 0.44 -1.01 0.00 0.00 177.57 177.55 2eej h ASP 73 N -0.17 0.71 -0.47 3.17 5.19 -1.28 0.26 116.42 123.84 2eej h ASP 73 Ca -0.01 0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.37 2eej h ASP 73 Cb 0.14 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2eej h ASP 73 CO 0.02 0.29 -0.07 0.03 -3.12 0.00 0.00 179.24 176.38 2eej h ARG 74 N 0.71 0.92 -0.07 3.56 3.08 -0.88 0.23 114.38 121.94 2eej h ARG 74 Ca 0.53 -0.31 -0.20 0.00 0.07 0.00 0.00 59.98 60.08 2eej h ARG 74 Cb 0.89 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 2eej h ARG 74 CO -0.30 0.96 -0.78 0.82 -1.07 0.00 0.00 179.97 179.60 2eej h ILE 75 N 0.84 1.37 -0.04 2.04 2.04 -0.25 -1.92 117.51 121.58 2eej h ILE 75 Ca 0.14 -2.18 -0.11 0.00 1.00 0.00 0.00 64.86 63.71 2eej h ILE 75 Cb 0.59 2.16 0.01 0.00 -0.74 0.00 0.00 36.82 38.84 2eej h ILE 75 CO 0.04 0.66 -0.41 1.56 0.00 0.00 0.00 178.15 179.99 2eej h GLN 76 N 0.30 0.35 -0.20 2.37 4.20 -0.45 -3.25 115.11 118.43 2eej h GLN 76 Ca -0.04 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.27 2eej h GLN 76 Cb 1.38 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 2eej h GLN 76 CO 0.14 0.99 -0.17 1.03 -0.67 0.00 0.00 178.83 180.15 2eej h SER 77 N -0.17 0.33 -1.65 1.46 0.87 -0.61 -2.98 113.55 110.80 2eej h SER 77 Ca -0.04 -0.09 0.48 0.00 -1.23 0.00 0.00 61.79 60.91 2eej h SER 77 Cb 1.10 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.91 2eej h SER 77 CO 0.08 0.53 1.19 -1.54 -0.53 0.00 0.00 176.83 176.56 2eej n SER 78 N -4.21 0.00 0.00 6.23 3.41 -0.72 -4.81 113.62 113.52 2eej n SER 78 Ca -0.00 0.83 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 2eej n SER 78 Cb 0.32 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2eej n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eej n GLY 79 N -1.77 0.98 0.56 5.00 0.00 -1.13 -4.52 105.19 104.32 2eej n GLY 79 Ca 0.37 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2eej n GLY 79 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2eej n LYS 80 N 0.00 0.28 -3.65 1.61 2.85 -1.26 -4.95 118.16 113.04 2eej n LYS 80 Ca 0.00 0.12 -0.36 0.00 -1.05 0.00 0.00 58.31 57.02 2eej n LYS 80 Cb 0.00 -0.98 -0.06 0.00 -0.65 0.00 0.00 35.03 33.34 2eej n LYS 80 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2eej s ASN 81 N -6.10 6.61 -0.10 -5.58 0.02 -1.26 -1.71 114.94 106.83 2eej s ASN 81 Ca -0.17 0.73 -0.26 0.00 -1.02 0.00 0.00 52.86 52.14 2eej s ASN 81 Cb 0.05 -2.16 0.06 0.00 0.02 0.00 0.00 41.25 39.22 2eej s ASN 81 CO 0.23 0.28 0.60 0.54 0.02 0.00 0.00 177.10 178.78 2eej s VAL 82 N -1.20 0.01 -0.21 1.60 0.11 -1.21 -4.88 120.40 114.62 2eej s VAL 82 Ca 0.25 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.17 2eej s VAL 82 Cb -0.14 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 2eej s VAL 82 CO 0.14 -0.05 0.01 -0.89 -3.33 0.00 0.00 175.10 170.98 2eej s THR 83 N -0.79 4.04 -0.05 5.04 2.01 -1.26 -2.77 115.64 121.85 2eej s THR 83 Ca -0.08 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.68 2eej s THR 83 Cb -0.02 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 2eej s THR 83 CO 0.06 0.42 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.46 2eej s LEU 84 N 1.04 1.96 -0.28 4.42 1.43 -1.26 -2.77 118.68 123.22 2eej s LEU 84 Ca 0.02 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2eej s LEU 84 Cb -0.14 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 2eej s LEU 84 CO 0.02 0.18 0.12 -0.22 0.23 0.00 0.00 176.35 176.68 2eej s LEU 85 N 0.01 3.83 0.21 1.79 0.20 -1.18 -3.77 118.68 119.77 2eej s LEU 85 Ca -0.05 -0.37 0.08 0.00 0.69 0.00 0.00 54.13 54.48 2eej s LEU 85 Cb -0.13 -1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.62 2eej s LEU 85 CO 0.03 -0.12 0.02 0.68 -0.29 0.00 0.00 176.35 176.67 2eej s VAL 86 N 1.62 3.72 -0.13 1.68 -7.23 -1.21 0.22 120.40 119.07 2eej s VAL 86 Ca 0.05 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2eej s VAL 86 Cb -0.16 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 2eej s VAL 86 CO 0.05 -0.22 -0.13 0.00 -0.31 0.00 0.00 175.10 174.49 2eej n GLY 88 N 3.49 -1.04 3.26 0.00 0.00 -1.26 -4.72 105.19 104.92 2eej n GLY 88 Ca -0.18 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2eej n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2eej s LYS 89 N -1.48 0.33 -0.24 1.61 2.36 -1.26 -5.06 119.74 116.00 2eej s LYS 89 Ca 0.62 0.98 0.02 0.00 -2.55 0.00 0.00 55.97 55.04 2eej s LYS 89 Cb -0.70 0.25 0.06 0.00 -1.05 0.00 0.00 37.83 36.39 2eej s LYS 89 CO 0.58 -0.23 -0.09 0.15 1.55 0.00 0.00 175.35 177.31 2eej s LYS 90 N 2.37 2.01 -0.17 4.03 3.01 -1.26 -5.02 119.74 124.71 2eej s LYS 90 Ca -0.03 -1.17 -0.37 0.00 -1.01 0.00 0.00 55.97 53.39 2eej s LYS 90 Cb -0.11 -2.74 -0.17 0.00 -1.01 0.00 0.00 37.83 33.80 2eej s LYS 90 CO -0.13 -0.56 1.10 0.43 0.51 0.00 0.00 175.35 176.70 2eej n SER 91 N 4.54 0.41 -4.78 2.83 7.64 -1.26 -4.92 113.62 118.09 2eej n SER 91 Ca -0.13 1.00 -0.32 0.00 1.01 0.00 0.00 58.87 60.42 2eej n SER 91 Cb 0.43 -0.77 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 2eej n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2eej s GLY 92 N 1.04 2.01 0.00 0.23 0.00 -1.26 -4.98 107.32 104.36 2eej s GLY 92 Ca 0.82 -0.90 0.16 0.00 0.00 0.00 0.00 44.72 44.80 2eej s GLY 92 CO 0.57 -0.80 1.35 -1.55 0.00 0.00 0.00 173.10 172.68 2eej n PRO 93 N 1.06 0.49 -1.10 2.90 -0.04 -1.26 -4.80 135.00 132.24 2eej n PRO 93 Ca -0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.04 2eej n PRO 93 Cb 0.52 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.65 2eej n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eej s SER 94 N -2.00 2.96 -0.45 3.54 0.15 -1.26 -4.83 113.70 111.80 2eej s SER 94 Ca 0.24 1.44 -0.32 0.00 0.70 0.00 0.00 55.95 58.01 2eej s SER 94 Cb 0.11 -2.12 -0.11 0.00 -1.71 0.00 0.00 66.02 62.19 2eej s SER 94 CO 0.18 -2.96 2.31 -0.24 1.20 0.00 0.00 173.24 173.73 2eej n SER 95 N -4.09 1.99 -0.03 5.45 2.88 -1.26 -5.23 113.62 113.33 2eej n SER 95 Ca 0.06 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2eej n SER 95 Cb 0.55 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 2eej n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42