#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 3.23 0.01 1.61 0.01 -1.26 -5.13 113.70 112.17 2eej s SER 2 Ca 0.00 -0.43 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 2eej s SER 2 Cb 0.00 -0.42 0.03 0.00 0.21 0.00 0.00 66.02 65.84 2eej s SER 2 CO 0.00 0.32 0.40 -0.44 0.41 0.00 0.00 173.24 173.93 2eej s SER 3 N -0.70 -0.29 0.00 2.44 0.01 -1.26 -5.08 113.70 108.83 2eej s SER 3 Ca 0.10 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2eej s SER 3 Cb -0.10 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2eej s SER 3 CO -0.00 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2eej n GLY 4 N 0.88 3.46 3.28 3.44 0.00 -1.26 -4.98 105.19 110.01 2eej n GLY 4 Ca -0.20 -0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 2eej n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eej s SER 5 N 0.00 6.37 -0.30 1.61 1.04 -1.26 -2.69 113.70 118.47 2eej s SER 5 Ca 0.00 -2.55 -0.02 0.00 0.48 0.00 0.00 55.95 53.86 2eej s SER 5 Cb 0.00 -2.14 0.09 0.00 0.10 0.00 0.00 66.02 64.07 2eej s SER 5 CO 0.00 -0.59 2.45 -1.20 0.98 0.00 0.00 173.24 174.89 2eej n SER 6 N 4.12 6.23 -0.70 7.02 7.64 -1.23 -4.87 113.62 131.83 2eej n SER 6 Ca 0.08 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.97 2eej n SER 6 Cb 0.44 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 0.87 -3.58 1.64 0.23 0.00 -1.26 -4.87 105.19 98.22 2eej n GLY 7 Ca 0.35 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.35 -2.03 -3.64 1.61 -0.04 -1.26 -4.27 135.00 124.02 2eej n PRO 8 Ca 0.00 -0.82 -0.08 0.00 -0.04 0.00 0.00 63.50 62.57 2eej n PRO 8 Cb 0.08 -0.77 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 2eej n PRO 8 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2eej s LYS 9 N -4.16 0.66 -0.28 0.54 -2.85 -0.74 -4.95 119.74 107.96 2eej s LYS 9 Ca 0.33 1.04 -0.26 0.00 -1.00 0.00 0.00 55.97 56.08 2eej s LYS 9 Cb -0.03 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 2eej s LYS 9 CO 0.25 -0.12 0.92 -1.17 0.10 0.00 0.00 175.35 175.33 2eej s LEU 10 N 1.25 4.05 0.06 2.77 1.98 -1.26 -3.61 118.68 123.91 2eej s LEU 10 Ca -0.07 1.00 0.04 0.00 -2.89 0.00 0.00 54.13 52.21 2eej s LEU 10 Cb -0.05 -3.31 -0.03 0.00 0.66 0.00 0.00 46.19 43.47 2eej s LEU 10 CO -0.14 -0.66 -0.12 0.00 -1.89 0.00 0.00 176.35 173.55 2eej s ARG 12 N -1.71 2.93 0.17 0.00 3.00 -1.26 -3.34 118.95 118.72 2eej s ARG 12 Ca -0.05 -0.74 0.03 0.00 0.00 0.00 0.00 55.73 54.97 2eej s ARG 12 Cb -0.10 -2.45 -0.03 0.00 0.00 0.00 0.00 34.95 32.37 2eej s ARG 12 CO 0.01 0.38 0.30 -0.51 0.00 0.00 0.00 175.30 175.49 2eej s LEU 13 N -0.11 4.33 -0.23 2.53 1.43 -1.19 -4.79 118.68 120.65 2eej s LEU 13 Ca -0.03 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2eej s LEU 13 Cb -0.14 -2.91 0.08 0.00 0.03 0.00 0.00 46.19 43.24 2eej s LEU 13 CO 0.04 0.03 0.08 0.00 0.23 0.00 0.00 176.35 176.73 2eej s ALA 14 N -1.78 0.81 -0.19 4.21 0.00 -1.25 -3.54 121.76 120.03 2eej s ALA 14 Ca 0.35 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 2eej s ALA 14 Cb -0.11 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.76 2eej s ALA 14 CO 0.29 -1.37 1.09 0.21 0.00 0.00 0.00 175.76 175.97 2eej s LYS 15 N 1.97 4.29 -0.12 0.00 2.20 0.69 -4.61 119.74 124.16 2eej s LYS 15 Ca 0.04 1.44 -0.06 0.00 -0.36 0.00 0.00 55.97 57.03 2eej s LYS 15 Cb -0.17 -3.64 -0.24 0.00 -1.51 0.00 0.00 37.83 32.27 2eej s LYS 15 CO -0.18 -0.58 3.44 0.41 -0.36 0.00 0.00 175.35 178.07 2eej n GLY 16 N 3.34 3.00 2.04 5.54 0.00 -1.26 -4.65 105.19 113.19 2eej n GLY 16 Ca 0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 2eej n GLY 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2eej n GLU 17 N 2.61 -2.16 0.00 1.61 0.28 -1.26 -4.55 120.64 117.17 2eej n GLU 17 Ca 0.44 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 2eej n GLU 17 Cb 0.83 -4.54 0.00 0.00 1.43 0.00 0.00 31.44 29.15 2eej n GLU 17 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2eej n ASN 18 N -0.79 2.01 0.00 -1.84 3.02 -1.26 -5.13 115.26 111.28 2eej n ASN 18 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2eej n ASN 18 Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 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 2.62 3.32 2.50 7.41 0.00 -1.26 -5.07 105.19 114.70 2eej n GLY 19 Ca 0.00 -0.30 -0.46 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 1.05 -0.33 1.61 4.01 -1.26 -4.72 117.16 117.52 2eej n TYR 20 Ca 0.00 0.69 0.24 0.00 -0.16 0.00 0.00 57.90 58.67 2eej n TYR 20 Cb 0.00 -1.61 0.47 0.00 -0.31 0.00 0.00 39.34 37.89 2eej n TYR 20 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2eej h GLY 21 N 4.94 1.98 -1.50 2.72 0.00 -1.93 -3.40 103.07 105.89 2eej h GLY 21 Ca -0.20 -0.16 -0.49 0.00 0.00 0.00 0.00 47.33 46.48 2eej h GLY 21 CO 0.74 -0.57 0.27 -0.11 0.00 0.00 0.00 176.54 176.87 2eej s PHE 22 N -5.68 3.43 0.30 5.60 -0.71 -1.26 -4.07 117.98 115.59 2eej s PHE 22 Ca -0.10 0.93 0.05 0.00 -1.04 0.00 0.00 56.93 56.77 2eej s PHE 22 Cb 0.31 -2.71 -0.03 0.00 -1.21 0.00 0.00 43.02 39.38 2eej s PHE 22 CO 0.78 -0.75 0.25 -1.01 -1.34 0.00 0.00 175.22 173.16 2eej s HIS 23 N -3.06 1.61 0.22 3.49 3.76 -0.47 -4.95 115.29 115.88 2eej s HIS 23 Ca 0.54 -1.59 0.10 0.00 -0.15 0.00 0.00 55.06 53.95 2eej s HIS 23 Cb -0.11 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.88 2eej s HIS 23 CO 0.49 -0.83 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.91 2eej s LEU 24 N -3.32 2.84 -0.23 0.89 1.02 -1.26 -0.64 118.68 117.98 2eej s LEU 24 Ca 0.40 -0.73 -0.12 0.00 0.02 0.00 0.00 54.13 53.70 2eej s LEU 24 Cb 0.03 -1.47 0.07 0.00 0.02 0.00 0.00 46.19 44.84 2eej s LEU 24 CO 0.24 0.08 0.56 0.21 0.02 0.00 0.00 176.35 177.46 2eej s ASN 25 N -3.08 -0.75 -0.05 2.29 3.84 -0.98 -4.86 114.94 111.36 2eej s ASN 25 Ca 0.26 1.24 -0.30 0.00 0.21 0.00 0.00 52.86 54.28 2eej s ASN 25 Cb -0.07 1.19 -0.04 0.00 -0.55 0.00 0.00 41.25 41.78 2eej s ASN 25 CO 0.15 -0.22 1.25 0.00 -2.79 0.00 0.00 177.10 175.49 2eej s ALA 26 N 1.66 3.52 -0.57 1.71 0.00 -1.26 -3.67 121.76 123.15 2eej s ALA 26 Ca -0.09 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.54 2eej s ALA 26 Cb -0.07 -3.54 0.15 0.00 0.00 0.00 0.00 23.12 19.66 2eej s ALA 26 CO -0.17 -0.82 0.36 0.42 0.00 0.00 0.00 175.76 175.55 2eej s ILE 27 N 2.32 3.28 -0.45 0.00 1.01 -1.26 -5.05 121.20 121.04 2eej s ILE 27 Ca 0.58 -3.01 -0.42 0.00 0.00 0.00 0.00 60.65 57.81 2eej s ILE 27 Cb -0.26 -3.19 -0.18 0.00 0.01 0.00 0.00 42.46 38.84 2eej s ILE 27 CO 0.23 -0.83 1.64 0.54 0.00 0.00 0.00 174.94 176.52 2eej n ARG 28 N 3.45 0.00 0.00 2.79 1.74 -1.26 -3.10 116.66 120.28 2eej n ARG 28 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2eej n ARG 28 Cb 0.36 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 4.88 2.12 3.66 -0.13 0.00 -1.26 -5.11 105.19 109.34 2eej n GLY 29 Ca 0.37 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 3.39 1.04 0.99 1.43 -1.18 -5.12 118.68 119.23 2eej s LEU 30 Ca 0.00 -0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 2eej s LEU 30 Cb 0.00 -2.03 0.21 0.00 0.03 0.00 0.00 46.19 44.40 2eej s LEU 30 CO 0.00 0.23 1.10 -2.16 0.23 0.00 0.00 176.35 175.75 2eej s PRO 31 N -1.87 0.09 0.30 1.29 0.04 -1.26 -4.76 135.00 128.83 2eej s PRO 31 Ca 0.22 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2eej s PRO 31 Cb -0.11 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2eej s PRO 31 CO 0.13 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 174.64 2eej n GLY 32 N -1.05 -2.71 3.94 0.56 0.00 -1.04 -4.94 105.19 99.95 2eej n GLY 32 Ca 0.06 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 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 -5.98 6.00 0.15 1.61 1.04 -1.26 -4.81 113.70 110.45 2eej s SER 33 Ca 0.00 0.52 0.08 0.00 0.48 0.00 0.00 55.95 57.03 2eej s SER 33 Cb 0.00 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 2eej s SER 33 CO 0.00 -0.63 -0.17 -0.36 0.98 0.00 0.00 173.24 173.06 2eej s PHE 34 N -2.60 1.68 -0.07 5.02 0.40 -1.24 -2.07 117.98 119.10 2eej s PHE 34 Ca 0.47 -0.50 -0.21 0.00 -0.60 0.00 0.00 56.93 56.08 2eej s PHE 34 Cb -0.10 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.54 2eej s PHE 34 CO 0.40 0.27 0.61 0.42 0.70 0.00 0.00 175.22 177.62 2eej s ILE 35 N -2.13 5.06 0.01 0.64 1.01 0.47 -2.31 121.20 123.96 2eej s ILE 35 Ca 0.14 1.25 -0.13 0.00 0.00 0.00 0.00 60.65 61.90 2eej s ILE 35 Cb -0.05 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.49 2eej s ILE 35 CO 0.05 0.31 0.29 -0.75 0.00 0.00 0.00 174.94 174.84 2eej s LYS 36 N 0.52 0.71 -0.87 2.79 2.47 0.19 -3.93 119.74 121.61 2eej s LYS 36 Ca 0.32 -0.35 -0.02 0.00 -1.56 0.00 0.00 55.97 54.37 2eej s LYS 36 Cb -0.17 0.31 0.00 0.00 -1.46 0.00 0.00 37.83 36.51 2eej s LYS 36 CO 0.15 -0.21 0.74 0.39 0.16 0.00 0.00 175.35 176.59 2eej n GLU 37 N 1.00 -4.93 -3.46 4.03 1.02 -1.26 -1.37 120.64 115.67 2eej n GLU 37 Ca -0.20 0.59 -0.38 0.00 -0.02 0.00 0.00 57.16 57.15 2eej n GLU 37 Cb 0.57 -4.87 -0.09 0.00 -0.02 0.00 0.00 31.44 27.04 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 -3.24 5.23 -0.01 2.62 0.11 -1.26 -4.09 120.40 119.75 2eej s VAL 38 Ca 0.12 0.52 -0.29 0.00 -2.93 0.00 0.00 61.98 59.40 2eej s VAL 38 Cb -0.05 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.11 2eej s VAL 38 CO 0.51 0.24 0.92 -1.58 -3.33 0.00 0.00 175.10 171.86 2eej s GLN 39 N 1.55 4.53 0.02 1.54 -0.44 -1.26 -4.95 119.66 120.66 2eej s GLN 39 Ca 0.14 1.30 -0.30 0.00 -2.50 0.00 0.00 55.36 54.01 2eej s GLN 39 Cb -0.15 -3.46 -0.07 0.00 -1.64 0.00 0.00 33.01 27.69 2eej s GLN 39 CO 0.08 -0.02 1.60 0.21 0.50 0.00 0.00 175.29 177.66 2eej s LYS 40 N 0.96 4.21 0.00 1.67 2.47 -1.26 -2.32 119.74 125.48 2eej s LYS 40 Ca 0.49 2.22 0.00 0.00 -1.56 0.00 0.00 55.97 57.11 2eej s LYS 40 Cb -0.20 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.47 2eej s LYS 40 CO 0.26 -0.73 0.00 0.41 0.16 0.00 0.00 175.35 175.45 2eej n GLY 41 N 3.96 2.81 0.00 5.54 0.00 -1.26 -5.06 105.19 111.17 2eej n GLY 41 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.16 -2.21 0.07 -0.02 0.00 -0.98 -4.59 105.19 96.31 2eej n GLY 42 Ca 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 0.39 1.61 0.13 -1.86 -2.17 132.00 130.04 2eej h PRO 43 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2eej h PRO 43 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2eej h PRO 43 CO 0.00 0.41 -0.29 0.00 -0.23 0.00 0.00 178.00 177.89 2eej h ALA 44 N 0.38 -0.68 0.25 -0.56 0.00 -1.90 -1.67 119.26 115.08 2eej h ALA 44 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2eej h ALA 44 Cb 0.49 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2eej h ALA 44 CO 0.01 -0.91 -0.42 0.22 0.00 0.00 0.00 179.25 178.16 2eej h ASP 45 N -0.68 -1.19 -0.88 0.00 1.82 -1.77 -1.09 116.42 112.63 2eej h ASP 45 Ca -0.03 0.12 0.23 0.00 -0.39 0.00 0.00 57.03 56.96 2eej h ASP 45 Cb 0.59 0.43 -0.14 0.00 0.68 0.00 0.00 39.33 40.88 2eej h ASP 45 CO 0.00 -0.52 0.29 -0.07 -1.61 0.00 0.00 179.24 177.32 2eej h LEU 46 N -0.74 0.10 -1.05 2.28 3.38 -1.33 0.56 115.31 118.51 2eej h LEU 46 Ca -0.00 0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 2eej h LEU 46 Cb 0.71 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2eej h LEU 46 CO -0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 178.44 178.25 2eej h ALA 47 N 1.76 1.22 0.00 1.53 0.00 -0.58 -3.47 119.26 119.72 2eej h ALA 47 Ca 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2eej h ALA 47 Cb 1.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2eej h ALA 47 CO -0.62 0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.56 2eej n GLY 48 N -0.74 0.99 3.72 0.00 0.00 0.19 -4.95 105.19 104.41 2eej n GLY 48 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 3.51 0.00 0.99 1.43 -0.75 -5.00 118.68 118.87 2eej s LEU 49 Ca 0.00 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2eej s LEU 49 Cb 0.00 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 2eej s LEU 49 CO 0.00 0.05 0.10 -0.62 0.23 0.00 0.00 176.35 176.11 2eej n GLU 50 N -0.44 0.60 -0.11 1.70 -0.58 -1.26 -4.41 120.64 116.14 2eej n GLU 50 Ca -0.09 -1.79 0.03 0.00 -0.42 0.00 0.00 57.16 54.89 2eej n GLU 50 Cb 0.56 1.11 0.09 0.00 -0.57 0.00 0.00 31.44 32.63 2eej n GLU 50 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2eej n ASP 51 N -1.93 1.13 -0.00 1.62 5.68 -1.26 -3.34 116.55 118.45 2eej n ASP 51 Ca -0.01 -2.01 0.01 0.00 -0.50 0.00 0.00 54.79 52.28 2eej n ASP 51 Cb 0.32 -0.15 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2eej n GLU 52 N 0.10 2.69 -2.09 0.11 -0.58 -1.25 -4.57 120.64 115.04 2eej n GLU 52 Ca 0.07 -0.01 -0.37 0.00 -0.42 0.00 0.00 57.16 56.42 2eej n GLU 52 Cb 0.18 -0.86 0.01 0.00 -0.57 0.00 0.00 31.44 30.20 2eej n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2eej s ASP 53 N -1.81 5.78 -0.03 1.62 1.11 -1.21 -4.79 116.67 117.34 2eej s ASP 53 Ca -0.00 2.44 0.04 0.00 0.18 0.00 0.00 52.55 55.21 2eej s ASP 53 Cb 0.01 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.39 2eej s ASP 53 CO 0.09 -1.19 -0.16 0.68 1.18 0.00 0.00 175.17 175.76 2eej s VAL 54 N -1.49 1.30 -0.65 -1.27 -7.23 -1.26 -0.39 120.40 109.40 2eej s VAL 54 Ca 0.68 -0.67 -0.27 0.00 -1.81 0.00 0.00 61.98 59.90 2eej s VAL 54 Cb -0.32 -1.10 0.02 0.00 0.56 0.00 0.00 36.38 35.54 2eej s VAL 54 CO 0.38 0.37 1.37 -0.63 -0.31 0.00 0.00 175.10 176.28 2eej s ILE 55 N -0.15 3.74 -0.04 -0.62 1.09 -0.88 -3.95 121.20 120.40 2eej s ILE 55 Ca 0.01 0.53 -0.21 0.00 -1.10 0.00 0.00 60.65 59.88 2eej s ILE 55 Cb -0.09 -4.65 -0.31 0.00 -1.06 0.00 0.00 42.46 36.36 2eej s ILE 55 CO 0.01 -1.49 0.93 0.40 -0.10 0.00 0.00 174.94 174.68 2eej h ILE 56 N 6.24 1.49 -4.19 2.92 2.04 -0.72 -3.37 117.51 121.92 2eej h ILE 56 Ca -0.27 -2.49 -0.29 0.00 1.00 0.00 0.00 64.86 62.81 2eej h ILE 56 Cb 1.07 3.12 -0.15 0.00 -0.74 0.00 0.00 36.82 40.13 2eej h ILE 56 CO 1.23 0.71 -0.62 -1.83 0.00 0.00 0.00 178.15 177.64 2eej s GLU 57 N -2.54 1.29 -0.22 2.37 4.04 -1.25 -1.14 118.70 121.26 2eej s GLU 57 Ca -0.13 -1.69 -0.09 0.00 0.04 0.00 0.00 54.97 53.10 2eej s GLU 57 Cb 0.01 0.01 0.09 0.00 0.02 0.00 0.00 34.13 34.26 2eej s GLU 57 CO 0.84 -0.34 0.48 0.54 -1.84 0.00 0.00 175.26 174.94 2eej s VAL 58 N -3.96 -0.44 -1.73 1.83 0.11 -0.94 -2.82 120.40 112.45 2eej s VAL 58 Ca 0.38 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 2eej s VAL 58 Cb 0.07 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2eej s VAL 58 CO 0.12 0.04 0.00 0.59 -3.33 0.00 0.00 175.10 172.53 2eej n ASN 59 N 4.95 -5.21 -1.43 3.54 3.02 -0.74 -3.40 115.26 115.99 2eej n ASN 59 Ca -0.15 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2eej n ASN 59 Cb 0.52 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.40 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 -0.89 0.56 3.55 7.41 0.00 -1.26 -5.08 105.19 109.49 2eej n GLY 60 Ca -0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.96 -0.27 -0.85 1.61 0.11 -1.22 -5.09 120.40 111.74 2eej s VAL 61 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 2eej s VAL 61 Cb 0.00 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 2eej s VAL 61 CO 0.00 0.00 2.13 0.21 -3.33 0.00 0.00 175.10 174.11 2eej s ASN 62 N 1.91 4.65 -0.46 3.54 3.84 -1.26 -2.20 114.94 124.95 2eej s ASN 62 Ca -0.06 -0.35 -0.01 0.00 0.21 0.00 0.00 52.86 52.65 2eej s ASN 62 Cb -0.05 -2.55 0.34 0.00 -0.55 0.00 0.00 41.25 38.44 2eej s ASN 62 CO -0.17 -3.18 1.98 1.33 -2.79 0.00 0.00 177.10 174.28 2eej n VAL 63 N 8.22 3.10 0.02 -5.21 0.24 -0.29 -4.52 118.33 119.89 2eej n VAL 63 Ca 0.42 -2.14 -0.12 0.00 -2.04 0.00 0.00 64.34 60.46 2eej n VAL 63 Cb 0.46 -1.17 -0.09 0.00 -1.47 0.00 0.00 33.84 31.56 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 2.12 -0.09 -0.46 1.34 3.38 -1.80 -3.30 115.31 116.49 2eej h LEU 64 Ca 0.44 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2eej h LEU 64 Cb 1.06 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2eej h LEU 64 CO 1.11 0.46 -0.02 0.44 0.09 0.00 0.00 178.44 180.51 2eej h ASP 65 N -0.68 0.82 -1.45 -0.43 5.19 -1.91 -2.75 116.42 115.21 2eej h ASP 65 Ca -0.01 -0.32 -0.64 0.00 -0.62 0.00 0.00 57.03 55.44 2eej h ASP 65 Cb 0.55 -0.22 0.13 0.00 0.18 0.00 0.00 39.33 39.97 2eej h ASP 65 CO 0.02 0.94 -0.69 -0.62 -3.12 0.00 0.00 179.24 175.78 2eej n GLU 66 N -4.34 0.08 -1.17 3.56 -0.58 -1.24 -4.83 120.64 112.13 2eej n GLU 66 Ca 0.00 0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.49 2eej n GLU 66 Cb 0.32 -1.06 0.17 0.00 -0.57 0.00 0.00 31.44 30.31 2eej n GLU 66 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2eej s PRO 67 N -1.06 0.46 0.44 3.49 0.04 -1.26 -4.59 135.00 132.51 2eej s PRO 67 Ca 0.62 0.53 0.15 0.00 0.04 0.00 0.00 61.00 62.34 2eej s PRO 67 Cb -0.77 -1.74 0.97 0.00 0.04 0.00 0.00 34.50 33.00 2eej s PRO 67 CO 0.59 -2.72 1.96 -0.92 0.04 0.00 0.00 177.00 175.95 2eej h TYR 68 N -1.88 0.00 0.00 0.56 3.20 -1.92 -0.86 116.97 116.06 2eej h TYR 68 Ca -0.54 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.21 2eej h TYR 68 Cb 1.33 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.58 2eej h TYR 68 CO 0.30 0.22 -0.56 0.93 -1.64 0.00 0.00 178.16 177.41 2eej h GLU 69 N 0.00 0.00 0.06 1.82 5.08 -1.99 -2.05 114.58 117.50 2eej h GLU 69 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2eej h GLU 69 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2eej h GLU 69 CO 0.03 0.56 -0.61 0.87 -1.00 0.00 0.00 179.01 178.86 2eej h LYS 70 N 0.00 0.12 -0.77 2.33 1.79 -1.73 -2.65 116.57 115.65 2eej h LYS 70 Ca -0.01 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2eej h LYS 70 Cb 1.09 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.78 2eej h LYS 70 CO 0.07 1.10 0.41 -0.39 -1.08 0.00 0.00 179.45 179.56 2eej h VAL 71 N -0.73 1.23 0.08 0.50 -1.51 -1.24 -0.91 116.25 113.67 2eej h VAL 71 Ca -0.13 -0.59 -0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2eej h VAL 71 Cb 1.33 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2eej h VAL 71 CO 0.02 0.26 -0.04 1.62 -1.23 0.00 0.00 177.57 178.20 2eej h VAL 72 N 1.08 1.18 -0.97 7.19 3.04 -1.50 -2.86 116.25 123.41 2eej h VAL 72 Ca 0.27 -1.13 0.10 0.00 -1.01 0.00 0.00 66.70 64.93 2eej h VAL 72 Cb 0.04 1.89 -0.07 0.00 -2.01 0.00 0.00 31.29 31.14 2eej h VAL 72 CO -0.04 0.27 0.62 -0.78 -1.01 0.00 0.00 177.57 176.63 2eej h ASP 73 N -0.64 0.92 -0.74 3.17 3.58 -1.36 -0.87 116.42 120.46 2eej h ASP 73 Ca -0.01 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2eej h ASP 73 Cb 0.53 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 2eej h ASP 73 CO 0.02 0.53 0.42 0.03 -2.88 0.00 0.00 179.24 177.35 2eej h ARG 74 N 1.01 1.03 0.23 0.28 3.08 -1.18 0.36 114.38 119.19 2eej h ARG 74 Ca 0.46 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 2eej h ARG 74 Cb 0.39 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2eej h ARG 74 CO -0.22 0.75 -0.11 0.82 -1.07 0.00 0.00 179.97 180.15 2eej h ILE 75 N 1.02 0.83 -0.76 2.04 2.04 -1.01 -0.43 117.51 121.23 2eej h ILE 75 Ca 0.26 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2eej h ILE 75 Cb 0.01 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2eej h ILE 75 CO -0.04 0.14 0.45 1.56 0.00 0.00 0.00 178.15 180.25 2eej h GLN 76 N -0.67 1.05 -0.68 2.37 1.08 -1.14 -2.64 115.11 114.48 2eej h GLN 76 Ca -0.03 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 2eej h GLN 76 Cb 0.47 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 2eej h GLN 76 CO 0.05 0.75 0.17 1.03 -0.95 0.00 0.00 178.83 179.89 2eej h SER 77 N 1.05 1.03 -0.13 1.46 0.87 -0.28 -3.27 113.55 114.27 2eej h SER 77 Ca 0.27 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2eej h SER 77 Cb -0.01 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 2eej h SER 77 CO -0.05 0.99 -0.08 -0.24 -0.53 0.00 0.00 176.83 176.92 2eej n SER 78 N -4.28 -0.14 0.00 6.23 2.88 -0.17 -4.94 113.62 113.20 2eej n SER 78 Ca 0.05 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 2eej n SER 78 Cb 0.25 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -1.03 0.10 0.10 0.46 0.00 -1.23 -4.89 105.19 98.69 2eej n GLY 79 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 0.67 -4.87 1.61 4.01 -1.26 -4.76 118.16 113.57 2eej n LYS 80 Ca 0.00 0.19 -0.27 0.00 -0.51 0.00 0.00 58.31 57.72 2eej n LYS 80 Cb 0.00 -1.67 -0.16 0.00 -0.51 0.00 0.00 35.03 32.68 2eej n LYS 80 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2eej s ASN 81 N -6.14 2.25 -0.11 4.39 -0.87 -1.26 -0.22 114.94 112.98 2eej s ASN 81 Ca -0.13 -0.37 -0.05 0.00 -1.57 0.00 0.00 52.86 50.74 2eej s ASN 81 Cb 0.07 -0.71 0.05 0.00 -0.02 0.00 0.00 41.25 40.65 2eej s ASN 81 CO 0.79 0.15 0.24 0.54 -2.57 0.00 0.00 177.10 176.25 2eej s VAL 82 N 0.12 -0.21 0.03 1.60 0.11 -1.23 -4.96 120.40 115.86 2eej s VAL 82 Ca -0.06 0.22 -0.24 0.00 -2.93 0.00 0.00 61.98 58.97 2eej s VAL 82 Cb -0.13 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 2eej s VAL 82 CO 0.03 0.09 0.72 -0.89 -3.33 0.00 0.00 175.10 171.72 2eej s THR 83 N 1.82 4.79 0.01 5.04 2.01 -1.26 -3.20 115.64 124.85 2eej s THR 83 Ca -0.04 1.53 -0.00 0.00 0.31 0.00 0.00 61.69 63.48 2eej s THR 83 Cb -0.11 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 2eej s THR 83 CO -0.08 0.37 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.44 2eej s LEU 84 N -0.03 2.14 -0.35 4.42 1.43 -1.21 -1.78 118.68 123.29 2eej s LEU 84 Ca 0.37 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 2eej s LEU 84 Cb -0.20 0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.14 2eej s LEU 84 CO 0.21 -0.23 0.21 -0.22 0.23 0.00 0.00 176.35 176.55 2eej s LEU 85 N -1.10 4.55 -0.09 1.79 0.20 -1.13 -3.75 118.68 119.15 2eej s LEU 85 Ca -0.12 -0.71 0.01 0.00 0.69 0.00 0.00 54.13 54.00 2eej s LEU 85 Cb -0.07 -2.06 -0.02 0.00 -0.43 0.00 0.00 46.19 43.60 2eej s LEU 85 CO -0.01 -0.30 -0.11 0.68 -0.29 0.00 0.00 176.35 176.32 2eej s VAL 86 N 1.63 3.30 0.05 1.68 -7.23 -1.24 0.03 120.40 118.61 2eej s VAL 86 Ca 0.04 -0.61 0.06 0.00 -1.81 0.00 0.00 61.98 59.66 2eej s VAL 86 Cb -0.18 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 2eej s VAL 86 CO 0.08 0.56 -0.16 0.00 -0.31 0.00 0.00 175.10 175.27 2eej n GLY 88 N 1.80 0.70 3.76 0.00 0.00 -1.26 -4.38 105.19 105.80 2eej n GLY 88 Ca -0.18 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2eej n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eej s LYS 89 N -1.48 4.14 -0.19 1.61 -2.85 -1.10 -3.54 119.74 116.33 2eej s LYS 89 Ca 0.00 2.53 -0.10 0.00 -1.00 0.00 0.00 55.97 57.40 2eej s LYS 89 Cb 0.00 -3.01 -0.21 0.00 -2.06 0.00 0.00 37.83 32.56 2eej s LYS 89 CO 0.00 -0.55 0.11 1.17 0.10 0.00 0.00 175.35 176.19 2eej n LYS 90 N 1.33 0.66 -3.67 1.78 4.81 -1.26 -4.83 118.16 116.99 2eej n LYS 90 Ca 0.04 0.33 -0.15 0.00 -0.87 0.00 0.00 58.31 57.66 2eej n LYS 90 Cb 0.39 -1.65 -0.07 0.00 0.02 0.00 0.00 35.03 33.71 2eej n LYS 90 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2eej s SER 91 N -6.96 -0.37 0.27 3.14 0.01 -1.26 -4.94 113.70 103.59 2eej s SER 91 Ca -0.29 0.31 0.09 0.00 1.31 0.00 0.00 55.95 57.37 2eej s SER 91 Cb 0.08 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 2eej s SER 91 CO 0.65 -0.52 0.06 -0.83 0.41 0.00 0.00 173.24 173.01 2eej s GLY 92 N -1.34 1.63 -0.32 3.44 0.00 -1.26 -5.07 107.32 104.40 2eej s GLY 92 Ca -0.12 -1.62 -0.29 0.00 0.00 0.00 0.00 44.72 42.70 2eej s GLY 92 CO 0.06 -1.66 1.69 2.56 0.00 0.00 0.00 173.10 175.74 2eej s PRO 93 N -3.73 3.47 -1.11 2.90 0.04 -1.26 -4.91 135.00 130.40 2eej s PRO 93 Ca 0.33 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 62.51 2eej s PRO 93 Cb -0.06 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 2eej s PRO 93 CO 0.21 -1.69 1.88 0.45 0.04 0.00 0.00 177.00 177.90 2eej s SER 94 N 5.30 5.37 -0.25 6.66 0.15 -1.26 -4.86 113.70 124.80 2eej s SER 94 Ca 0.75 -1.46 -0.01 0.00 0.70 0.00 0.00 55.95 55.93 2eej s SER 94 Cb -0.21 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.60 2eej s SER 94 CO 0.33 -2.66 0.04 -0.44 1.20 0.00 0.00 173.24 171.71 2eej s SER 95 N 6.58 3.53 0.00 5.45 0.01 -1.26 -5.37 113.70 122.64 2eej s SER 95 Ca 0.66 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2eej s SER 95 Cb -0.02 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2eej s SER 95 CO 0.07 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.99