#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eej n SER 2 N 0.00 -2.16 -4.50 1.61 3.41 -1.26 -4.89 113.62 105.83 2eej n SER 2 Ca 0.00 0.11 -0.43 0.00 -0.26 0.00 0.00 58.87 58.29 2eej n SER 2 Cb 0.00 -1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 62.81 2eej n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2eej s SER 3 N -1.96 6.31 -0.38 4.04 0.01 -1.26 -4.84 113.70 115.62 2eej s SER 3 Ca 0.57 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 57.35 2eej s SER 3 Cb -0.17 -2.41 0.29 0.00 0.21 0.00 0.00 66.02 63.94 2eej s SER 3 CO 0.67 -1.17 1.20 0.61 0.41 0.00 0.00 173.24 174.95 2eej n GLY 4 N 5.14 -0.92 2.84 3.44 0.00 -1.26 -5.14 105.19 109.29 2eej n GLY 4 Ca -0.00 0.63 -0.15 0.00 0.00 0.00 0.00 46.02 46.49 2eej n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej s SER 5 N -0.69 0.22 -1.16 1.61 0.01 -1.26 -5.08 113.70 107.34 2eej s SER 5 Ca 0.25 0.22 -0.11 0.00 1.31 0.00 0.00 55.95 57.62 2eej s SER 5 Cb 0.25 0.11 0.23 0.00 0.21 0.00 0.00 66.02 66.82 2eej s SER 5 CO -0.14 -0.17 1.30 -1.20 0.41 0.00 0.00 173.24 173.43 2eej n SER 6 N 4.52 5.44 -3.36 2.44 7.64 -1.26 -4.80 113.62 124.24 2eej n SER 6 Ca -0.20 -3.04 -0.26 0.00 1.01 0.00 0.00 58.87 56.38 2eej n SER 6 Cb 0.51 -1.45 0.03 0.00 -1.01 0.00 0.00 64.21 62.28 2eej n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eej n GLY 7 N 3.17 0.13 1.36 0.23 0.00 -1.26 -4.62 105.19 104.21 2eej n GLY 7 Ca 0.30 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.96 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 0.32 -1.85 -4.18 1.61 -0.04 -1.26 -4.62 135.00 124.98 2eej n PRO 8 Ca -0.06 -0.68 -0.17 0.00 -0.04 0.00 0.00 63.50 62.56 2eej n PRO 8 Cb 0.61 -0.64 -0.12 0.00 -0.04 0.00 0.00 33.50 33.31 2eej n PRO 8 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2eej s LYS 9 N -3.96 0.71 -0.39 0.54 3.01 0.82 -4.96 119.74 115.50 2eej s LYS 9 Ca 0.28 -0.77 -0.10 0.00 -1.01 0.00 0.00 55.97 54.37 2eej s LYS 9 Cb -0.03 -0.63 0.05 0.00 -1.01 0.00 0.00 37.83 36.22 2eej s LYS 9 CO 0.21 0.14 0.22 -1.17 0.51 0.00 0.00 175.35 175.27 2eej s LEU 10 N -1.39 4.90 -0.07 3.17 1.98 -1.26 -3.06 118.68 122.95 2eej s LEU 10 Ca -0.04 -1.26 0.04 0.00 -2.89 0.00 0.00 54.13 49.99 2eej s LEU 10 Cb -0.09 -1.99 -0.02 0.00 0.66 0.00 0.00 46.19 44.76 2eej s LEU 10 CO 0.01 -0.46 -0.20 0.00 -1.89 0.00 0.00 176.35 173.81 2eej s ARG 12 N -0.23 3.94 0.13 0.00 0.52 -1.26 -3.39 118.95 118.65 2eej s ARG 12 Ca -0.00 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 54.86 2eej s ARG 12 Cb -0.13 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 2eej s ARG 12 CO 0.03 0.21 0.28 -0.51 0.02 0.00 0.00 175.30 175.33 2eej s LEU 13 N 0.55 4.33 -0.16 2.53 1.43 -0.52 -4.84 118.68 122.00 2eej s LEU 13 Ca 0.03 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2eej s LEU 13 Cb -0.13 -2.98 0.05 0.00 0.03 0.00 0.00 46.19 43.16 2eej s LEU 13 CO 0.01 0.07 0.03 0.00 0.23 0.00 0.00 176.35 176.70 2eej s ALA 14 N -1.69 0.86 -0.05 4.21 0.00 -1.26 -2.73 121.76 121.10 2eej s ALA 14 Ca 0.35 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 2eej s ALA 14 Cb -0.12 -1.06 -0.07 0.00 0.00 0.00 0.00 23.12 21.88 2eej s ALA 14 CO 0.28 -1.00 1.96 0.21 0.00 0.00 0.00 175.76 177.21 2eej s LYS 15 N 1.92 3.91 0.00 0.00 2.20 0.03 -4.68 119.74 123.12 2eej s LYS 15 Ca 0.01 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 2eej s LYS 15 Cb -0.16 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 31.99 2eej s LYS 15 CO -0.07 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.12 2eej n GLY 16 N 4.76 1.06 0.06 5.54 0.00 -1.26 -4.95 105.19 110.40 2eej n GLY 16 Ca 0.22 -0.81 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 2eej n GLY 16 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2eej h GLU 17 N 0.00 0.00 -1.86 1.61 3.07 -2.03 -3.36 114.58 112.01 2eej h GLU 17 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 2eej h GLU 17 Cb 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.78 2eej h GLU 17 CO 0.00 0.19 0.19 0.09 -1.40 0.00 0.00 179.01 178.09 2eej n ASN 18 N -4.70 6.10 -0.22 1.42 3.02 -1.26 -4.99 115.26 114.62 2eej n ASN 18 Ca -0.05 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 2eej n ASN 18 Cb 0.16 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 2eej n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eej n GLY 19 N 1.13 0.34 3.74 7.41 0.00 -1.26 -4.60 105.19 111.95 2eej n GLY 19 Ca 0.37 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2eej n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2eej s TYR 20 N 0.00 3.32 0.00 1.61 2.02 -1.26 -4.00 117.35 119.05 2eej s TYR 20 Ca 0.00 1.28 -0.23 0.00 -0.37 0.00 0.00 57.07 57.75 2eej s TYR 20 Cb 0.00 -3.54 -0.18 0.00 -0.40 0.00 0.00 41.96 37.84 2eej s TYR 20 CO 0.00 -1.64 1.27 0.78 -1.57 0.00 0.00 175.55 174.39 2eej h GLY 21 N 5.46 0.21 -1.10 0.71 0.00 -1.92 -3.45 103.07 102.98 2eej h GLY 21 Ca -0.44 -0.23 -0.49 0.00 0.00 0.00 0.00 47.33 46.17 2eej h GLY 21 CO 0.77 0.21 0.31 -0.11 0.00 0.00 0.00 176.54 177.72 2eej s PHE 22 N -4.13 2.68 0.33 5.60 -0.71 -1.25 -4.33 117.98 116.17 2eej s PHE 22 Ca -0.15 1.23 0.07 0.00 -1.04 0.00 0.00 56.93 57.04 2eej s PHE 22 Cb 0.03 -3.11 -0.03 0.00 -1.21 0.00 0.00 43.02 38.70 2eej s PHE 22 CO 0.72 -1.93 0.28 -1.01 -1.34 0.00 0.00 175.22 171.94 2eej s HIS 23 N -3.07 1.77 0.17 3.49 3.76 0.44 -4.93 115.29 116.92 2eej s HIS 23 Ca 0.61 -1.66 0.10 0.00 -0.15 0.00 0.00 55.06 53.97 2eej s HIS 23 Cb -0.16 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.76 2eej s HIS 23 CO 0.55 -0.86 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.88 2eej s LEU 24 N -3.38 2.63 -0.06 0.89 1.02 -1.26 -1.07 118.68 117.44 2eej s LEU 24 Ca 0.40 -0.72 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 2eej s LEU 24 Cb 0.02 -1.38 0.04 0.00 0.02 0.00 0.00 46.19 44.89 2eej s LEU 24 CO 0.28 0.13 0.12 0.21 0.02 0.00 0.00 176.35 177.10 2eej s ASN 25 N -2.58 0.65 -0.57 2.29 2.47 -1.10 -4.89 114.94 111.21 2eej s ASN 25 Ca 0.21 0.23 -0.27 0.00 0.42 0.00 0.00 52.86 53.44 2eej s ASN 25 Cb -0.09 0.11 0.01 0.00 -1.45 0.00 0.00 41.25 39.83 2eej s ASN 25 CO 0.11 -0.22 1.53 0.00 -3.72 0.00 0.00 177.10 174.80 2eej s ALA 26 N 1.96 2.67 -0.28 1.71 0.00 -1.26 -3.71 121.76 122.84 2eej s ALA 26 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.11 2eej s ALA 26 Cb -0.12 -4.16 -0.02 0.00 0.00 0.00 0.00 23.12 18.82 2eej s ALA 26 CO -0.05 -3.16 0.51 0.42 0.00 0.00 0.00 175.76 173.48 2eej s ILE 27 N 6.74 5.06 0.04 0.00 1.01 -1.26 -5.03 121.20 127.76 2eej s ILE 27 Ca 0.56 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 61.65 2eej s ILE 27 Cb -0.12 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 2eej s ILE 27 CO 0.24 0.02 1.51 -0.60 0.00 0.00 0.00 174.94 176.11 2eej s ARG 28 N 2.32 4.25 0.00 2.79 3.52 -1.26 -3.66 118.95 126.92 2eej s ARG 28 Ca 0.20 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.94 2eej s ARG 28 Cb -0.16 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2eej s ARG 28 CO 0.10 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 2eej n GLY 29 N 3.78 2.85 3.88 8.12 0.00 -1.26 -5.08 105.19 117.49 2eej n GLY 29 Ca 0.14 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 4.26 0.00 0.99 2.01 -1.24 -5.11 118.68 119.59 2eej s LEU 30 Ca 0.00 0.26 -0.19 0.00 0.01 0.00 0.00 54.13 54.21 2eej s LEU 30 Cb 0.00 -2.70 0.28 0.00 0.01 0.00 0.00 46.19 43.78 2eej s LEU 30 CO 0.00 0.22 1.01 -0.81 1.01 0.00 0.00 176.35 177.78 2eej n PRO 31 N 0.66 -2.99 -1.02 1.29 -0.04 -1.26 -4.75 135.00 126.89 2eej n PRO 31 Ca -0.09 -1.62 0.14 0.00 -0.04 0.00 0.00 63.50 61.90 2eej n PRO 31 Cb 0.52 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2eej n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eej n GLY 32 N -4.23 -1.35 3.91 0.55 0.00 -0.92 -4.93 105.19 98.22 2eej n GLY 32 Ca 0.14 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 2eej n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej s SER 33 N -5.49 4.65 0.00 1.61 0.01 -1.26 -4.70 113.70 108.52 2eej s SER 33 Ca 0.00 -1.23 0.01 0.00 1.31 0.00 0.00 55.95 56.04 2eej s SER 33 Cb 0.00 0.39 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 2eej s SER 33 CO 0.00 -1.10 -0.03 -0.36 0.41 0.00 0.00 173.24 172.16 2eej s PHE 34 N -2.76 0.25 0.01 2.43 0.40 -1.24 -2.79 117.98 114.27 2eej s PHE 34 Ca 0.35 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.24 2eej s PHE 34 Cb -0.02 -0.16 -0.05 0.00 0.51 0.00 0.00 43.02 43.30 2eej s PHE 34 CO 0.22 -0.03 1.29 0.42 0.70 0.00 0.00 175.22 177.81 2eej s ILE 35 N -0.34 3.92 0.02 0.64 1.01 -0.65 -2.70 121.20 123.09 2eej s ILE 35 Ca -0.02 1.32 -0.10 0.00 0.00 0.00 0.00 60.65 61.85 2eej s ILE 35 Cb -0.03 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2eej s ILE 35 CO -0.00 0.03 0.21 -0.75 0.00 0.00 0.00 174.94 174.43 2eej s LYS 36 N 1.88 0.64 -0.83 2.79 2.20 -0.23 -3.70 119.74 122.49 2eej s LYS 36 Ca 0.60 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2eej s LYS 36 Cb -0.29 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 2eej s LYS 36 CO 0.26 -0.18 0.70 0.39 -0.36 0.00 0.00 175.35 176.17 2eej n GLU 37 N 0.98 -4.71 -3.30 4.03 1.02 -1.26 -0.42 120.64 116.98 2eej n GLU 37 Ca -0.20 0.55 -0.43 0.00 -0.02 0.00 0.00 57.16 57.06 2eej n GLU 37 Cb 0.57 -4.71 -0.09 0.00 -0.02 0.00 0.00 31.44 27.20 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 -3.22 5.06 0.49 2.62 0.11 -1.26 -3.93 120.40 120.27 2eej s VAL 38 Ca 0.16 -0.26 -0.22 0.00 -2.93 0.00 0.00 61.98 58.73 2eej s VAL 38 Cb -0.07 -4.04 -0.06 0.00 -1.53 0.00 0.00 36.38 30.67 2eej s VAL 38 CO 0.48 -0.42 1.22 -1.10 -3.33 0.00 0.00 175.10 171.95 2eej s GLN 39 N 2.21 3.54 -0.21 1.54 -1.52 -1.26 -4.94 119.66 119.01 2eej s GLN 39 Ca 0.13 1.90 -0.26 0.00 -1.95 0.00 0.00 55.36 55.17 2eej s GLN 39 Cb -0.17 -2.33 -0.00 0.00 -0.22 0.00 0.00 33.01 30.29 2eej s GLN 39 CO 0.14 -0.77 0.91 0.21 -0.25 0.00 0.00 175.29 175.53 2eej s LYS 40 N -2.81 4.25 0.00 2.91 2.47 -1.26 -3.83 119.74 121.47 2eej s LYS 40 Ca 0.67 1.12 0.00 0.00 -1.56 0.00 0.00 55.97 56.20 2eej s LYS 40 Cb -0.32 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.44 2eej s LYS 40 CO 0.38 -0.49 0.00 0.41 0.16 0.00 0.00 175.35 175.81 2eej n GLY 41 N 3.50 1.69 0.00 5.54 0.00 -1.26 -5.07 105.19 109.58 2eej n GLY 41 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.70 7.12 0.24 -0.02 0.00 -1.25 -4.89 105.19 105.69 2eej n GLY 42 Ca 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 0.73 0.08 1.61 0.13 -1.90 -0.51 132.00 132.14 2eej h PRO 43 Ca 0.00 -0.38 -0.20 0.00 -0.87 0.00 0.00 66.00 64.55 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 1.00 -0.83 0.00 -0.23 0.00 0.00 178.00 177.94 2eej h ALA 44 N 0.94 -0.01 0.53 -0.56 0.00 -1.92 -3.22 119.26 115.03 2eej h ALA 44 Ca 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 2eej h ALA 44 Cb 0.96 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2eej h ALA 44 CO 0.09 0.44 -0.25 0.22 0.00 0.00 0.00 179.25 179.74 2eej h ASP 45 N -0.11 -0.60 -0.94 0.00 3.58 -1.75 0.36 116.42 116.96 2eej h ASP 45 Ca -0.13 -0.05 0.25 0.00 0.42 0.00 0.00 57.03 57.52 2eej h ASP 45 Cb 1.57 0.16 -0.17 0.00 1.72 0.00 0.00 39.33 42.61 2eej h ASP 45 CO 0.16 -0.23 0.04 -0.07 -2.88 0.00 0.00 179.24 176.26 2eej h LEU 46 N -1.04 -0.43 -0.96 2.28 3.38 -1.24 1.01 115.31 118.31 2eej h LEU 46 Ca -0.07 0.26 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2eej h LEU 46 Cb 0.62 0.45 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2eej h LEU 46 CO 0.12 -0.31 0.11 0.00 0.09 0.00 0.00 178.44 178.45 2eej h ALA 47 N 1.92 1.16 0.00 1.53 0.00 -1.56 -3.47 119.26 118.85 2eej h ALA 47 Ca 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2eej h ALA 47 Cb 1.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2eej h ALA 47 CO -0.86 0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.36 2eej n GLY 48 N -0.79 1.00 3.71 0.00 0.00 0.35 -5.00 105.19 104.46 2eej n GLY 48 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 3.88 0.00 0.99 1.43 0.08 -5.01 118.68 120.05 2eej s LEU 49 Ca 0.00 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2eej s LEU 49 Cb 0.00 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.29 2eej s LEU 49 CO 0.00 0.30 0.10 -0.62 0.23 0.00 0.00 176.35 176.37 2eej n GLU 50 N 2.67 1.03 -0.38 1.70 1.02 -1.26 -4.36 120.64 121.05 2eej n GLU 50 Ca -0.18 -2.65 -0.07 0.00 -0.02 0.00 0.00 57.16 54.24 2eej n GLU 50 Cb 0.53 0.57 0.06 0.00 -0.02 0.00 0.00 31.44 32.58 2eej n GLU 50 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2eej n ASP 51 N -1.45 3.19 0.00 1.62 -0.08 -1.26 -3.58 116.55 114.99 2eej n ASP 51 Ca -0.11 -2.49 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 2eej n ASP 51 Cb 0.47 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.32 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2eej n GLU 52 N -0.01 1.15 -1.12 -0.67 1.02 -1.24 -4.78 120.64 114.99 2eej n GLU 52 Ca 0.18 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.97 2eej n GLU 52 Cb 0.85 -0.71 0.07 0.00 -0.02 0.00 0.00 31.44 31.64 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 -1.37 -2.09 -4.27 1.62 9.92 -1.23 -4.71 116.55 114.42 2eej n ASP 53 Ca 0.00 0.49 -0.23 0.00 -0.53 0.00 0.00 54.79 54.52 2eej n ASP 53 Cb 0.21 -1.14 -0.13 0.00 -0.64 0.00 0.00 41.12 39.42 2eej n ASP 53 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2eej s VAL 54 N -2.04 1.62 -0.55 2.53 -7.23 -1.26 -1.64 120.40 111.84 2eej s VAL 54 Ca 0.60 -1.48 -0.20 0.00 -1.81 0.00 0.00 61.98 59.09 2eej s VAL 54 Cb -0.31 -1.48 0.07 0.00 0.56 0.00 0.00 36.38 35.22 2eej s VAL 54 CO 0.63 -0.06 0.71 -0.63 -0.31 0.00 0.00 175.10 175.44 2eej s ILE 55 N -1.14 4.77 -0.13 -0.62 1.01 -1.12 -4.04 121.20 119.92 2eej s ILE 55 Ca 0.05 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 2eej s ILE 55 Cb -0.10 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 2eej s ILE 55 CO 0.04 -0.97 -0.12 0.40 0.00 0.00 0.00 174.94 174.28 2eej h ILE 56 N 5.90 0.03 -2.51 2.92 2.04 -1.58 -3.37 117.51 120.94 2eej h ILE 56 Ca -0.28 -1.03 -0.58 0.00 1.00 0.00 0.00 64.86 63.97 2eej h ILE 56 Cb 1.09 0.07 -0.15 0.00 -0.74 0.00 0.00 36.82 37.09 2eej h ILE 56 CO 1.03 0.01 -0.76 -1.61 0.00 0.00 0.00 178.15 176.82 2eej s GLU 57 N -2.09 1.57 -0.14 2.37 2.02 -1.23 -2.64 118.70 118.56 2eej s GLU 57 Ca -0.12 -1.69 -0.04 0.00 0.02 0.00 0.00 54.97 53.14 2eej s GLU 57 Cb 0.02 -1.64 0.06 0.00 0.10 0.00 0.00 34.13 32.67 2eej s GLU 57 CO 0.18 0.31 0.12 0.54 0.02 0.00 0.00 175.26 176.43 2eej s VAL 58 N -2.46 -0.17 -1.51 2.63 0.11 -1.03 -1.11 120.40 116.88 2eej s VAL 58 Ca 0.27 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2eej s VAL 58 Cb -0.05 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2eej s VAL 58 CO 0.12 -0.13 0.00 0.59 -3.33 0.00 0.00 175.10 172.35 2eej n ASN 59 N 5.30 -5.06 -1.66 3.54 3.02 -0.57 -3.51 115.26 116.31 2eej n ASN 59 Ca -0.06 0.02 -0.01 0.00 -0.03 0.00 0.00 54.58 54.51 2eej n ASN 59 Cb 0.49 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 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 -1.00 0.40 3.48 7.41 0.00 -1.26 -5.08 105.19 109.14 2eej n GLY 60 Ca -0.20 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.03 -0.52 -0.52 1.61 0.11 -1.23 -5.11 120.40 111.72 2eej s VAL 61 Ca 0.03 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.81 2eej s VAL 61 Cb -0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2eej s VAL 61 CO 0.07 0.00 1.96 0.21 -3.33 0.00 0.00 175.10 174.01 2eej s ASN 62 N 2.38 5.24 -0.05 3.54 3.84 -1.26 -2.45 114.94 126.18 2eej s ASN 62 Ca -0.04 0.72 0.16 0.00 0.21 0.00 0.00 52.86 53.91 2eej s ASN 62 Cb -0.07 -2.52 0.53 0.00 -0.55 0.00 0.00 41.25 38.64 2eej s ASN 62 CO -0.18 -2.33 1.45 1.33 -2.79 0.00 0.00 177.10 174.59 2eej n VAL 63 N 7.42 1.40 -0.21 -5.21 0.24 -1.08 -4.66 118.33 116.23 2eej n VAL 63 Ca 0.24 -1.17 -0.06 0.00 -2.04 0.00 0.00 64.34 61.32 2eej n VAL 63 Cb 0.51 0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 33.18 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 3.13 -1.29 -0.43 1.34 3.38 -1.84 -0.53 115.31 119.08 2eej h LEU 64 Ca 0.00 0.24 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 2eej h LEU 64 Cb 1.09 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2eej h LEU 64 CO 0.09 -0.31 -0.16 0.44 0.09 0.00 0.00 178.44 178.59 2eej h ASP 65 N -0.18 0.88 -1.68 -0.43 3.32 -1.93 -2.44 116.42 113.97 2eej h ASP 65 Ca 0.22 -0.39 -0.63 0.00 0.02 0.00 0.00 57.03 56.25 2eej h ASP 65 Cb 0.56 -0.24 0.14 0.00 0.22 0.00 0.00 39.33 40.00 2eej h ASP 65 CO -0.70 1.07 -0.64 -0.62 -1.72 0.00 0.00 179.24 176.63 2eej n GLU 66 N -4.24 0.21 -1.19 3.56 -0.58 -0.21 -4.82 120.64 113.37 2eej n GLU 66 Ca -0.01 0.08 -0.29 0.00 -0.42 0.00 0.00 57.16 56.51 2eej n GLU 66 Cb 0.41 -1.17 0.15 0.00 -0.57 0.00 0.00 31.44 30.26 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 -1.17 0.99 0.49 3.49 0.04 -1.26 -4.61 135.00 132.96 2eej s PRO 67 Ca 0.62 0.73 0.18 0.00 0.04 0.00 0.00 61.00 62.56 2eej s PRO 67 Cb -0.72 -1.78 1.21 0.00 0.04 0.00 0.00 34.50 33.25 2eej s PRO 67 CO 0.60 -2.40 2.07 -0.92 0.04 0.00 0.00 177.00 176.38 2eej h TYR 68 N -1.66 0.00 -0.00 0.56 5.03 -1.92 -1.16 116.97 117.82 2eej h TYR 68 Ca -0.51 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 60.65 2eej h TYR 68 Cb 1.30 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.56 2eej h TYR 68 CO 0.38 0.11 -0.72 0.93 -1.32 0.00 0.00 178.16 177.54 2eej h GLU 69 N 0.00 0.03 0.07 1.82 5.08 -1.99 -2.33 114.58 117.26 2eej h GLU 69 Ca -0.00 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2eej h GLU 69 Cb 0.21 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.48 2eej h GLU 69 CO 0.01 0.74 -0.63 0.87 -1.00 0.00 0.00 179.01 179.01 2eej h LYS 70 N 0.02 0.31 -0.60 2.33 1.79 -1.65 -2.54 116.57 116.22 2eej h LYS 70 Ca -0.01 -0.42 -0.03 0.00 -2.18 0.00 0.00 60.65 58.01 2eej h LYS 70 Cb 1.28 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 32.04 2eej h LYS 70 CO 0.10 1.14 0.27 -0.39 -1.08 0.00 0.00 179.45 179.49 2eej h VAL 71 N -0.33 1.22 0.24 0.50 -1.51 -1.31 -1.81 116.25 113.25 2eej h VAL 71 Ca -0.10 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.72 2eej h VAL 71 Cb 1.42 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 2eej h VAL 71 CO 0.12 0.26 -0.11 1.62 -1.23 0.00 0.00 177.57 178.22 2eej h VAL 72 N 0.82 0.83 -0.95 7.19 3.04 -1.52 -2.61 116.25 123.05 2eej h VAL 72 Ca 0.20 -0.51 0.16 0.00 -1.01 0.00 0.00 66.70 65.53 2eej h VAL 72 Cb 0.15 1.12 -0.10 0.00 -2.01 0.00 0.00 31.29 30.46 2eej h VAL 72 CO -0.02 0.11 0.55 -0.78 -1.01 0.00 0.00 177.57 176.42 2eej h ASP 73 N -0.58 0.73 -0.68 3.17 3.58 -1.41 -0.22 116.42 121.01 2eej h ASP 73 Ca -0.03 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2eej h ASP 73 Cb 0.43 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 2eej h ASP 73 CO 0.05 0.31 0.41 0.03 -2.88 0.00 0.00 179.24 177.16 2eej h ARG 74 N 0.77 0.93 0.22 0.28 3.08 -1.23 0.26 114.38 118.69 2eej h ARG 74 Ca 0.52 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 2eej h ARG 74 Cb 0.71 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2eej h ARG 74 CO -0.35 0.66 -0.11 0.82 -1.07 0.00 0.00 179.97 179.93 2eej h ILE 75 N 0.93 0.85 -0.45 2.04 2.04 -0.71 -1.08 117.51 121.13 2eej h ILE 75 Ca 0.24 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2eej h ILE 75 Cb -0.02 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2eej h ILE 75 CO -0.05 0.11 0.28 1.56 0.00 0.00 0.00 178.15 180.05 2eej h GLN 76 N -0.55 0.61 -0.61 2.37 1.08 -1.09 -2.76 115.11 114.16 2eej h GLN 76 Ca -0.03 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2eej h GLN 76 Cb 0.41 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.67 2eej h GLN 76 CO 0.05 0.44 0.37 1.03 -0.95 0.00 0.00 178.83 179.77 2eej h SER 77 N 0.60 0.61 -0.74 1.46 0.87 -0.47 -2.76 113.55 113.12 2eej h SER 77 Ca 0.16 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.90 2eej h SER 77 Cb -0.02 -0.13 -0.14 0.00 -0.44 0.00 0.00 62.40 61.67 2eej h SER 77 CO -0.03 0.42 -0.09 -1.54 -0.53 0.00 0.00 176.83 175.06 2eej n SER 78 N -4.73 -0.18 0.00 6.23 3.41 -0.41 -4.89 113.62 113.05 2eej n SER 78 Ca 0.05 1.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.93 2eej n SER 78 Cb 0.08 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.42 0.37 0.08 5.00 0.00 -1.04 -4.83 105.19 103.35 2eej n GLY 79 Ca 0.15 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 2eej n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2eej h LYS 80 N 0.00 0.00 -6.03 1.61 1.57 -1.90 -3.46 116.57 108.36 2eej h LYS 80 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 2eej h LYS 80 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2eej h LYS 80 CO 0.00 0.38 -0.31 1.21 -0.57 0.00 0.00 179.45 180.15 2eej s ASN 81 N -6.14 6.56 -0.14 0.86 3.84 -1.26 -0.79 114.94 117.87 2eej s ASN 81 Ca -0.19 0.66 -0.18 0.00 0.21 0.00 0.00 52.86 53.36 2eej s ASN 81 Cb 0.03 -2.13 0.05 0.00 -0.55 0.00 0.00 41.25 38.65 2eej s ASN 81 CO 0.35 0.19 0.47 0.54 -2.79 0.00 0.00 177.10 175.86 2eej s VAL 82 N -1.40 0.01 -0.10 -5.21 0.11 -1.11 -4.90 120.40 107.80 2eej s VAL 82 Ca 0.32 -0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.28 2eej s VAL 82 Cb -0.13 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2eej s VAL 82 CO 0.18 -0.04 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.96 2eej s THR 83 N -0.15 3.70 0.03 5.04 2.01 -1.26 -1.43 115.64 123.57 2eej s THR 83 Ca -0.03 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2eej s THR 83 Cb -0.03 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 2eej s THR 83 CO 0.02 0.56 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.63 2eej s LEU 84 N -0.30 2.15 -0.55 4.42 1.43 -1.22 -1.52 118.68 123.09 2eej s LEU 84 Ca 0.04 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 2eej s LEU 84 Cb -0.13 -0.52 0.13 0.00 0.03 0.00 0.00 46.19 45.70 2eej s LEU 84 CO 0.02 0.02 0.51 -0.22 0.23 0.00 0.00 176.35 176.92 2eej s LEU 85 N -0.99 6.21 0.17 1.79 0.20 -0.26 -3.81 118.68 121.98 2eej s LEU 85 Ca 0.01 -1.83 0.04 0.00 0.69 0.00 0.00 54.13 53.04 2eej s LEU 85 Cb -0.07 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 2eej s LEU 85 CO 0.01 -0.85 0.20 0.68 -0.29 0.00 0.00 176.35 176.10 2eej s VAL 86 N 1.54 4.79 -0.08 1.68 -7.23 -1.17 -1.40 120.40 118.52 2eej s VAL 86 Ca 0.04 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.25 2eej s VAL 86 Cb -0.29 -3.48 0.01 0.00 0.56 0.00 0.00 36.38 33.18 2eej s VAL 86 CO 0.02 -0.14 -0.16 0.00 -0.31 0.00 0.00 175.10 174.51 2eej n GLY 88 N 3.79 -3.09 3.88 0.00 0.00 -1.26 -4.55 105.19 103.96 2eej n GLY 88 Ca -0.21 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.87 3.73 -1.01 1.61 2.47 -1.26 -5.01 119.74 118.39 2eej s LYS 89 Ca 0.55 0.11 -0.23 0.00 -1.56 0.00 0.00 55.97 54.85 2eej s LYS 89 Cb -0.36 -2.91 0.05 0.00 -1.46 0.00 0.00 37.83 33.15 2eej s LYS 89 CO 0.68 0.50 1.43 0.21 0.16 0.00 0.00 175.35 178.34 2eej s LYS 90 N -2.23 3.59 0.17 4.03 2.20 -1.26 -4.97 119.74 121.27 2eej s LYS 90 Ca 0.37 -1.15 -0.32 0.00 -0.36 0.00 0.00 55.97 54.51 2eej s LYS 90 Cb -0.13 -5.33 -0.11 0.00 -1.51 0.00 0.00 37.83 30.75 2eej s LYS 90 CO 0.20 -2.19 1.66 -1.12 -0.36 0.00 0.00 175.35 173.55 2eej s SER 91 N 4.91 6.49 -0.00 1.43 0.01 -1.26 -4.19 113.70 121.08 2eej s SER 91 Ca 0.45 2.72 -0.00 0.00 1.31 0.00 0.00 55.95 60.44 2eej s SER 91 Cb -0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2eej s SER 91 CO -0.10 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.25 2eej n GLY 92 N 3.91 -1.69 3.60 3.44 0.00 -1.26 -5.07 105.19 108.12 2eej n GLY 92 Ca 0.15 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2eej n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eej s PRO 93 N -0.54 -1.15 -0.06 1.61 0.04 -1.26 -5.02 135.00 128.62 2eej s PRO 93 Ca 0.00 -0.04 -0.10 0.00 0.04 0.00 0.00 61.00 60.90 2eej s PRO 93 Cb -0.00 -1.60 -0.06 0.00 0.04 0.00 0.00 34.50 32.87 2eej s PRO 93 CO 0.00 -3.67 0.42 0.77 0.04 0.00 0.00 177.00 174.56 2eej h SER 94 N -2.55 -0.25 -4.02 6.66 0.02 -1.97 -3.46 113.55 107.98 2eej h SER 94 Ca -0.45 -0.05 -0.51 0.00 -0.84 0.00 0.00 61.79 59.93 2eej h SER 94 Cb 1.30 0.06 0.20 0.00 0.14 0.00 0.00 62.40 64.10 2eej h SER 94 CO 0.35 0.24 0.09 -1.54 -1.14 0.00 0.00 176.83 174.84 2eej n SER 95 N -4.97 -0.20 -0.88 3.07 3.41 -1.26 -5.33 113.62 107.46 2eej n SER 95 Ca -0.04 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.00 2eej n SER 95 Cb 0.15 -1.42 0.09 0.00 -0.26 0.00 0.00 64.21 62.77 2eej n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49