#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 6.41 0.01 1.61 0.15 -1.26 -5.07 113.70 115.55 2eej s SER 2 Ca 0.00 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.14 2eej s SER 2 Cb 0.00 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 2eej s SER 2 CO 0.00 -0.07 -0.03 -0.94 1.20 0.00 0.00 173.24 173.39 2eej s SER 3 N 1.07 0.38 0.00 5.45 1.04 -1.26 -5.11 113.70 115.27 2eej s SER 3 Ca 0.18 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2eej s SER 3 Cb -0.15 0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2eej s SER 3 CO 0.08 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2eej n GLY 4 N 2.49 1.74 3.01 7.32 0.00 -1.26 -5.18 105.19 113.30 2eej n GLY 4 Ca -0.16 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2eej n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eej s SER 5 N 0.00 0.34 -0.04 1.61 0.15 -1.26 -5.16 113.70 109.34 2eej s SER 5 Ca 0.00 -0.59 0.04 0.00 0.70 0.00 0.00 55.95 56.10 2eej s SER 5 Cb 0.00 0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2eej s SER 5 CO 0.00 -0.34 -0.18 -0.94 1.20 0.00 0.00 173.24 172.98 2eej s SER 6 N -1.73 2.21 0.00 5.45 1.04 -1.26 -4.98 113.70 114.43 2eej s SER 6 Ca -0.11 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2eej s SER 6 Cb -0.07 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2eej s SER 6 CO -0.02 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2eej n GLY 7 N 3.12 -2.08 1.90 7.32 0.00 -1.26 -5.16 105.19 109.03 2eej n GLY 7 Ca -0.18 0.65 -0.16 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.67 -2.17 -2.92 1.61 -0.04 -1.26 -4.97 135.00 123.57 2eej n PRO 8 Ca 0.00 -0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 62.09 2eej n PRO 8 Cb 0.00 -0.89 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -4.35 3.81 -0.24 0.54 1.02 -0.66 -5.01 119.74 114.86 2eej s LYS 9 Ca 0.38 0.42 -0.06 0.00 0.02 0.00 0.00 55.97 56.73 2eej s LYS 9 Cb -0.04 -3.79 -0.02 0.00 -0.52 0.00 0.00 37.83 33.45 2eej s LYS 9 CO 0.30 -0.84 0.04 -1.17 -0.92 0.00 0.00 175.35 172.76 2eej s LEU 10 N 3.15 3.33 -0.05 3.17 1.98 -1.26 -2.55 118.68 126.45 2eej s LEU 10 Ca 0.33 -0.23 -0.00 0.00 -2.89 0.00 0.00 54.13 51.34 2eej s LEU 10 Cb -0.13 -1.88 0.03 0.00 0.66 0.00 0.00 46.19 44.87 2eej s LEU 10 CO 0.16 -0.01 -0.01 0.00 -1.89 0.00 0.00 176.35 174.60 2eej s ARG 12 N 1.38 4.32 0.16 0.00 0.52 -1.26 -4.17 118.95 119.90 2eej s ARG 12 Ca -0.04 0.66 0.03 0.00 -0.52 0.00 0.00 55.73 55.85 2eej s ARG 12 Cb -0.13 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 2eej s ARG 12 CO -0.02 0.27 0.29 -0.51 0.02 0.00 0.00 175.30 175.34 2eej s LEU 13 N 0.17 4.33 -0.22 2.53 1.43 -1.22 -4.87 118.68 120.84 2eej s LEU 13 Ca 0.30 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.53 2eej s LEU 13 Cb -0.17 -2.90 0.07 0.00 0.03 0.00 0.00 46.19 43.22 2eej s LEU 13 CO 0.15 0.04 0.08 0.00 0.23 0.00 0.00 176.35 176.85 2eej s ALA 14 N -1.76 0.76 -0.24 4.21 0.00 -1.26 -3.62 121.76 119.85 2eej s ALA 14 Ca 0.34 -0.73 -0.34 0.00 0.00 0.00 0.00 51.96 51.24 2eej s ALA 14 Cb -0.11 -1.21 -0.10 0.00 0.00 0.00 0.00 23.12 21.70 2eej s ALA 14 CO 0.28 -1.32 2.09 1.17 0.00 0.00 0.00 175.76 177.98 2eej n LYS 15 N 5.16 1.59 0.00 0.00 4.81 -0.57 -4.58 118.16 124.57 2eej n LYS 15 Ca -0.07 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2eej n LYS 15 Cb 0.46 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.84 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 5.65 -2.90 0.08 3.14 0.00 -0.96 -4.90 105.19 105.30 2eej n GLY 16 Ca 0.33 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2eej n GLY 16 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2eej h GLU 17 N 0.00 0.00 0.01 1.61 4.57 -1.98 -3.41 114.58 115.38 2eej h GLU 17 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 2eej h GLU 17 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2eej h GLU 17 CO 0.00 0.84 -0.64 -2.95 -1.18 0.00 0.00 179.01 175.08 2eej h ASN 18 N -1.00 0.03 -0.04 1.04 7.08 -2.01 -3.51 115.58 117.16 2eej h ASN 18 Ca -0.10 -0.78 0.00 0.00 -3.08 0.00 0.00 56.30 52.34 2eej h ASN 18 Cb 0.95 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.19 2eej h ASN 18 CO -0.06 1.25 0.00 0.61 -2.08 0.00 0.00 177.43 177.15 2eej n GLY 19 N 1.54 0.97 0.28 9.14 0.00 -1.26 -5.06 105.19 110.81 2eej n GLY 19 Ca -0.21 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 2eej n GLY 19 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2eej h TYR 20 N 0.26 -0.61 0.00 1.61 0.05 -1.92 -2.55 116.97 113.81 2eej h TYR 20 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2eej h TYR 20 Cb 0.00 0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2eej h TYR 20 CO 0.00 -0.38 0.00 0.41 -1.05 0.00 0.00 178.16 177.14 2eej n GLY 21 N 0.07 3.34 3.80 3.88 0.00 -1.26 -4.16 105.19 110.86 2eej n GLY 21 Ca -0.08 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 2eej n GLY 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eej s PHE 22 N 0.00 2.73 0.33 1.61 -0.71 -1.26 -4.39 117.98 116.29 2eej s PHE 22 Ca 0.00 1.04 0.07 0.00 -1.04 0.00 0.00 56.93 57.00 2eej s PHE 22 Cb 0.00 -3.22 -0.03 0.00 -1.21 0.00 0.00 43.02 38.56 2eej s PHE 22 CO 0.00 -1.97 0.25 0.72 -1.34 0.00 0.00 175.22 172.88 2eej n HIS 23 N -3.54 -0.64 -4.36 3.49 8.25 0.95 -4.94 115.22 114.43 2eej n HIS 23 Ca 0.07 -2.66 -0.27 0.00 -0.26 0.00 0.00 57.72 54.59 2eej n HIS 23 Cb 0.57 0.24 -0.11 0.00 1.12 0.00 0.00 29.99 31.82 2eej n HIS 23 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2eej s LEU 24 N 0.00 2.66 -0.16 2.41 1.02 -1.26 -0.26 118.68 123.10 2eej s LEU 24 Ca 0.36 -0.73 -0.06 0.00 0.02 0.00 0.00 54.13 53.72 2eej s LEU 24 Cb 0.02 -1.39 0.08 0.00 0.02 0.00 0.00 46.19 44.91 2eej s LEU 24 CO 0.25 0.12 0.34 0.21 0.02 0.00 0.00 176.35 177.29 2eej s ASN 25 N -2.69 0.03 -0.13 2.29 3.84 -0.44 -4.83 114.94 113.02 2eej s ASN 25 Ca 0.22 0.79 -0.29 0.00 0.21 0.00 0.00 52.86 53.78 2eej s ASN 25 Cb -0.08 1.00 -0.02 0.00 -0.55 0.00 0.00 41.25 41.59 2eej s ASN 25 CO 0.12 -0.23 1.35 0.00 -2.79 0.00 0.00 177.10 175.55 2eej s ALA 26 N 2.46 3.65 -0.72 1.71 0.00 -1.26 -3.20 121.76 124.39 2eej s ALA 26 Ca -0.01 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.36 2eej s ALA 26 Cb -0.12 -3.64 0.14 0.00 0.00 0.00 0.00 23.12 19.50 2eej s ALA 26 CO -0.11 -1.20 0.79 0.42 0.00 0.00 0.00 175.76 175.66 2eej s ILE 27 N 3.55 5.06 -0.37 0.00 -1.09 -1.26 -4.99 121.20 122.09 2eej s ILE 27 Ca 0.59 -1.56 -0.31 0.00 -2.23 0.00 0.00 60.65 57.14 2eej s ILE 27 Cb -0.25 -4.53 -0.14 0.00 -1.58 0.00 0.00 42.46 35.97 2eej s ILE 27 CO 0.18 -1.15 1.55 0.54 -1.23 0.00 0.00 174.94 174.83 2eej n ARG 28 N 5.63 0.00 0.00 2.79 1.74 -1.26 -2.33 116.66 123.23 2eej n ARG 28 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2eej n ARG 28 Cb 0.45 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 2eej n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2eej n GLY 29 N 5.38 3.10 3.53 -0.13 0.00 -1.26 -5.11 105.19 110.70 2eej n GLY 29 Ca 0.40 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 2.93 0.00 0.99 1.43 -0.98 -5.13 118.68 117.92 2eej s LEU 30 Ca 0.00 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 2eej s LEU 30 Cb 0.00 -1.69 0.22 0.00 0.03 0.00 0.00 46.19 44.75 2eej s LEU 30 CO 0.00 0.28 0.79 -0.81 0.23 0.00 0.00 176.35 176.84 2eej n PRO 31 N 1.64 -2.57 0.00 1.29 -0.04 -1.26 -4.53 135.00 129.53 2eej n PRO 31 Ca -0.16 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 2eej n PRO 31 Cb 0.52 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -2.77 0.20 3.42 0.55 0.00 -0.69 -4.95 105.19 100.94 2eej n GLY 32 Ca 0.11 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 2eej n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eej s SER 33 N -4.00 -0.15 0.05 1.61 1.04 -1.26 -4.45 113.70 106.54 2eej s SER 33 Ca 0.00 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.90 2eej s SER 33 Cb 0.00 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2eej s SER 33 CO 0.00 -0.95 -0.13 -0.36 0.98 0.00 0.00 173.24 172.78 2eej s PHE 34 N -3.89 1.12 0.06 5.02 0.40 -1.19 -2.37 117.98 117.13 2eej s PHE 34 Ca 0.10 -0.39 -0.31 0.00 -0.60 0.00 0.00 56.93 55.74 2eej s PHE 34 Cb 0.01 -0.66 -0.06 0.00 0.51 0.00 0.00 43.02 42.83 2eej s PHE 34 CO -0.04 0.03 1.20 0.42 0.70 0.00 0.00 175.22 177.52 2eej s ILE 35 N -0.99 4.04 0.03 0.64 1.01 -0.47 -1.32 121.20 124.13 2eej s ILE 35 Ca -0.01 1.47 -0.13 0.00 0.00 0.00 0.00 60.65 61.98 2eej s ILE 35 Cb -0.08 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.46 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 1.08 0.74 -1.09 2.79 2.20 0.65 -3.89 119.74 122.21 2eej s LYS 36 Ca 0.59 -0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2eej s LYS 36 Cb -0.29 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2eej s LYS 36 CO 0.29 -0.22 0.93 0.39 -0.36 0.00 0.00 175.35 176.38 2eej n GLU 37 N 0.81 -6.18 -3.14 4.03 1.02 -1.26 -0.04 120.64 115.88 2eej n GLU 37 Ca -0.20 0.73 -0.43 0.00 -0.02 0.00 0.00 57.16 57.25 2eej n GLU 37 Cb 0.58 -5.43 -0.07 0.00 -0.02 0.00 0.00 31.44 26.50 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 -3.30 4.88 0.43 2.62 0.11 -1.26 -4.00 120.40 119.88 2eej s VAL 38 Ca 0.19 0.19 -0.25 0.00 -2.93 0.00 0.00 61.98 59.17 2eej s VAL 38 Cb -0.08 -4.14 -0.08 0.00 -1.53 0.00 0.00 36.38 30.55 2eej s VAL 38 CO 0.63 -0.49 1.29 -1.10 -3.33 0.00 0.00 175.10 172.11 2eej s GLN 39 N 2.69 3.84 -0.21 1.54 -1.52 -1.26 -4.96 119.66 119.79 2eej s GLN 39 Ca 0.22 2.12 -0.27 0.00 -1.95 0.00 0.00 55.36 55.47 2eej s GLN 39 Cb -0.15 -2.65 -0.00 0.00 -0.22 0.00 0.00 33.01 29.99 2eej s GLN 39 CO 0.17 -0.58 0.93 0.21 -0.25 0.00 0.00 175.29 175.77 2eej s LYS 40 N -2.38 4.26 0.00 2.91 2.47 -1.26 -3.54 119.74 122.20 2eej s LYS 40 Ca 0.59 1.17 0.00 0.00 -1.56 0.00 0.00 55.97 56.18 2eej s LYS 40 Cb -0.37 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.38 2eej s LYS 40 CO 0.47 -0.51 0.00 0.41 0.16 0.00 0.00 175.35 175.88 2eej n GLY 41 N 3.45 1.81 0.00 5.54 0.00 -1.26 -5.08 105.19 109.65 2eej n GLY 41 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.22 -2.57 0.24 -0.02 0.00 -1.23 -4.61 105.19 96.78 2eej n GLY 42 Ca 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 0.82 0.07 1.61 0.13 -1.81 -2.04 132.00 130.78 2eej h PRO 43 Ca 0.00 -0.43 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2eej h PRO 43 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2eej h PRO 43 CO 0.00 1.07 -0.03 0.00 -0.23 0.00 0.00 178.00 178.80 2eej h ALA 44 N 0.74 -0.10 0.64 -0.56 0.00 -1.90 -2.11 119.26 115.97 2eej h ALA 44 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2eej h ALA 44 Cb 0.92 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2eej h ALA 44 CO 0.08 -0.54 -0.31 0.22 0.00 0.00 0.00 179.25 178.71 2eej h ASP 45 N -0.14 -0.73 -0.88 0.00 3.58 -1.76 0.55 116.42 117.05 2eej h ASP 45 Ca -0.01 -0.01 0.22 0.00 0.42 0.00 0.00 57.03 57.66 2eej h ASP 45 Cb 0.11 0.19 -0.16 0.00 1.72 0.00 0.00 39.33 41.19 2eej h ASP 45 CO 0.02 -0.45 0.05 -0.07 -2.88 0.00 0.00 179.24 175.90 2eej h LEU 46 N -0.96 -0.35 -0.62 2.28 3.38 -1.37 0.43 115.31 118.10 2eej h LEU 46 Ca -0.09 0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2eej h LEU 46 Cb 0.69 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2eej h LEU 46 CO 0.14 -0.25 0.18 0.00 0.09 0.00 0.00 178.44 178.60 2eej h ALA 47 N 1.84 0.81 0.00 1.53 0.00 -1.24 -3.47 119.26 118.72 2eej h ALA 47 Ca 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2eej h ALA 47 Cb 0.99 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2eej h ALA 47 CO -0.77 0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.38 2eej n GLY 48 N -0.69 1.19 3.79 0.00 0.00 0.15 -5.03 105.19 104.60 2eej n GLY 48 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 4.32 0.51 0.99 1.43 0.10 -5.00 118.68 121.02 2eej s LEU 49 Ca 0.00 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2eej s LEU 49 Cb 0.00 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 2eej s LEU 49 CO 0.00 0.24 0.11 -1.83 0.23 0.00 0.00 176.35 175.10 2eej s GLU 50 N -0.24 2.20 -0.10 1.70 -1.05 -1.26 -4.37 118.70 115.58 2eej s GLU 50 Ca 0.16 -2.28 0.00 0.00 -0.15 0.00 0.00 54.97 52.70 2eej s GLU 50 Cb -0.13 -1.69 0.10 0.00 -0.44 0.00 0.00 34.13 31.97 2eej s GLU 50 CO 0.04 -0.41 1.67 -0.25 0.95 0.00 0.00 175.26 177.26 2eej n ASP 51 N -1.38 4.71 0.00 0.83 9.92 -1.26 -3.41 116.55 125.97 2eej n ASP 51 Ca -0.14 -2.51 0.00 0.00 -0.53 0.00 0.00 54.79 51.61 2eej n ASP 51 Cb 0.66 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2eej n GLU 52 N 0.72 0.88 -1.34 -1.24 -0.58 -1.25 -4.80 120.64 113.03 2eej n GLU 52 Ca 0.11 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.50 2eej n GLU 52 Cb 0.60 -0.67 0.09 0.00 -0.57 0.00 0.00 31.44 30.89 2eej n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2eej n ASP 53 N -1.30 0.51 -4.13 1.62 8.00 -1.22 -4.74 116.55 115.29 2eej n ASP 53 Ca 0.00 0.66 -0.25 0.00 0.71 0.00 0.00 54.79 55.91 2eej n ASP 53 Cb 0.17 -1.41 -0.16 0.00 -0.02 0.00 0.00 41.12 39.70 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 -1.84 1.34 -0.84 2.53 -7.23 -1.26 -1.37 120.40 111.73 2eej s VAL 54 Ca 0.73 -0.68 -0.25 0.00 -1.81 0.00 0.00 61.98 59.96 2eej s VAL 54 Cb -0.34 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.48 2eej s VAL 54 CO 0.50 0.39 1.50 -0.63 -0.31 0.00 0.00 175.10 176.55 2eej s ILE 55 N -0.08 3.70 -0.04 -0.62 1.09 -1.00 -3.90 121.20 120.37 2eej s ILE 55 Ca -0.01 -0.10 -0.05 0.00 -1.10 0.00 0.00 60.65 59.39 2eej s ILE 55 Cb -0.10 -4.72 -0.03 0.00 -1.06 0.00 0.00 42.46 36.55 2eej s ILE 55 CO 0.01 -1.65 0.30 0.40 -0.10 0.00 0.00 174.94 173.90 2eej h ILE 56 N 6.55 0.00 -1.71 2.92 2.04 -0.70 -3.39 117.51 123.22 2eej h ILE 56 Ca -0.07 -0.45 -0.58 0.00 1.00 0.00 0.00 64.86 64.76 2eej h ILE 56 Cb 1.05 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 2eej h ILE 56 CO 1.31 0.00 -0.55 -1.61 0.00 0.00 0.00 178.15 177.30 2eej s GLU 57 N -2.08 2.13 -0.25 2.37 2.02 -1.23 -2.64 118.70 119.02 2eej s GLU 57 Ca -0.03 -1.87 -0.04 0.00 0.02 0.00 0.00 54.97 53.05 2eej s GLU 57 Cb 0.00 -1.90 0.14 0.00 0.10 0.00 0.00 34.13 32.47 2eej s GLU 57 CO 0.08 -0.03 0.48 0.54 0.02 0.00 0.00 175.26 176.35 2eej s VAL 58 N -2.60 -0.76 -1.23 2.63 0.11 -0.80 -2.26 120.40 115.50 2eej s VAL 58 Ca 0.38 0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.37 2eej s VAL 58 Cb 0.04 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 34.05 2eej s VAL 58 CO 0.21 -0.03 1.04 0.59 -3.33 0.00 0.00 175.10 173.58 2eej n ASN 59 N 5.40 -5.94 -2.43 3.54 3.02 -0.65 -3.59 115.26 114.61 2eej n ASN 59 Ca -0.05 -0.47 -0.05 0.00 -0.03 0.00 0.00 54.58 53.98 2eej n ASN 59 Cb 0.50 -4.57 0.02 0.00 -0.61 0.00 0.00 39.78 35.12 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 -1.84 -0.51 3.64 7.41 0.00 -1.26 -5.07 105.19 107.57 2eej n GLY 60 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.12 0.00 -0.77 1.61 0.11 -1.24 -5.11 120.40 111.89 2eej s VAL 61 Ca 0.14 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.93 2eej s VAL 61 Cb -0.02 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2eej s VAL 61 CO 0.42 0.00 1.28 0.21 -3.33 0.00 0.00 175.10 173.67 2eej s ASN 62 N 1.13 6.20 -0.31 3.54 3.84 -1.26 -1.90 114.94 126.18 2eej s ASN 62 Ca -0.07 -0.62 0.08 0.00 0.21 0.00 0.00 52.86 52.47 2eej s ASN 62 Cb -0.04 -2.55 0.69 0.00 -0.55 0.00 0.00 41.25 38.80 2eej s ASN 62 CO -0.13 -1.77 1.74 1.33 -2.79 0.00 0.00 177.10 175.48 2eej n VAL 63 N 6.40 2.78 0.03 -5.21 0.24 -1.08 -4.54 118.33 116.95 2eej n VAL 63 Ca 0.06 -1.51 -0.12 0.00 -2.04 0.00 0.00 64.34 60.73 2eej n VAL 63 Cb 0.49 -0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 32.39 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 2.38 -0.02 -0.31 1.34 3.38 -1.86 -3.00 115.31 117.23 2eej h LEU 64 Ca 0.28 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 2eej h LEU 64 Cb 2.28 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 43.03 2eej h LEU 64 CO 0.73 -0.01 -0.19 0.44 0.09 0.00 0.00 178.44 179.50 2eej h ASP 65 N -0.00 0.71 -1.89 -0.43 5.19 -1.94 -1.84 116.42 116.22 2eej h ASP 65 Ca 0.01 -0.43 -0.61 0.00 -0.62 0.00 0.00 57.03 55.38 2eej h ASP 65 Cb 0.01 -0.20 0.16 0.00 0.18 0.00 0.00 39.33 39.49 2eej h ASP 65 CO -0.02 0.98 -0.95 -0.62 -3.12 0.00 0.00 179.24 175.51 2eej n GLU 66 N -4.34 0.06 -1.22 3.56 -0.58 -1.13 -4.74 120.64 112.26 2eej n GLU 66 Ca -0.03 0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.43 2eej n GLU 66 Cb 0.41 -1.07 0.13 0.00 -0.57 0.00 0.00 31.44 30.34 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 -1.09 1.47 0.46 3.49 0.04 -1.26 -4.28 135.00 133.82 2eej s PRO 67 Ca 0.59 0.89 0.12 0.00 0.04 0.00 0.00 61.00 62.65 2eej s PRO 67 Cb -0.58 -1.83 1.05 0.00 0.04 0.00 0.00 34.50 33.18 2eej s PRO 67 CO 0.63 -2.11 2.07 -0.92 0.04 0.00 0.00 177.00 176.71 2eej h TYR 68 N -1.46 0.20 -0.11 0.56 3.20 -1.91 -0.60 116.97 116.84 2eej h TYR 68 Ca -0.48 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.25 2eej h TYR 68 Cb 1.27 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 2eej h TYR 68 CO 0.46 0.17 -0.51 0.93 -1.64 0.00 0.00 178.16 177.57 2eej h GLU 69 N 0.20 0.30 0.00 1.82 5.08 -1.95 -2.42 114.58 117.62 2eej h GLU 69 Ca 0.05 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2eej h GLU 69 Cb 0.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2eej h GLU 69 CO -0.00 0.74 -0.00 0.87 -1.00 0.00 0.00 179.01 179.62 2eej h LYS 70 N 0.23 -0.00 -0.84 2.33 1.79 -1.65 -2.41 116.57 116.03 2eej h LYS 70 Ca 0.01 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.58 2eej h LYS 70 Cb 0.99 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.56 2eej h LYS 70 CO 0.08 0.84 0.47 -0.39 -1.08 0.00 0.00 179.45 179.37 2eej h VAL 71 N -0.85 0.88 -0.29 0.50 -1.51 -1.20 -0.81 116.25 112.98 2eej h VAL 71 Ca -0.00 -0.27 -0.09 0.00 -1.23 0.00 0.00 66.70 65.11 2eej h VAL 71 Cb 0.84 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 2eej h VAL 71 CO 0.00 0.14 -0.18 1.62 -1.23 0.00 0.00 177.57 177.92 2eej h VAL 72 N 0.78 1.30 -0.75 7.19 3.04 -1.53 -2.72 116.25 123.55 2eej h VAL 72 Ca 0.41 -1.30 0.04 0.00 -1.01 0.00 0.00 66.70 64.84 2eej h VAL 72 Cb 0.41 1.52 -0.04 0.00 -2.01 0.00 0.00 31.29 31.17 2eej h VAL 72 CO -0.26 0.41 0.49 0.44 -1.01 0.00 0.00 177.57 177.64 2eej h ASP 73 N 0.37 0.76 -0.30 3.17 3.32 -0.83 -0.53 116.42 122.38 2eej h ASP 73 Ca 0.06 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 2eej h ASP 73 Cb 0.72 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2eej h ASP 73 CO 0.05 0.51 -0.26 0.03 -1.72 0.00 0.00 179.24 177.85 2eej h ARG 74 N 0.88 0.79 -0.09 3.56 3.08 -1.07 0.78 114.38 122.32 2eej h ARG 74 Ca 0.31 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2eej h ARG 74 Cb 0.12 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2eej h ARG 74 CO -0.09 0.97 -0.06 0.82 -1.07 0.00 0.00 179.97 180.54 2eej h ILE 75 N 0.68 1.34 -0.15 2.04 2.04 -1.00 -1.73 117.51 120.74 2eej h ILE 75 Ca 0.09 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 2eej h ILE 75 Cb 0.79 1.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2eej h ILE 75 CO 0.07 0.31 -0.01 1.56 0.00 0.00 0.00 178.15 180.08 2eej h GLN 76 N -0.20 0.27 -0.66 2.37 1.08 -1.13 -3.01 115.11 113.84 2eej h GLN 76 Ca 0.02 -0.09 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 2eej h GLN 76 Cb 0.53 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 2eej h GLN 76 CO 0.02 0.52 0.43 1.03 -0.95 0.00 0.00 178.83 179.88 2eej h SER 77 N -0.01 0.64 -0.72 1.46 0.87 -0.90 -2.85 113.55 112.04 2eej h SER 77 Ca 0.04 -0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.74 2eej h SER 77 Cb 0.41 -0.14 -0.14 0.00 -0.44 0.00 0.00 62.40 62.09 2eej h SER 77 CO 0.01 0.43 -0.18 -1.54 -0.53 0.00 0.00 176.83 175.02 2eej n SER 78 N -4.47 -0.26 0.00 6.23 3.41 -0.65 -4.87 113.62 113.01 2eej n SER 78 Ca 0.09 1.24 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 2eej n SER 78 Cb 0.17 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.45 1.03 0.02 5.00 0.00 -1.08 -4.74 105.19 103.97 2eej n GLY 79 Ca 0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 2eej n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2eej h LYS 80 N 0.00 0.00 -5.99 1.61 1.63 -1.90 -3.43 116.57 108.48 2eej h LYS 80 Ca 0.00 0.00 -0.61 0.00 -0.85 0.00 0.00 60.65 59.19 2eej h LYS 80 Cb 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.58 2eej h LYS 80 CO 0.00 0.00 -0.36 0.54 -3.45 0.00 0.00 179.45 176.18 2eej s ASN 81 N -3.97 6.50 -0.18 4.20 2.20 -1.26 -1.51 114.94 120.93 2eej s ASN 81 Ca -0.03 0.57 -0.08 0.00 -0.94 0.00 0.00 52.86 52.38 2eej s ASN 81 Cb 0.00 -2.09 0.07 0.00 -2.00 0.00 0.00 41.25 37.24 2eej s ASN 81 CO 0.04 0.19 0.40 0.54 -2.94 0.00 0.00 177.10 175.33 2eej s VAL 82 N -1.42 -0.30 -0.35 3.54 0.11 -1.24 -4.90 120.40 115.84 2eej s VAL 82 Ca 0.32 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 59.30 2eej s VAL 82 Cb -0.13 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 2eej s VAL 82 CO 0.20 0.06 0.68 -0.89 -3.33 0.00 0.00 175.10 171.81 2eej s THR 83 N 1.95 4.85 0.18 5.04 2.01 -1.26 -3.43 115.64 124.98 2eej s THR 83 Ca -0.06 0.70 0.10 0.00 0.31 0.00 0.00 61.69 62.74 2eej s THR 83 Cb -0.10 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2eej s THR 83 CO -0.12 -0.33 -0.18 -0.76 -0.69 0.00 0.00 174.62 172.54 2eej s LEU 84 N 2.81 2.68 -0.31 4.42 1.43 -1.26 -1.63 118.68 126.81 2eej s LEU 84 Ca 0.26 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2eej s LEU 84 Cb -0.14 -1.40 0.07 0.00 0.03 0.00 0.00 46.19 44.75 2eej s LEU 84 CO 0.15 0.12 0.01 -0.22 0.23 0.00 0.00 176.35 176.64 2eej s LEU 85 N -2.70 4.09 -0.02 1.79 0.20 -0.96 -4.11 118.68 116.98 2eej s LEU 85 Ca 0.22 -1.51 0.02 0.00 0.69 0.00 0.00 54.13 53.55 2eej s LEU 85 Cb -0.08 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.96 2eej s LEU 85 CO 0.12 -0.30 -0.05 0.68 -0.29 0.00 0.00 176.35 176.51 2eej s VAL 86 N 1.16 3.78 -0.13 1.68 -7.23 -1.06 0.05 120.40 118.66 2eej s VAL 86 Ca -0.02 -0.65 -0.15 0.00 -1.81 0.00 0.00 61.98 59.35 2eej s VAL 86 Cb -0.20 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.15 2eej s VAL 86 CO -0.03 0.45 0.41 0.00 -0.31 0.00 0.00 175.10 175.61 2eej n GLY 88 N 2.57 0.07 3.68 0.00 0.00 -1.26 -4.55 105.19 105.70 2eej n GLY 88 Ca -0.15 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2eej n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eej s LYS 89 N 0.00 4.15 -0.59 1.61 1.02 -1.26 -4.92 119.74 119.74 2eej s LYS 89 Ca 0.00 2.55 -0.27 0.00 0.02 0.00 0.00 55.97 58.28 2eej s LYS 89 Cb 0.00 -3.85 0.03 0.00 -0.52 0.00 0.00 37.83 33.50 2eej s LYS 89 CO 0.00 -0.88 1.13 0.15 -0.92 0.00 0.00 175.35 174.83 2eej s LYS 90 N 3.50 3.42 0.19 1.68 1.02 -1.26 -4.92 119.74 123.38 2eej s LYS 90 Ca 0.83 0.03 -0.22 0.00 0.02 0.00 0.00 55.97 56.62 2eej s LYS 90 Cb -0.43 -4.05 0.10 0.00 -0.52 0.00 0.00 37.83 32.93 2eej s LYS 90 CO 0.38 -1.68 1.57 1.03 -0.92 0.00 0.00 175.35 175.72 2eej h SER 91 N 9.53 -1.40 -4.07 2.83 0.87 -1.96 -3.48 113.55 115.88 2eej h SER 91 Ca -0.26 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2eej h SER 91 Cb 1.06 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 2eej h SER 91 CO 1.17 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 2eej n GLY 92 N -1.42 -2.42 0.00 5.77 0.00 -1.26 -4.56 105.19 101.29 2eej n GLY 92 Ca 0.04 -1.33 0.06 0.00 0.00 0.00 0.00 46.02 44.80 2eej n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eej n PRO 93 N -1.23 0.49 -0.89 1.61 -0.04 -1.26 -4.82 135.00 128.85 2eej n PRO 93 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2eej n PRO 93 Cb 0.00 -1.41 0.15 0.00 -0.04 0.00 0.00 33.50 32.19 2eej n PRO 93 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2eej s SER 94 N -1.92 3.35 0.00 3.54 1.04 -1.26 -5.00 113.70 113.46 2eej s SER 94 Ca 0.19 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.63 2eej s SER 94 Cb 0.09 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2eej s SER 94 CO 0.15 -2.80 0.00 -0.24 0.98 0.00 0.00 173.24 171.33 2eej n SER 95 N -4.03 0.29 0.00 7.02 2.88 -1.26 -5.16 113.62 113.36 2eej n SER 95 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2eej n SER 95 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2eej n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42