#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 4.50 -0.24 1.61 0.01 -1.26 -4.83 113.70 113.50 2eej s SER 2 Ca 0.00 -0.70 -0.17 0.00 1.31 0.00 0.00 55.95 56.39 2eej s SER 2 Cb 0.00 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.73 2eej s SER 2 CO 0.00 -3.44 0.60 -0.94 0.41 0.00 0.00 173.24 169.87 2eej s SER 3 N 8.64 -0.72 0.00 2.44 1.04 -1.26 -5.04 113.70 118.79 2eej s SER 3 Ca 0.78 1.27 0.00 0.00 0.48 0.00 0.00 55.95 58.47 2eej s SER 3 Cb -0.07 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.25 2eej s SER 3 CO 0.07 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2eej n GLY 4 N 3.60 0.67 3.28 7.32 0.00 -1.26 -5.05 105.19 113.75 2eej n GLY 4 Ca -0.18 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.21 6.45 0.11 1.61 0.01 -1.26 -5.05 113.70 114.35 2eej s SER 5 Ca 0.00 -2.77 -0.26 0.00 1.31 0.00 0.00 55.95 54.23 2eej s SER 5 Cb 0.00 -2.13 -0.07 0.00 0.21 0.00 0.00 66.02 64.03 2eej s SER 5 CO 0.00 -0.52 0.80 -0.44 0.41 0.00 0.00 173.24 173.49 2eej s SER 6 N 1.79 7.33 0.00 2.44 0.01 -1.26 -4.41 113.70 119.60 2eej s SER 6 Ca 0.18 1.59 0.00 0.00 1.31 0.00 0.00 55.95 59.03 2eej s SER 6 Cb -0.12 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2eej s SER 6 CO -0.08 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2eej n GLY 7 N 2.03 2.85 3.77 3.44 0.00 -1.26 -5.12 105.19 110.90 2eej n GLY 7 Ca -0.03 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2eej n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eej s PRO 8 N 0.00 2.74 -0.12 1.61 0.04 -1.26 -4.43 135.00 133.58 2eej s PRO 8 Ca 0.00 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 2eej s PRO 8 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2eej s PRO 8 CO 0.00 -1.29 0.11 -1.59 0.04 0.00 0.00 177.00 174.27 2eej s LYS 9 N -4.18 3.41 -0.24 4.56 -2.85 0.78 -4.92 119.74 116.31 2eej s LYS 9 Ca 0.66 -0.20 -0.12 0.00 -1.00 0.00 0.00 55.97 55.32 2eej s LYS 9 Cb -0.20 -3.13 -0.05 0.00 -2.06 0.00 0.00 37.83 32.40 2eej s LYS 9 CO 0.43 0.72 0.21 -1.17 0.10 0.00 0.00 175.35 175.64 2eej s LEU 10 N -0.87 4.10 0.04 2.77 1.98 -1.26 -2.47 118.68 122.97 2eej s LEU 10 Ca 0.14 0.15 0.04 0.00 -2.89 0.00 0.00 54.13 51.57 2eej s LEU 10 Cb -0.12 -2.18 -0.02 0.00 0.66 0.00 0.00 46.19 44.53 2eej s LEU 10 CO 0.03 0.01 -0.13 0.00 -1.89 0.00 0.00 176.35 174.38 2eej s ARG 12 N -1.27 3.05 0.02 0.00 0.52 -1.26 -2.76 118.95 117.25 2eej s ARG 12 Ca -0.01 -1.01 0.02 0.00 -0.52 0.00 0.00 55.73 54.21 2eej s ARG 12 Cb -0.08 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 2eej s ARG 12 CO 0.01 0.31 -0.08 -0.51 0.02 0.00 0.00 175.30 175.06 2eej s LEU 13 N -3.95 2.15 -0.12 2.53 1.43 -1.10 -4.75 118.68 114.88 2eej s LEU 13 Ca 0.36 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2eej s LEU 13 Cb -0.08 -0.26 0.04 0.00 0.03 0.00 0.00 46.19 45.92 2eej s LEU 13 CO 0.27 -0.07 -0.00 0.00 0.23 0.00 0.00 176.35 176.78 2eej s ALA 14 N -0.84 0.90 0.01 4.21 0.00 -1.26 -3.34 121.76 121.45 2eej s ALA 14 Ca -0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 2eej s ALA 14 Cb -0.07 -0.91 -0.07 0.00 0.00 0.00 0.00 23.12 22.08 2eej s ALA 14 CO 0.00 -0.67 1.69 0.21 0.00 0.00 0.00 175.76 177.00 2eej s LYS 15 N 1.89 4.18 0.00 0.00 2.20 -0.04 -4.61 119.74 123.37 2eej s LYS 15 Ca 0.03 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 2eej s LYS 15 Cb -0.14 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 2eej s LYS 15 CO -0.06 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.53 2eej n GLY 16 N 4.12 0.91 0.06 5.54 0.00 -1.22 -4.94 105.19 109.66 2eej n GLY 16 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 1.61 4.81 -1.97 -3.44 114.58 115.59 2eej h GLU 17 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2eej h GLU 17 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2eej h GLU 17 CO 0.00 0.41 -0.63 0.27 -0.73 0.00 0.00 179.01 178.33 2eej n ASN 18 N -4.70 1.33 -1.76 1.04 6.94 -1.26 -5.11 115.26 111.75 2eej n ASN 18 Ca -0.05 0.28 -0.05 0.00 -0.02 0.00 0.00 54.58 54.74 2eej n ASN 18 Cb 0.22 -0.68 -0.00 0.00 -2.36 0.00 0.00 39.78 36.95 2eej n ASN 18 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2eej n GLY 19 N 1.51 2.38 0.45 4.83 0.00 -1.26 -5.06 105.19 108.03 2eej n GLY 19 Ca -0.09 -1.36 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 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 1.40 -1.26 0.00 1.61 0.05 -1.93 -3.22 116.97 113.62 2eej h TYR 20 Ca -0.11 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2eej h TYR 20 Cb 0.47 0.49 0.00 0.00 1.01 0.00 0.00 36.73 38.70 2eej h TYR 20 CO 0.00 -0.60 0.00 0.41 -1.05 0.00 0.00 178.16 176.92 2eej n GLY 21 N -1.50 3.54 3.95 3.88 0.00 -1.26 -4.24 105.19 109.55 2eej n GLY 21 Ca -0.11 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.04 2.50 0.28 1.61 -0.71 -1.26 -4.04 117.98 116.33 2eej s PHE 22 Ca 0.00 0.23 0.06 0.00 -1.04 0.00 0.00 56.93 56.18 2eej s PHE 22 Cb 0.00 -3.21 -0.02 0.00 -1.21 0.00 0.00 43.02 38.58 2eej s PHE 22 CO 0.00 -1.54 0.23 0.72 -1.34 0.00 0.00 175.22 173.30 2eej n HIS 23 N -2.93 -0.65 -4.30 3.49 8.25 0.16 -4.92 115.22 114.33 2eej n HIS 23 Ca 0.10 -2.35 -0.28 0.00 -0.26 0.00 0.00 57.72 54.93 2eej n HIS 23 Cb 0.60 0.24 -0.10 0.00 1.12 0.00 0.00 29.99 31.85 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 2.85 -0.17 2.41 1.02 -1.26 -0.26 118.68 123.27 2eej s LEU 24 Ca 0.33 -0.58 -0.08 0.00 0.02 0.00 0.00 54.13 53.83 2eej s LEU 24 Cb 0.02 -1.60 0.07 0.00 0.02 0.00 0.00 46.19 44.69 2eej s LEU 24 CO 0.23 0.14 0.39 0.21 0.02 0.00 0.00 176.35 177.34 2eej s ASN 25 N -2.52 -0.36 -0.33 2.29 3.84 0.90 -4.80 114.94 113.95 2eej s ASN 25 Ca 0.22 0.87 -0.29 0.00 0.21 0.00 0.00 52.86 53.87 2eej s ASN 25 Cb -0.10 0.89 0.01 0.00 -0.55 0.00 0.00 41.25 41.50 2eej s ASN 25 CO 0.13 -0.20 1.18 0.00 -2.79 0.00 0.00 177.10 175.42 2eej s ALA 26 N 1.78 3.40 -0.31 1.71 0.00 -1.26 -2.32 121.76 124.75 2eej s ALA 26 Ca -0.07 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2eej s ALA 26 Cb -0.10 -3.75 -0.01 0.00 0.00 0.00 0.00 23.12 19.27 2eej s ALA 26 CO -0.12 -1.71 0.61 0.42 0.00 0.00 0.00 175.76 174.97 2eej s ILE 27 N 4.07 4.95 -1.02 0.00 -1.09 -1.26 -4.97 121.20 121.87 2eej s ILE 27 Ca 0.50 0.78 -0.25 0.00 -2.23 0.00 0.00 60.65 59.46 2eej s ILE 27 Cb -0.13 -4.00 -0.13 0.00 -1.58 0.00 0.00 42.46 36.62 2eej s ILE 27 CO 0.21 -0.15 2.09 -0.60 -1.23 0.00 0.00 174.94 175.25 2eej s ARG 28 N 2.59 1.91 0.00 2.79 3.52 -1.26 -2.91 118.95 125.58 2eej s ARG 28 Ca 0.24 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 2eej s ARG 28 Cb -0.15 -5.04 0.00 0.00 -1.56 0.00 0.00 34.95 28.20 2eej s ARG 28 CO 0.12 -4.45 0.00 0.41 -0.81 0.00 0.00 175.30 170.57 2eej n GLY 29 N 6.31 0.16 3.15 8.12 0.00 -1.26 -5.15 105.19 116.53 2eej n GLY 29 Ca 0.43 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 2.34 0.96 0.99 1.43 -1.15 -5.16 118.68 118.09 2eej s LEU 30 Ca 0.00 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 2eej s LEU 30 Cb 0.00 -0.33 0.17 0.00 0.03 0.00 0.00 46.19 46.05 2eej s LEU 30 CO 0.00 -0.20 1.09 -2.16 0.23 0.00 0.00 176.35 175.31 2eej s PRO 31 N -2.24 0.75 0.00 1.29 0.04 -1.26 -4.61 135.00 128.96 2eej s PRO 31 Ca 0.00 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2eej s PRO 31 Cb -0.06 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2eej s PRO 31 CO 0.01 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 174.91 2eej n GLY 32 N -1.09 -0.75 3.87 0.56 0.00 -1.23 -4.99 105.19 101.56 2eej n GLY 32 Ca 0.06 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.64 5.94 0.02 1.61 1.04 -1.26 -4.64 113.70 113.78 2eej s SER 33 Ca 0.00 0.03 0.08 0.00 0.48 0.00 0.00 55.95 56.54 2eej s SER 33 Cb 0.00 -1.69 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 2eej s SER 33 CO 0.00 0.07 -0.24 -0.36 0.98 0.00 0.00 173.24 173.69 2eej s PHE 34 N -1.73 2.10 0.05 5.02 0.40 -0.98 -1.70 117.98 121.14 2eej s PHE 34 Ca 0.33 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.96 2eej s PHE 34 Cb -0.11 -1.29 -0.05 0.00 0.51 0.00 0.00 43.02 42.09 2eej s PHE 34 CO 0.26 0.06 1.11 0.42 0.70 0.00 0.00 175.22 177.77 2eej s ILE 35 N -0.71 4.31 0.03 0.64 1.01 -0.03 -0.07 121.20 126.38 2eej s ILE 35 Ca 0.10 1.68 -0.12 0.00 0.00 0.00 0.00 60.65 62.31 2eej s ILE 35 Cb -0.09 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.31 2eej s ILE 35 CO 0.01 0.14 0.26 -0.75 0.00 0.00 0.00 174.94 174.60 2eej s LYS 36 N 0.93 0.72 -0.89 2.79 2.47 0.64 -3.71 119.74 122.69 2eej s LYS 36 Ca 0.56 -0.46 -0.02 0.00 -1.56 0.00 0.00 55.97 54.49 2eej s LYS 36 Cb -0.26 0.31 0.00 0.00 -1.46 0.00 0.00 37.83 36.41 2eej s LYS 36 CO 0.29 -0.21 0.75 0.39 0.16 0.00 0.00 175.35 176.73 2eej n GLU 37 N 0.84 -5.01 -3.37 4.03 1.02 -1.26 0.40 120.64 117.28 2eej n GLU 37 Ca -0.20 0.61 -0.40 0.00 -0.02 0.00 0.00 57.16 57.15 2eej n GLU 37 Cb 0.58 -4.92 -0.09 0.00 -0.02 0.00 0.00 31.44 26.99 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 -3.25 5.15 0.30 2.62 0.11 -1.26 -3.98 120.40 120.09 2eej s VAL 38 Ca 0.11 0.50 -0.29 0.00 -2.93 0.00 0.00 61.98 59.37 2eej s VAL 38 Cb -0.05 -3.74 -0.10 0.00 -1.53 0.00 0.00 36.38 30.96 2eej s VAL 38 CO 0.52 0.09 1.28 -1.58 -3.33 0.00 0.00 175.10 172.08 2eej s GLN 39 N 2.11 4.40 -0.19 1.54 2.00 -1.26 -4.95 119.66 123.31 2eej s GLN 39 Ca 0.15 2.13 -0.29 0.00 -2.00 0.00 0.00 55.36 55.35 2eej s GLN 39 Cb -0.16 -3.11 0.00 0.00 0.80 0.00 0.00 33.01 30.54 2eej s GLN 39 CO 0.10 -0.14 1.06 0.21 -0.50 0.00 0.00 175.29 176.02 2eej s LYS 40 N -1.44 4.30 0.00 1.67 2.47 -1.26 -3.37 119.74 122.11 2eej s LYS 40 Ca 0.50 1.41 0.00 0.00 -1.56 0.00 0.00 55.97 56.31 2eej s LYS 40 Cb -0.38 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.36 2eej s LYS 40 CO 0.48 -0.55 0.00 0.41 0.16 0.00 0.00 175.35 175.85 2eej n GLY 41 N 3.29 1.75 0.00 5.54 0.00 -1.26 -5.06 105.19 109.45 2eej n GLY 41 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.98 0.07 -0.02 0.00 -1.22 -4.46 105.19 96.37 2eej n GLY 42 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.05 -0.67 1.61 0.13 -1.82 -1.43 132.00 129.77 2eej h PRO 43 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.21 2eej h PRO 43 Cb 0.00 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.08 2eej h PRO 43 CO 0.00 0.42 0.35 0.00 -0.23 0.00 0.00 178.00 178.54 2eej h ALA 44 N 0.39 0.90 0.53 -0.56 0.00 -1.85 -1.98 119.26 116.70 2eej h ALA 44 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2eej h ALA 44 Cb 0.49 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2eej h ALA 44 CO 0.01 -0.01 -0.26 0.22 0.00 0.00 0.00 179.25 179.21 2eej h ASP 45 N 0.63 -0.60 -0.97 0.00 3.58 -1.75 0.50 116.42 117.79 2eej h ASP 45 Ca 0.31 0.02 0.32 0.00 0.42 0.00 0.00 57.03 58.10 2eej h ASP 45 Cb 0.26 0.16 -0.18 0.00 1.72 0.00 0.00 39.33 41.29 2eej h ASP 45 CO -0.22 -0.29 0.19 0.18 -2.88 0.00 0.00 179.24 176.22 2eej n LEU 46 N -4.70 0.04 -0.19 2.28 4.77 -0.54 0.19 117.00 118.84 2eej n LEU 46 Ca -0.09 1.64 -0.06 0.00 -0.03 0.00 0.00 56.01 57.47 2eej n LEU 46 Cb 0.28 -0.67 0.09 0.00 -2.33 0.00 0.00 43.42 40.79 2eej n LEU 46 CO 0.21 -1.72 0.90 0.00 -1.33 0.00 0.00 177.39 175.45 2eej h ALA 47 N 1.95 0.99 0.00 -1.18 0.00 -1.35 -3.47 119.26 116.19 2eej h ALA 47 Ca 0.67 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2eej h ALA 47 Cb 1.54 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2eej h ALA 47 CO -0.86 0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.43 2eej n GLY 48 N -0.62 0.92 3.63 0.00 0.00 0.50 -4.98 105.19 104.65 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 3.64 0.00 0.99 1.43 0.13 -5.00 118.68 119.87 2eej s LEU 49 Ca 0.00 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2eej s LEU 49 Cb 0.00 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2eej s LEU 49 CO 0.00 0.24 0.09 -0.62 0.23 0.00 0.00 176.35 176.29 2eej n GLU 50 N 3.05 1.11 -0.29 1.70 1.02 -1.26 -4.36 120.64 121.61 2eej n GLU 50 Ca -0.18 -2.37 -0.05 0.00 -0.02 0.00 0.00 57.16 54.55 2eej n GLU 50 Cb 0.53 0.51 0.05 0.00 -0.02 0.00 0.00 31.44 32.51 2eej n GLU 50 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2eej n ASP 51 N -1.44 3.03 0.00 1.62 8.00 -1.26 -3.45 116.55 123.05 2eej n ASP 51 Ca -0.10 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.03 2eej n ASP 51 Cb 0.42 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2eej n GLU 52 N 0.10 2.06 -0.84 -1.24 -0.58 -1.24 -4.76 120.64 114.15 2eej n GLU 52 Ca 0.14 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.55 2eej n GLU 52 Cb 0.74 -0.78 0.13 0.00 -0.57 0.00 0.00 31.44 30.96 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 -1.39 -1.27 -4.14 1.62 9.92 -1.22 -4.70 116.55 115.37 2eej n ASP 53 Ca 0.00 0.39 -0.18 0.00 -0.53 0.00 0.00 54.79 54.48 2eej n ASP 53 Cb 0.28 -1.29 -0.12 0.00 -0.64 0.00 0.00 41.12 39.35 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 -2.38 0.98 -0.95 2.53 -7.23 -1.26 -0.85 120.40 111.24 2eej s VAL 54 Ca 0.61 -1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 59.41 2eej s VAL 54 Cb -0.23 -0.95 0.11 0.00 0.56 0.00 0.00 36.38 35.87 2eej s VAL 54 CO 0.63 -0.20 1.21 -0.63 -0.31 0.00 0.00 175.10 175.81 2eej s ILE 55 N -1.18 4.51 -0.02 -0.62 1.09 -0.69 -3.99 121.20 120.30 2eej s ILE 55 Ca -0.03 -1.35 -0.06 0.00 -1.10 0.00 0.00 60.65 58.12 2eej s ILE 55 Cb -0.09 -4.85 -0.03 0.00 -1.06 0.00 0.00 42.46 36.42 2eej s ILE 55 CO 0.02 -1.62 0.42 0.40 -0.10 0.00 0.00 174.94 174.05 2eej h ILE 56 N 6.09 0.00 -2.00 2.92 2.04 -1.64 -3.40 117.51 121.53 2eej h ILE 56 Ca 0.17 -0.32 -0.54 0.00 1.00 0.00 0.00 64.86 65.16 2eej h ILE 56 Cb 1.02 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 2eej h ILE 56 CO 1.19 0.00 -0.57 -1.61 0.00 0.00 0.00 178.15 177.17 2eej s GLU 57 N -2.29 2.40 -0.17 2.37 2.02 -1.20 -2.40 118.70 119.42 2eej s GLU 57 Ca -0.03 -1.46 -0.04 0.00 0.02 0.00 0.00 54.97 53.46 2eej s GLU 57 Cb 0.00 -2.21 0.08 0.00 0.10 0.00 0.00 34.13 32.11 2eej s GLU 57 CO 0.09 0.21 0.25 0.54 0.02 0.00 0.00 175.26 176.37 2eej s VAL 58 N -2.37 -0.38 -1.71 2.63 0.11 -0.41 -3.00 120.40 115.28 2eej s VAL 58 Ca 0.36 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 2eej s VAL 58 Cb -0.04 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2eej s VAL 58 CO 0.22 -0.06 0.00 0.59 -3.33 0.00 0.00 175.10 172.52 2eej n ASN 59 N 5.34 -5.20 -1.06 3.54 3.02 -1.12 -3.30 115.26 116.47 2eej n ASN 59 Ca -0.05 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2eej n ASN 59 Cb 0.50 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 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 -0.90 0.81 3.64 7.41 0.00 -1.26 -5.09 105.19 109.79 2eej n GLY 60 Ca -0.20 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.71 0.00 -0.74 1.61 0.11 -1.21 -5.11 120.40 112.35 2eej s VAL 61 Ca 0.00 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 2eej s VAL 61 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2eej s VAL 61 CO 0.00 0.00 1.45 0.21 -3.33 0.00 0.00 175.10 173.43 2eej s ASN 62 N 0.79 5.95 -0.17 3.54 3.84 -1.26 -1.29 114.94 126.34 2eej s ASN 62 Ca -0.03 -0.37 0.16 0.00 0.21 0.00 0.00 52.86 52.84 2eej s ASN 62 Cb -0.04 -2.55 0.77 0.00 -0.55 0.00 0.00 41.25 38.87 2eej s ASN 62 CO -0.10 -1.97 1.69 1.33 -2.79 0.00 0.00 177.10 175.26 2eej n VAL 63 N 6.67 2.27 0.04 -5.21 0.24 -1.01 -4.58 118.33 116.76 2eej n VAL 63 Ca 0.11 -1.31 -0.11 0.00 -2.04 0.00 0.00 64.34 60.99 2eej n VAL 63 Cb 0.50 -0.06 -0.04 0.00 -1.47 0.00 0.00 33.84 32.76 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 4.03 -0.80 -0.38 1.34 3.38 -1.81 -2.42 115.31 118.65 2eej h LEU 64 Ca 0.00 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2eej h LEU 64 Cb 1.70 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 2eej h LEU 64 CO 0.35 -0.33 0.17 -0.78 0.09 0.00 0.00 178.44 177.95 2eej h ASP 65 N -0.39 0.24 -1.81 -0.43 1.82 -1.93 -3.25 116.42 110.68 2eej h ASP 65 Ca 0.07 0.02 -0.62 0.00 -0.39 0.00 0.00 57.03 56.11 2eej h ASP 65 Cb 0.49 -0.02 0.15 0.00 0.68 0.00 0.00 39.33 40.63 2eej h ASP 65 CO -0.26 0.18 -0.71 -0.62 -1.61 0.00 0.00 179.24 176.22 2eej n GLU 66 N -4.95 0.19 -1.27 0.28 -0.58 -0.91 -4.88 120.64 108.52 2eej n GLU 66 Ca 0.01 0.07 -0.31 0.00 -0.42 0.00 0.00 57.16 56.51 2eej n GLU 66 Cb 0.10 -1.17 0.09 0.00 -0.57 0.00 0.00 31.44 29.90 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 -1.19 2.27 0.48 3.49 0.04 -1.26 -4.71 135.00 134.12 2eej s PRO 67 Ca 0.61 1.17 0.15 0.00 0.04 0.00 0.00 61.00 62.98 2eej s PRO 67 Cb -0.66 -1.90 1.16 0.00 0.04 0.00 0.00 34.50 33.13 2eej s PRO 67 CO 0.60 -1.64 2.08 -0.92 0.04 0.00 0.00 177.00 177.16 2eej h TYR 68 N -1.10 0.19 0.00 0.56 5.03 -1.91 0.38 116.97 120.12 2eej h TYR 68 Ca -0.44 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 60.80 2eej h TYR 68 Cb 1.23 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 2eej h TYR 68 CO 0.58 0.11 -0.39 0.93 -1.32 0.00 0.00 178.16 178.07 2eej h GLU 69 N 0.20 0.00 0.00 1.82 5.08 -2.00 -2.73 114.58 116.95 2eej h GLU 69 Ca 0.12 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2eej h GLU 69 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2eej h GLU 69 CO -0.02 0.39 -0.42 0.87 -1.00 0.00 0.00 179.01 178.83 2eej h LYS 70 N 0.00 0.00 -0.89 2.33 1.79 -1.35 -3.19 116.57 115.26 2eej h LYS 70 Ca -0.00 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.67 2eej h LYS 70 Cb 0.83 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.36 2eej h LYS 70 CO 0.05 0.57 0.40 -0.39 -1.08 0.00 0.00 179.45 179.00 2eej h VAL 71 N -1.00 0.52 -0.52 0.50 -1.51 -1.16 0.89 116.25 113.97 2eej h VAL 71 Ca -0.09 -0.15 -0.05 0.00 -1.23 0.00 0.00 66.70 65.19 2eej h VAL 71 Cb 0.74 0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 29.92 2eej h VAL 71 CO -0.05 0.08 0.15 1.62 -1.23 0.00 0.00 177.57 178.13 2eej h VAL 72 N 0.44 1.24 -0.46 7.19 3.04 -1.64 -2.04 116.25 124.02 2eej h VAL 72 Ca 0.54 -0.82 0.03 0.00 -1.01 0.00 0.00 66.70 65.45 2eej h VAL 72 Cb 0.99 0.77 -0.04 0.00 -2.01 0.00 0.00 31.29 31.01 2eej h VAL 72 CO -0.50 0.30 0.24 -0.78 -1.01 0.00 0.00 177.57 175.82 2eej h ASP 73 N 0.73 0.36 -0.24 3.17 3.58 -0.85 0.71 116.42 123.88 2eej h ASP 73 Ca 0.17 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2eej h ASP 73 Cb 0.30 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2eej h ASP 73 CO -0.00 0.26 0.12 0.03 -2.88 0.00 0.00 179.24 176.77 2eej h ARG 74 N 0.48 0.34 0.05 0.28 3.08 -1.14 0.35 114.38 117.83 2eej h ARG 74 Ca 0.19 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2eej h ARG 74 Cb 0.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2eej h ARG 74 CO -0.12 0.34 -0.03 0.82 -1.07 0.00 0.00 179.97 179.91 2eej h ILE 75 N 0.27 0.96 -0.36 2.04 2.04 -1.03 0.25 117.51 121.67 2eej h ILE 75 Ca 0.08 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 2eej h ILE 75 Cb 0.10 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2eej h ILE 75 CO -0.01 0.01 0.11 1.56 0.00 0.00 0.00 178.15 179.82 2eej h GLN 76 N -0.09 0.57 -0.84 2.37 1.08 -0.78 -2.85 115.11 114.57 2eej h GLN 76 Ca -0.01 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2eej h GLN 76 Cb 0.07 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2eej h GLN 76 CO 0.01 0.59 0.55 1.03 -0.95 0.00 0.00 178.83 180.06 2eej h SER 77 N 0.44 0.94 -0.73 1.46 0.87 -0.16 -2.90 113.55 113.47 2eej h SER 77 Ca 0.12 -0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.80 2eej h SER 77 Cb 0.26 -0.23 -0.14 0.00 -0.44 0.00 0.00 62.40 61.86 2eej h SER 77 CO -0.00 0.67 -0.20 -1.20 -0.53 0.00 0.00 176.83 175.57 2eej n SER 78 N -4.42 -0.29 0.00 6.23 7.64 0.07 -4.89 113.62 117.95 2eej n SER 78 Ca 0.10 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.24 2eej n SER 78 Cb 0.06 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2eej n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eej n GLY 79 N -1.44 0.15 0.13 0.23 0.00 -1.10 -4.72 105.19 98.43 2eej n GLY 79 Ca 0.11 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 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 0.65 -3.87 1.61 2.85 -1.26 -4.80 118.16 113.34 2eej n LYS 80 Ca 0.00 0.30 -0.36 0.00 -1.05 0.00 0.00 58.31 57.21 2eej n LYS 80 Cb 0.00 -1.62 -0.11 0.00 -0.65 0.00 0.00 35.03 32.65 2eej n LYS 80 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2eej s ASN 81 N -6.96 5.55 -0.15 -5.58 2.20 -1.26 -0.86 114.94 107.88 2eej s ASN 81 Ca -0.31 -0.01 -0.09 0.00 -0.94 0.00 0.00 52.86 51.51 2eej s ASN 81 Cb 0.09 -1.98 0.05 0.00 -2.00 0.00 0.00 41.25 37.41 2eej s ASN 81 CO 0.63 0.08 0.37 0.54 -2.94 0.00 0.00 177.10 175.78 2eej s VAL 82 N 0.95 -0.02 -0.30 3.54 0.11 -1.21 -4.95 120.40 118.51 2eej s VAL 82 Ca 0.05 0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 59.03 2eej s VAL 82 Cb -0.14 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2eej s VAL 82 CO 0.03 0.03 0.36 -0.89 -3.33 0.00 0.00 175.10 171.30 2eej s THR 83 N 1.09 5.17 -0.08 5.04 2.01 -1.26 -2.69 115.64 124.92 2eej s THR 83 Ca -0.07 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.26 2eej s THR 83 Cb -0.07 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2eej s THR 83 CO -0.09 0.05 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.06 2eej s LEU 84 N 2.04 3.15 -0.37 4.42 1.02 -1.11 -2.80 118.68 125.03 2eej s LEU 84 Ca 0.13 -0.05 -0.06 0.00 0.02 0.00 0.00 54.13 54.17 2eej s LEU 84 Cb -0.16 -1.69 0.06 0.00 0.02 0.00 0.00 46.19 44.42 2eej s LEU 84 CO 0.11 0.34 0.16 -0.22 0.02 0.00 0.00 176.35 176.75 2eej s LEU 85 N -0.64 4.67 0.21 1.79 0.20 -1.16 -2.99 118.68 120.76 2eej s LEU 85 Ca 0.10 -1.39 0.06 0.00 0.69 0.00 0.00 54.13 53.60 2eej s LEU 85 Cb -0.11 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.72 2eej s LEU 85 CO 0.02 -0.42 0.14 0.68 -0.29 0.00 0.00 176.35 176.48 2eej s VAL 86 N 1.36 4.31 -0.13 1.68 -7.23 -1.03 -1.70 120.40 117.67 2eej s VAL 86 Ca 0.01 -1.31 -0.05 0.00 -1.81 0.00 0.00 61.98 58.82 2eej s VAL 86 Cb -0.21 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 2eej s VAL 86 CO 0.01 -0.22 0.05 0.00 -0.31 0.00 0.00 175.10 174.63 2eej n GLY 88 N 2.58 0.58 3.61 0.00 0.00 -1.26 -4.68 105.19 106.02 2eej n GLY 88 Ca -0.18 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.38 3.71 -0.07 1.61 -0.14 -1.26 -4.96 119.74 116.24 2eej s LYS 89 Ca 0.64 1.04 -0.30 0.00 -1.36 0.00 0.00 55.97 56.00 2eej s LYS 89 Cb -0.48 -3.97 -0.06 0.00 -1.68 0.00 0.00 37.83 31.64 2eej s LYS 89 CO 0.56 -1.39 1.77 -1.59 -0.76 0.00 0.00 175.35 173.93 2eej s LYS 90 N 4.63 4.03 0.77 1.68 -2.85 -1.26 -4.99 119.74 121.76 2eej s LYS 90 Ca 0.59 2.20 -0.07 0.00 -1.00 0.00 0.00 55.97 57.69 2eej s LYS 90 Cb -0.15 -4.07 0.12 0.00 -2.06 0.00 0.00 37.83 31.67 2eej s LYS 90 CO 0.29 -1.04 1.08 -1.54 0.10 0.00 0.00 175.35 174.24 2eej s SER 91 N 4.12 4.25 0.00 0.03 1.04 -1.26 -5.07 113.70 116.81 2eej s SER 91 Ca 0.79 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2eej s SER 91 Cb -0.34 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.23 2eej s SER 91 CO 0.33 -1.95 0.00 0.61 0.98 0.00 0.00 173.24 173.21 2eej n GLY 92 N -3.09 -1.76 3.77 7.32 0.00 -1.26 -5.17 105.19 105.00 2eej n GLY 92 Ca 0.12 0.78 -0.31 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 2.29 -0.10 1.61 0.04 -1.26 -5.05 135.00 132.54 2eej s PRO 93 Ca 0.00 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 2eej s PRO 93 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2eej s PRO 93 CO 0.00 -1.62 0.02 -1.54 0.04 0.00 0.00 177.00 173.90 2eej s SER 94 N -3.32 5.39 0.46 6.66 1.04 -1.26 -5.12 113.70 117.55 2eej s SER 94 Ca 0.62 0.18 0.05 0.00 0.48 0.00 0.00 55.95 57.27 2eej s SER 94 Cb -0.17 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.38 2eej s SER 94 CO 0.55 0.37 0.64 -0.44 0.98 0.00 0.00 173.24 175.33 2eej s SER 95 N -0.81 5.57 0.00 7.02 0.01 -1.26 -5.38 113.70 118.85 2eej s SER 95 Ca 0.13 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2eej s SER 95 Cb -0.12 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.26 2eej s SER 95 CO 0.02 -0.85 0.25 0.61 0.41 0.00 0.00 173.24 173.68