#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 1.91 -4.71 1.61 2.88 -1.26 -4.93 113.62 109.13 2eej n SER 2 Ca 0.00 0.40 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 2eej n SER 2 Cb 0.00 -0.80 -0.03 0.00 -0.75 0.00 0.00 64.21 62.64 2eej n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eej s SER 3 N -6.25 6.78 0.39 -3.46 1.04 -1.26 -5.01 113.70 105.93 2eej s SER 3 Ca -0.28 2.32 0.05 0.00 0.48 0.00 0.00 55.95 58.52 2eej s SER 3 Cb 0.06 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 2eej s SER 3 CO 0.41 -0.71 0.03 -0.83 0.98 0.00 0.00 173.24 173.12 2eej s GLY 4 N 1.47 2.40 -0.46 7.32 0.00 -1.26 -5.11 107.32 111.68 2eej s GLY 4 Ca 0.66 -2.03 -0.18 0.00 0.00 0.00 0.00 44.72 43.17 2eej s GLY 4 CO 0.30 -1.99 0.52 -0.56 0.00 0.00 0.00 173.10 171.37 2eej s SER 5 N -3.64 6.22 -0.35 1.64 0.01 -1.26 -5.03 113.70 111.29 2eej s SER 5 Ca 0.33 -0.77 -0.08 0.00 1.31 0.00 0.00 55.95 56.74 2eej s SER 5 Cb 0.09 -2.26 0.04 0.00 0.21 0.00 0.00 66.02 64.10 2eej s SER 5 CO 0.16 -0.72 0.14 -0.44 0.41 0.00 0.00 173.24 172.79 2eej s SER 6 N 2.21 5.47 0.00 2.44 0.01 -1.26 -4.77 113.70 117.80 2eej s SER 6 Ca 0.14 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2eej s SER 6 Cb -0.18 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2eej s SER 6 CO 0.13 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2eej n GLY 7 N 4.88 -2.27 2.22 3.44 0.00 -1.26 -5.16 105.19 107.04 2eej n GLY 7 Ca -0.12 0.73 -0.19 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 -2.39 -2.68 1.61 -0.04 -1.26 -4.98 135.00 125.26 2eej n PRO 8 Ca 0.00 -1.11 -0.42 0.00 -0.04 0.00 0.00 63.50 61.93 2eej n PRO 8 Cb 0.00 -1.04 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 -4.57 4.48 -0.19 0.54 1.02 -0.71 -4.99 119.74 115.31 2eej s LYS 9 Ca 0.45 1.42 -0.02 0.00 0.02 0.00 0.00 55.97 57.85 2eej s LYS 9 Cb -0.04 -3.51 -0.00 0.00 -0.52 0.00 0.00 37.83 33.76 2eej s LYS 9 CO 0.35 -0.21 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.28 2eej s LEU 10 N 1.60 2.60 -0.01 3.17 1.98 -1.26 -2.50 118.68 124.26 2eej s LEU 10 Ca 0.50 -0.47 0.00 0.00 -2.89 0.00 0.00 54.13 51.28 2eej s LEU 10 Cb -0.20 -1.63 0.01 0.00 0.66 0.00 0.00 46.19 45.03 2eej s LEU 10 CO 0.22 0.02 -0.01 0.00 -1.89 0.00 0.00 176.35 174.69 2eej s ARG 12 N 0.27 3.46 0.07 0.00 3.00 -1.26 -2.79 118.95 121.70 2eej s ARG 12 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 55.73 55.59 2eej s ARG 12 Cb -0.04 -3.17 -0.04 0.00 0.00 0.00 0.00 34.95 31.70 2eej s ARG 12 CO -0.01 0.75 0.00 -0.51 0.00 0.00 0.00 175.30 175.54 2eej s LEU 13 N -1.26 3.49 -0.22 2.53 1.43 -0.29 -4.82 118.68 119.55 2eej s LEU 13 Ca 0.18 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2eej s LEU 13 Cb -0.12 -2.18 0.07 0.00 0.03 0.00 0.00 46.19 43.99 2eej s LEU 13 CO 0.08 0.20 0.08 0.00 0.23 0.00 0.00 176.35 176.94 2eej s ALA 14 N -1.27 0.78 -0.37 4.21 0.00 -1.26 -2.91 121.76 120.94 2eej s ALA 14 Ca 0.25 -0.75 -0.41 0.00 0.00 0.00 0.00 51.96 51.04 2eej s ALA 14 Cb -0.12 -1.22 -0.16 0.00 0.00 0.00 0.00 23.12 21.62 2eej s ALA 14 CO 0.17 -1.33 1.87 1.17 0.00 0.00 0.00 175.76 177.64 2eej n LYS 15 N 5.15 0.75 0.00 0.00 4.81 -1.23 -4.75 118.16 122.88 2eej n LYS 15 Ca -0.07 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2eej n LYS 15 Cb 0.46 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.55 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 5.15 -0.04 2.95 3.14 0.00 -1.26 -5.02 105.19 110.11 2eej n GLY 16 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 2eej n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eej s GLU 17 N 0.60 1.00 -0.85 1.61 0.41 -1.26 -4.79 118.70 115.41 2eej s GLU 17 Ca 0.00 -0.22 -0.03 0.00 -0.41 0.00 0.00 54.97 54.30 2eej s GLU 17 Cb 0.00 -0.93 0.00 0.00 -1.78 0.00 0.00 34.13 31.43 2eej s GLU 17 CO 0.00 0.01 0.44 -1.71 -0.49 0.00 0.00 175.26 173.51 2eej n ASN 18 N 3.71 -4.24 -0.87 -0.19 2.85 -1.26 -4.74 115.26 110.52 2eej n ASN 18 Ca -0.22 -0.20 0.01 0.00 -0.11 0.00 0.00 54.58 54.05 2eej n ASN 18 Cb 0.52 -3.04 -0.00 0.00 1.24 0.00 0.00 39.78 38.50 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 -1.24 -3.48 2.52 8.20 0.00 -1.26 -4.74 105.19 105.19 2eej n GLY 19 Ca -0.04 -1.06 -0.46 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.19 1.11 -0.26 1.61 4.02 -1.26 -4.71 117.16 115.47 2eej n TYR 20 Ca -0.00 0.73 0.02 0.00 -0.01 0.00 0.00 57.90 58.64 2eej n TYR 20 Cb 0.28 -1.57 0.07 0.00 -0.02 0.00 0.00 39.34 38.10 2eej n TYR 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2eej n GLY 21 N 3.46 -1.28 3.81 2.72 0.00 -1.26 -4.34 105.19 108.30 2eej n GLY 21 Ca 0.26 0.76 -0.31 0.00 0.00 0.00 0.00 46.02 46.73 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 -5.80 3.06 0.08 1.61 -0.71 -1.26 -4.25 117.98 110.71 2eej s PHE 22 Ca -0.10 1.45 0.05 0.00 -1.04 0.00 0.00 56.93 57.29 2eej s PHE 22 Cb 0.17 -2.92 -0.03 0.00 -1.21 0.00 0.00 43.02 39.03 2eej s PHE 22 CO 0.53 -1.22 -0.13 -1.01 -1.34 0.00 0.00 175.22 172.05 2eej s HIS 23 N -2.86 1.18 0.22 3.49 3.76 -0.53 -4.96 115.29 115.58 2eej s HIS 23 Ca 0.60 -0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 54.91 2eej s HIS 23 Cb -0.15 -0.65 -0.07 0.00 1.11 0.00 0.00 32.58 32.83 2eej s HIS 23 CO 0.50 0.05 0.52 -0.51 -0.85 0.00 0.00 174.74 174.44 2eej s LEU 24 N -2.00 4.18 -0.04 0.89 1.02 -1.26 -0.73 118.68 120.74 2eej s LEU 24 Ca 0.01 0.84 0.02 0.00 0.02 0.00 0.00 54.13 55.01 2eej s LEU 24 Cb -0.08 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.55 2eej s LEU 24 CO 0.02 -0.06 -0.08 0.21 0.02 0.00 0.00 176.35 176.46 2eej s ASN 25 N -2.45 1.18 -0.55 2.29 3.84 -1.01 -4.90 114.94 113.34 2eej s ASN 25 Ca 0.46 -0.18 -0.27 0.00 0.21 0.00 0.00 52.86 53.08 2eej s ASN 25 Cb -0.11 -0.46 0.03 0.00 -0.55 0.00 0.00 41.25 40.16 2eej s ASN 25 CO 0.23 0.01 1.09 0.00 -2.79 0.00 0.00 177.10 175.64 2eej s ALA 26 N 0.55 3.09 0.18 1.71 0.00 -1.26 -3.46 121.76 122.56 2eej s ALA 26 Ca -0.09 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2eej s ALA 26 Cb -0.12 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 2eej s ALA 26 CO 0.01 -2.47 0.17 0.42 0.00 0.00 0.00 175.76 173.89 2eej s ILE 27 N 4.48 4.63 -0.16 0.00 -1.09 -1.26 -5.04 121.20 122.76 2eej s ILE 27 Ca 0.39 -1.06 0.05 0.00 -2.23 0.00 0.00 60.65 57.81 2eej s ILE 27 Cb -0.09 -3.39 -0.13 0.00 -1.58 0.00 0.00 42.46 37.27 2eej s ILE 27 CO 0.25 -0.14 -0.08 -2.11 -1.23 0.00 0.00 174.94 171.62 2eej n ARG 28 N -0.52 0.92 -0.33 2.79 1.85 -1.26 -4.56 116.66 115.56 2eej n ARG 28 Ca -0.08 0.06 0.15 0.00 -1.00 0.00 0.00 57.85 56.98 2eej n ARG 28 Cb 0.55 -1.35 0.34 0.00 -1.05 0.00 0.00 32.46 30.95 2eej n ARG 28 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2eej h GLY 29 N 1.83 1.76 -4.11 2.89 0.00 -1.99 -3.42 103.07 100.03 2eej h GLY 29 Ca -0.38 -0.29 -0.31 0.00 0.00 0.00 0.00 47.33 46.35 2eej h GLY 29 CO -0.03 -0.19 -0.74 1.08 0.00 0.00 0.00 176.54 176.67 2eej s LEU 30 N -10.37 2.35 0.86 3.11 1.43 -1.26 -5.07 118.68 109.72 2eej s LEU 30 Ca -0.11 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 2eej s LEU 30 Cb 0.26 -0.27 0.11 0.00 0.03 0.00 0.00 46.19 46.31 2eej s LEU 30 CO 0.79 -0.23 1.09 -2.16 0.23 0.00 0.00 176.35 176.07 2eej s PRO 31 N -2.32 1.58 0.60 1.29 0.04 -1.26 -4.69 135.00 130.24 2eej s PRO 31 Ca -0.00 0.93 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2eej s PRO 31 Cb -0.06 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2eej s PRO 31 CO 0.00 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.41 2eej n GLY 32 N -1.17 -1.99 2.44 0.56 0.00 -1.08 -4.97 105.19 98.99 2eej n GLY 32 Ca 0.08 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 2eej n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eej n SER 33 N -1.22 1.48 -3.72 1.61 7.64 -1.26 -4.46 113.62 113.69 2eej n SER 33 Ca 0.00 -2.01 -0.14 0.00 1.01 0.00 0.00 58.87 57.73 2eej n SER 33 Cb 0.11 -0.22 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 2eej n SER 33 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2eej s PHE 34 N -1.35 -0.25 -0.20 1.43 0.40 -1.22 -3.56 117.98 113.22 2eej s PHE 34 Ca 0.35 0.36 -0.28 0.00 -0.60 0.00 0.00 56.93 56.76 2eej s PHE 34 Cb -0.03 0.15 -0.00 0.00 0.51 0.00 0.00 43.02 43.65 2eej s PHE 34 CO 0.22 -0.44 0.96 0.42 0.70 0.00 0.00 175.22 177.08 2eej s ILE 35 N -1.48 4.76 0.00 0.64 1.01 -0.99 -2.41 121.20 122.74 2eej s ILE 35 Ca -0.12 1.88 -0.03 0.00 0.00 0.00 0.00 60.65 62.37 2eej s ILE 35 Cb -0.04 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 2eej s ILE 35 CO 0.04 -0.09 0.05 -0.75 0.00 0.00 0.00 174.94 174.19 2eej s LYS 36 N 2.76 0.31 -0.89 2.79 2.47 0.10 -3.96 119.74 123.31 2eej s LYS 36 Ca 0.42 -0.35 -0.01 0.00 -1.56 0.00 0.00 55.97 54.47 2eej s LYS 36 Cb -0.16 0.12 -0.01 0.00 -1.46 0.00 0.00 37.83 36.32 2eej s LYS 36 CO 0.09 -0.06 0.75 0.39 0.16 0.00 0.00 175.35 176.68 2eej n GLU 37 N 1.94 -4.28 -3.46 4.03 1.02 -1.26 -1.45 120.64 117.17 2eej n GLU 37 Ca -0.20 0.65 -0.41 0.00 -0.02 0.00 0.00 57.16 57.18 2eej n GLU 37 Cb 0.56 -5.01 -0.10 0.00 -0.02 0.00 0.00 31.44 26.87 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 5.23 0.33 2.62 0.11 -1.26 -3.88 120.40 120.26 2eej s VAL 38 Ca 0.08 -0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.74 2eej s VAL 38 Cb -0.01 -3.78 -0.09 0.00 -1.53 0.00 0.00 36.38 30.96 2eej s VAL 38 CO 0.56 -0.07 1.10 -1.10 -3.33 0.00 0.00 175.10 172.25 2eej s GLN 39 N 1.87 4.43 0.03 1.54 -0.21 -1.26 -4.95 119.66 121.11 2eej s GLN 39 Ca 0.09 1.73 -0.30 0.00 0.02 0.00 0.00 55.36 56.90 2eej s GLN 39 Cb -0.17 -2.94 -0.05 0.00 1.00 0.00 0.00 33.01 30.85 2eej s GLN 39 CO 0.11 0.04 1.20 0.21 -2.12 0.00 0.00 175.29 174.73 2eej s LYS 40 N -1.85 4.41 0.00 2.91 2.36 -1.26 -3.17 119.74 123.14 2eej s LYS 40 Ca 0.50 1.74 0.00 0.00 -2.55 0.00 0.00 55.97 55.66 2eej s LYS 40 Cb -0.29 -3.41 0.00 0.00 -1.05 0.00 0.00 37.83 33.08 2eej s LYS 40 CO 0.37 -0.31 0.00 0.41 1.55 0.00 0.00 175.35 177.37 2eej n GLY 41 N 3.26 2.19 0.00 5.54 0.00 -1.26 -5.05 105.19 109.87 2eej n GLY 41 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.20 -3.24 0.07 -0.02 0.00 -1.19 -4.48 105.19 96.12 2eej n GLY 42 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 0.06 0.51 1.61 0.13 -1.88 -2.07 132.00 130.36 2eej h PRO 43 Ca 0.00 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2eej h PRO 43 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2eej h PRO 43 CO 0.00 0.53 -0.41 0.00 -0.23 0.00 0.00 178.00 177.89 2eej h ALA 44 N 0.53 -0.96 0.45 -0.56 0.00 -1.90 -1.90 119.26 114.91 2eej h ALA 44 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2eej h ALA 44 Cb 0.52 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2eej h ALA 44 CO 0.01 -1.07 -0.50 0.22 0.00 0.00 0.00 179.25 177.90 2eej h ASP 45 N -0.91 -1.39 -0.96 0.00 1.82 -1.76 -1.33 116.42 111.88 2eej h ASP 45 Ca -0.06 0.12 0.29 0.00 -0.39 0.00 0.00 57.03 56.99 2eej h ASP 45 Cb 0.78 0.47 -0.17 0.00 0.68 0.00 0.00 39.33 41.08 2eej h ASP 45 CO -0.01 -0.65 0.16 -0.07 -1.61 0.00 0.00 179.24 177.06 2eej h LEU 46 N -0.97 -0.24 -1.13 2.28 3.38 -1.34 1.57 115.31 118.85 2eej h LEU 46 Ca -0.05 0.26 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 2eej h LEU 46 Cb 0.85 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2eej h LEU 46 CO -0.09 -0.33 -0.30 0.00 0.09 0.00 0.00 178.44 177.82 2eej h ALA 47 N 1.94 1.27 0.00 1.53 0.00 -0.76 -3.47 119.26 119.77 2eej h ALA 47 Ca 0.63 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2eej h ALA 47 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2eej h ALA 47 CO -0.84 0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.32 2eej n GLY 48 N -0.46 0.94 3.83 0.00 0.00 0.53 -4.95 105.19 105.07 2eej n GLY 48 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 4.11 0.55 0.99 1.43 -0.73 -5.00 118.68 120.04 2eej s LEU 49 Ca 0.00 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 2eej s LEU 49 Cb 0.00 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 44.03 2eej s LEU 49 CO 0.00 0.33 0.35 -1.61 0.23 0.00 0.00 176.35 175.65 2eej s GLU 50 N -1.44 2.24 -0.06 1.70 0.41 -1.26 -4.46 118.70 115.82 2eej s GLU 50 Ca 0.20 -2.13 0.06 0.00 -0.41 0.00 0.00 54.97 52.70 2eej s GLU 50 Cb -0.12 -1.99 0.29 0.00 -1.78 0.00 0.00 34.13 30.53 2eej s GLU 50 CO 0.10 -0.63 1.04 -0.25 -0.49 0.00 0.00 175.26 175.03 2eej n ASP 51 N -1.72 2.37 0.00 -0.19 8.00 -1.26 -3.54 116.55 120.20 2eej n ASP 51 Ca -0.05 -2.24 0.00 0.00 0.71 0.00 0.00 54.79 53.21 2eej n ASP 51 Cb 0.65 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2eej n ASP 51 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2eej n GLU 52 N 0.25 1.90 -1.75 -1.24 0.28 -1.25 -4.65 120.64 114.18 2eej n GLU 52 Ca 0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.68 2eej n GLU 52 Cb 0.49 -0.88 -0.03 0.00 1.43 0.00 0.00 31.44 32.46 2eej n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2eej s ASP 53 N -1.76 6.40 0.04 -1.84 1.11 -1.23 -4.74 116.67 114.65 2eej s ASP 53 Ca 0.00 2.84 -0.00 0.00 0.18 0.00 0.00 52.55 55.57 2eej s ASP 53 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 2eej s ASP 53 CO 0.00 -0.96 0.19 0.68 1.18 0.00 0.00 175.17 176.26 2eej s VAL 54 N 1.16 5.30 -0.99 -1.27 -7.23 -1.26 -2.33 120.40 113.77 2eej s VAL 54 Ca 0.74 -0.36 -0.18 0.00 -1.81 0.00 0.00 61.98 60.37 2eej s VAL 54 Cb -0.49 -3.55 0.14 0.00 0.56 0.00 0.00 36.38 33.04 2eej s VAL 54 CO 0.32 0.20 1.20 -0.63 -0.31 0.00 0.00 175.10 175.88 2eej s ILE 55 N -1.44 4.77 0.00 -0.62 1.01 -1.23 -3.95 121.20 119.74 2eej s ILE 55 Ca 0.32 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 59.17 2eej s ILE 55 Cb -0.13 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.53 2eej s ILE 55 CO 0.24 -1.54 0.57 -0.38 0.00 0.00 0.00 174.94 173.83 2eej n ILE 56 N 5.34 0.00 -4.00 2.92 5.41 -0.56 -4.53 119.36 123.94 2eej n ILE 56 Ca 0.27 1.07 -0.22 0.00 1.00 0.00 0.00 62.75 64.87 2eej n ILE 56 Cb 0.48 -2.07 -0.05 0.00 -0.71 0.00 0.00 39.64 37.29 2eej n ILE 56 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2eej s GLU 57 N -2.14 2.54 -0.18 0.38 2.02 -1.22 -2.91 118.70 117.19 2eej s GLU 57 Ca 0.00 -1.41 -0.04 0.00 0.02 0.00 0.00 54.97 53.54 2eej s GLU 57 Cb 0.00 -2.32 0.08 0.00 0.10 0.00 0.00 34.13 31.99 2eej s GLU 57 CO 0.00 0.14 0.19 0.54 0.02 0.00 0.00 175.26 176.15 2eej s VAL 58 N -2.35 -0.28 -1.62 2.63 0.11 -0.73 -1.92 120.40 116.23 2eej s VAL 58 Ca 0.38 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 2eej s VAL 58 Cb -0.04 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2eej s VAL 58 CO 0.24 -0.16 0.00 0.59 -3.33 0.00 0.00 175.10 172.44 2eej n ASN 59 N 5.31 -5.26 -1.34 3.54 3.02 0.06 -3.47 115.26 117.13 2eej n ASN 59 Ca -0.06 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2eej n ASN 59 Cb 0.49 -4.33 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 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 -0.97 0.74 3.64 7.41 0.00 -1.26 -5.04 105.19 109.71 2eej n GLY 60 Ca -0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.89 0.00 -0.61 1.61 0.11 -1.23 -5.11 120.40 112.28 2eej s VAL 61 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 2eej s VAL 61 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2eej s VAL 61 CO 0.00 0.00 1.52 0.21 -3.33 0.00 0.00 175.10 173.50 2eej s ASN 62 N 1.30 5.90 -0.20 3.54 3.84 -1.26 -1.77 114.94 126.29 2eej s ASN 62 Ca -0.09 0.17 0.16 0.00 0.21 0.00 0.00 52.86 53.31 2eej s ASN 62 Cb -0.04 -2.54 0.59 0.00 -0.55 0.00 0.00 41.25 38.71 2eej s ASN 62 CO -0.14 -1.92 1.50 1.33 -2.79 0.00 0.00 177.10 175.08 2eej n VAL 63 N 6.86 2.41 -0.01 -5.21 0.24 -1.15 -4.72 118.33 116.76 2eej n VAL 63 Ca 0.13 -1.82 -0.13 0.00 -2.04 0.00 0.00 64.34 60.47 2eej n VAL 63 Cb 0.50 -0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 32.52 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 2.19 -1.52 -0.47 1.34 3.38 -1.84 -2.20 115.31 116.20 2eej h LEU 64 Ca 0.02 0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2eej h LEU 64 Cb 1.58 0.61 -0.02 0.00 0.09 0.00 0.00 40.66 42.93 2eej h LEU 64 CO 0.30 -0.45 -0.04 -0.78 0.09 0.00 0.00 178.44 177.56 2eej h ASP 65 N -0.52 0.85 -1.15 -0.43 3.58 -1.94 -2.85 116.42 113.96 2eej h ASP 65 Ca 0.06 -0.33 -0.53 0.00 0.42 0.00 0.00 57.03 56.66 2eej h ASP 65 Cb 0.65 -0.23 0.11 0.00 1.72 0.00 0.00 39.33 41.59 2eej h ASP 65 CO -0.43 0.97 -0.64 -0.62 -2.88 0.00 0.00 179.24 175.65 2eej n GLU 66 N -4.31 0.00 -1.25 0.28 -0.58 -0.83 -4.83 120.64 109.12 2eej n GLU 66 Ca 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 2eej n GLU 66 Cb 0.34 -0.82 0.09 0.00 -0.57 0.00 0.00 31.44 30.48 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 -0.82 2.23 0.54 3.49 0.04 -1.26 -4.72 135.00 134.49 2eej s PRO 67 Ca 0.50 1.17 0.21 0.00 0.04 0.00 0.00 61.00 62.92 2eej s PRO 67 Cb -0.63 -1.89 1.40 0.00 0.04 0.00 0.00 34.50 33.42 2eej s PRO 67 CO 0.49 -1.66 2.11 -0.92 0.04 0.00 0.00 177.00 177.06 2eej h TYR 68 N -1.14 0.00 0.00 0.56 5.03 -1.94 0.45 116.97 119.93 2eej h TYR 68 Ca -0.44 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 60.76 2eej h TYR 68 Cb 1.23 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.49 2eej h TYR 68 CO 0.58 0.00 -0.56 0.93 -1.32 0.00 0.00 178.16 177.78 2eej h GLU 69 N 0.00 0.00 0.04 1.82 5.08 -1.99 -2.24 114.58 117.29 2eej h GLU 69 Ca 0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2eej h GLU 69 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2eej h GLU 69 CO -0.00 0.56 -0.31 0.87 -1.00 0.00 0.00 179.01 179.14 2eej h LYS 70 N 0.00 0.09 -0.93 2.33 1.79 -1.31 -2.39 116.57 116.15 2eej h LYS 70 Ca -0.01 -0.15 0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2eej h LYS 70 Cb 1.08 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.74 2eej h LYS 70 CO 0.07 1.07 0.62 -0.39 -1.08 0.00 0.00 179.45 179.74 2eej h VAL 71 N -0.81 1.23 0.01 0.50 -1.51 -1.29 -1.00 116.25 113.39 2eej h VAL 71 Ca -0.06 -0.43 -0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2eej h VAL 71 Cb 1.21 -0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 2eej h VAL 71 CO 0.03 0.23 -0.01 1.62 -1.23 0.00 0.00 177.57 178.22 2eej h VAL 72 N 1.26 1.42 -0.88 7.19 3.04 -1.52 -2.93 116.25 123.82 2eej h VAL 72 Ca 0.34 -1.33 0.12 0.00 -1.01 0.00 0.00 66.70 64.83 2eej h VAL 72 Cb -0.13 2.31 -0.07 0.00 -2.01 0.00 0.00 31.29 31.39 2eej h VAL 72 CO -0.08 0.34 0.57 -0.78 -1.01 0.00 0.00 177.57 176.61 2eej h ASP 73 N -0.59 0.71 -0.68 3.17 3.58 -1.26 -0.79 116.42 120.56 2eej h ASP 73 Ca -0.00 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 2eej h ASP 73 Cb 0.57 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 2eej h ASP 73 CO 0.00 0.39 0.21 0.03 -2.88 0.00 0.00 179.24 177.00 2eej h ARG 74 N 0.77 1.06 0.42 0.28 3.08 -1.18 0.43 114.38 119.23 2eej h ARG 74 Ca 0.43 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2eej h ARG 74 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2eej h ARG 74 CO -0.19 0.92 -0.20 0.82 -1.07 0.00 0.00 179.97 180.25 2eej h ILE 75 N 0.99 0.53 -0.40 2.04 2.04 -0.99 0.53 117.51 122.25 2eej h ILE 75 Ca 0.22 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2eej h ILE 75 Cb 0.30 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2eej h ILE 75 CO -0.01 0.07 0.15 1.56 0.00 0.00 0.00 178.15 179.92 2eej h GLN 76 N -0.84 0.61 -0.13 2.37 1.08 -1.30 -2.62 115.11 114.29 2eej h GLN 76 Ca -0.06 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 2eej h GLN 76 Cb 0.55 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2eej h GLN 76 CO 0.09 0.59 -0.07 1.03 -0.95 0.00 0.00 178.83 179.52 2eej h SER 77 N 0.50 0.17 -0.71 1.46 0.87 -0.18 -3.19 113.55 112.49 2eej h SER 77 Ca 0.13 -0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.73 2eej h SER 77 Cb 0.22 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.05 2eej h SER 77 CO -0.01 0.28 -0.41 -0.24 -0.53 0.00 0.00 176.83 175.92 2eej n SER 78 N -4.35 -0.73 0.00 6.23 2.88 0.18 -4.80 113.62 113.03 2eej n SER 78 Ca -0.01 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 2eej n SER 78 Cb 0.21 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2eej n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eej n GLY 79 N -1.18 0.02 2.48 0.46 0.00 -1.20 -4.81 105.19 100.94 2eej n GLY 79 Ca 0.02 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 2eej n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eej n LYS 80 N 0.00 -1.48 -3.65 1.61 5.02 -1.26 -4.92 118.16 113.48 2eej n LYS 80 Ca 0.00 1.08 -0.01 0.00 -2.02 0.00 0.00 58.31 57.36 2eej n LYS 80 Cb 0.00 -5.55 -0.07 0.00 -0.02 0.00 0.00 35.03 29.39 2eej n LYS 80 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2eej s ASN 81 N -2.45 -0.21 -0.13 4.39 3.84 -1.26 -3.51 114.94 115.62 2eej s ASN 81 Ca 0.00 0.36 -0.23 0.00 0.21 0.00 0.00 52.86 53.20 2eej s ASN 81 Cb 0.00 0.82 0.06 0.00 -0.55 0.00 0.00 41.25 41.58 2eej s ASN 81 CO 0.00 -0.06 0.58 0.54 -2.79 0.00 0.00 177.10 175.37 2eej s VAL 82 N 0.77 0.01 -0.32 -5.21 0.11 -1.15 -4.66 120.40 109.96 2eej s VAL 82 Ca -0.03 -0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 58.86 2eej s VAL 82 Cb -0.04 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 2eej s VAL 82 CO -0.12 -0.04 0.11 -0.89 -3.33 0.00 0.00 175.10 170.83 2eej s THR 83 N -0.47 4.06 -0.01 5.04 2.01 -1.26 -1.13 115.64 123.87 2eej s THR 83 Ca -0.06 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 2eej s THR 83 Cb -0.03 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2eej s THR 83 CO 0.05 -0.02 0.16 -0.76 -0.69 0.00 0.00 174.62 173.36 2eej s LEU 84 N 1.50 4.30 -0.36 4.42 1.43 -1.12 -0.76 118.68 128.08 2eej s LEU 84 Ca 0.02 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 2eej s LEU 84 Cb -0.18 -2.53 0.07 0.00 0.03 0.00 0.00 46.19 43.58 2eej s LEU 84 CO 0.03 0.27 0.13 -0.22 0.23 0.00 0.00 176.35 176.79 2eej s LEU 85 N -1.86 4.65 -0.01 1.79 0.20 -0.81 -3.44 118.68 119.20 2eej s LEU 85 Ca 0.26 -1.57 -0.01 0.00 0.69 0.00 0.00 54.13 53.50 2eej s LEU 85 Cb -0.12 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 2eej s LEU 85 CO 0.17 -0.42 0.11 0.68 -0.29 0.00 0.00 176.35 176.61 2eej s VAL 86 N 1.26 4.97 0.05 1.68 -7.23 -1.04 -1.50 120.40 118.59 2eej s VAL 86 Ca 0.02 -0.32 -0.00 0.00 -1.81 0.00 0.00 61.98 59.87 2eej s VAL 86 Cb -0.21 -3.29 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 2eej s VAL 86 CO -0.01 0.35 -0.04 0.00 -0.31 0.00 0.00 175.10 175.09 2eej n GLY 88 N 0.42 -0.09 3.76 0.00 0.00 -1.26 -4.55 105.19 103.47 2eej n GLY 88 Ca -0.16 0.94 -0.41 0.00 0.00 0.00 0.00 46.02 46.39 2eej n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eej n LYS 89 N 6.06 2.58 -4.02 1.61 4.81 -1.26 -5.00 118.16 122.93 2eej n LYS 89 Ca 0.45 0.90 -0.34 0.00 -0.87 0.00 0.00 58.31 58.45 2eej n LYS 89 Cb -0.04 -2.61 -0.15 0.00 0.02 0.00 0.00 35.03 32.26 2eej n LYS 89 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2eej s LYS 90 N -2.06 2.92 0.11 1.64 2.20 -1.26 -5.02 119.74 118.27 2eej s LYS 90 Ca 0.54 -0.91 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 2eej s LYS 90 Cb -0.49 -2.82 -0.09 0.00 -1.51 0.00 0.00 37.83 32.92 2eej s LYS 90 CO 0.64 -0.31 1.62 1.03 -0.36 0.00 0.00 175.35 177.96 2eej h SER 91 N 7.98 -0.93 -4.84 1.43 0.87 -1.94 -3.49 113.55 112.62 2eej h SER 91 Ca -0.38 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2eej h SER 91 Cb 1.12 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2eej h SER 91 CO 0.59 -0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.08 2eej n GLY 92 N -1.42 0.87 0.00 5.77 0.00 -1.26 -4.74 105.19 104.41 2eej n GLY 92 Ca -0.07 -2.27 0.08 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.10 0.37 -4.02 1.61 -0.04 -1.26 -4.71 135.00 125.86 2eej n PRO 93 Ca 0.00 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.19 2eej n PRO 93 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2eej n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2eej s SER 94 N -2.24 5.96 0.94 3.54 0.01 -1.26 -5.08 113.70 115.56 2eej s SER 94 Ca 0.20 0.22 -0.13 0.00 1.31 0.00 0.00 55.95 57.54 2eej s SER 94 Cb 0.10 -1.78 0.02 0.00 0.21 0.00 0.00 66.02 64.58 2eej s SER 94 CO 0.20 0.26 0.33 -1.20 0.41 0.00 0.00 173.24 173.24 2eej n SER 95 N 1.03 -2.29 0.00 2.44 7.64 -1.26 -5.00 113.62 116.18 2eej n SER 95 Ca -0.12 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2eej n SER 95 Cb 0.53 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2eej n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64