#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 0.43 -0.50 1.61 0.01 -1.26 -5.09 113.70 108.91 2eej s SER 2 Ca 0.00 -0.01 -0.45 0.00 1.31 0.00 0.00 55.95 56.80 2eej s SER 2 Cb 0.00 -0.20 -0.19 0.00 0.21 0.00 0.00 66.02 65.84 2eej s SER 2 CO 0.00 -0.11 1.98 -1.20 0.41 0.00 0.00 173.24 174.32 2eej n SER 3 N 4.23 0.91 0.00 2.44 7.64 -1.26 -4.45 113.62 123.13 2eej n SER 3 Ca -0.25 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2eej n SER 3 Cb 0.50 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2eej n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eej n GLY 4 N 6.46 -1.75 3.63 0.23 0.00 -1.26 -5.00 105.19 107.51 2eej n GLY 4 Ca 0.48 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 2eej n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eej n SER 5 N 0.00 0.17 -3.94 1.61 3.41 -1.26 -4.98 113.62 108.62 2eej n SER 5 Ca 0.00 0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 58.81 2eej n SER 5 Cb 0.00 -1.43 -0.13 0.00 -0.26 0.00 0.00 64.21 62.39 2eej n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2eej s SER 6 N -2.22 4.64 0.00 4.04 0.15 -1.26 -4.88 113.70 114.17 2eej s SER 6 Ca 0.68 -3.39 0.00 0.00 0.70 0.00 0.00 55.95 53.94 2eej s SER 6 Cb -0.26 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2eej s SER 6 CO 0.56 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2eej n GLY 7 N 2.62 0.00 1.84 9.45 0.00 -1.26 -4.69 105.19 113.14 2eej n GLY 7 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.14 -3.99 1.61 -0.04 -1.26 -4.27 135.00 124.92 2eej n PRO 8 Ca 0.00 -0.92 -0.13 0.00 -0.04 0.00 0.00 63.50 62.41 2eej n PRO 8 Cb 0.00 -0.86 -0.14 0.00 -0.04 0.00 0.00 33.50 32.46 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 -4.30 0.21 -0.32 0.54 -2.85 -0.73 -4.94 119.74 107.35 2eej s LYS 9 Ca 0.37 -0.16 -0.21 0.00 -1.00 0.00 0.00 55.97 54.97 2eej s LYS 9 Cb -0.04 -0.15 -0.00 0.00 -2.06 0.00 0.00 37.83 35.58 2eej s LYS 9 CO 0.29 0.04 0.67 -1.17 0.10 0.00 0.00 175.35 175.28 2eej s LEU 10 N -0.26 4.16 0.05 2.77 1.98 -1.26 -3.72 118.68 122.39 2eej s LEU 10 Ca -0.01 0.40 0.07 0.00 -2.89 0.00 0.00 54.13 51.70 2eej s LEU 10 Cb -0.02 -2.87 -0.03 0.00 0.66 0.00 0.00 46.19 43.93 2eej s LEU 10 CO -0.00 -0.55 -0.20 0.00 -1.89 0.00 0.00 176.35 173.71 2eej s ARG 12 N -1.29 2.42 0.39 0.00 0.52 -1.26 -3.31 118.95 116.41 2eej s ARG 12 Ca 0.06 -1.25 -0.21 0.00 -0.52 0.00 0.00 55.73 53.81 2eej s ARG 12 Cb -0.09 -3.02 -0.10 0.00 0.52 0.00 0.00 34.95 32.26 2eej s ARG 12 CO 0.02 -0.56 0.91 -0.51 0.02 0.00 0.00 175.30 175.18 2eej s LEU 13 N 1.20 4.05 -0.04 2.53 1.43 -0.38 -4.90 118.68 122.58 2eej s LEU 13 Ca -0.06 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 2eej s LEU 13 Cb -0.19 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 41.71 2eej s LEU 13 CO -0.03 -0.26 -0.04 0.00 0.23 0.00 0.00 176.35 176.24 2eej s ALA 14 N -2.01 0.58 -0.01 4.21 0.00 -1.26 -2.88 121.76 120.40 2eej s ALA 14 Ca 0.58 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 2eej s ALA 14 Cb -0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2eej s ALA 14 CO 0.16 -0.00 0.94 0.21 0.00 0.00 0.00 175.76 177.07 2eej s LYS 15 N 0.83 4.55 0.00 0.00 2.20 0.10 -4.60 119.74 122.83 2eej s LYS 15 Ca -0.11 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 2eej s LYS 15 Cb -0.13 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2eej s LYS 15 CO -0.00 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2eej n GLY 16 N 2.91 1.54 0.89 5.54 0.00 -1.26 -4.98 105.19 109.82 2eej n GLY 16 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 2eej n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eej n GLU 17 N -0.43 0.00 -0.02 1.61 4.71 -1.26 -4.98 120.64 120.27 2eej n GLU 17 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 2eej n GLU 17 Cb 0.00 -0.08 -0.00 0.00 -1.01 0.00 0.00 31.44 30.35 2eej n GLU 17 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2eej h ASN 18 N -0.00 0.00 -5.22 1.62 2.35 -2.03 -3.50 115.58 108.80 2eej h ASN 18 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 2eej h ASN 18 Cb 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.23 2eej h ASN 18 CO 0.00 0.21 -0.46 -0.83 -1.65 0.00 0.00 177.43 174.70 2eej s GLY 19 N -2.83 0.32 0.14 2.83 0.00 -1.26 -5.06 107.32 101.45 2eej s GLY 19 Ca -0.03 -0.87 -0.31 0.00 0.00 0.00 0.00 44.72 43.51 2eej s GLY 19 CO 0.04 -0.98 1.56 -0.97 0.00 0.00 0.00 173.10 172.75 2eej h TYR 20 N 2.82 -1.53 0.00 1.90 0.05 -1.94 -3.40 116.97 114.86 2eej h TYR 20 Ca -0.34 0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2eej h TYR 20 Cb 1.19 0.72 0.00 0.00 1.01 0.00 0.00 36.73 39.65 2eej h TYR 20 CO 0.45 -0.48 0.00 0.41 -1.05 0.00 0.00 178.16 177.49 2eej n GLY 21 N -1.40 3.07 3.97 3.88 0.00 -1.26 -4.12 105.19 109.34 2eej n GLY 21 Ca -0.02 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 2.41 0.30 1.61 -0.71 -1.26 -3.89 117.98 116.44 2eej s PHE 22 Ca 0.00 -0.03 0.05 0.00 -1.04 0.00 0.00 56.93 55.91 2eej s PHE 22 Cb 0.00 -2.92 -0.03 0.00 -1.21 0.00 0.00 43.02 38.86 2eej s PHE 22 CO 0.00 -1.26 0.25 -1.01 -1.34 0.00 0.00 175.22 171.86 2eej s HIS 23 N -2.98 1.61 0.17 3.49 3.76 0.20 -4.94 115.29 116.60 2eej s HIS 23 Ca 0.61 -1.59 0.09 0.00 -0.15 0.00 0.00 55.06 54.02 2eej s HIS 23 Cb -0.09 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.90 2eej s HIS 23 CO 0.42 -0.83 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.84 2eej s LEU 24 N -3.32 2.87 -0.14 0.89 1.02 -1.26 -0.82 118.68 117.92 2eej s LEU 24 Ca 0.40 -0.61 -0.09 0.00 0.02 0.00 0.00 54.13 53.85 2eej s LEU 24 Cb 0.03 -1.58 0.05 0.00 0.02 0.00 0.00 46.19 44.71 2eej s LEU 24 CO 0.24 0.11 0.34 0.21 0.02 0.00 0.00 176.35 177.28 2eej s ASN 25 N -2.72 -0.40 -0.70 2.29 3.84 0.01 -4.82 114.94 112.45 2eej s ASN 25 Ca 0.24 0.73 -0.23 0.00 0.21 0.00 0.00 52.86 53.80 2eej s ASN 25 Cb -0.09 0.65 0.06 0.00 -0.55 0.00 0.00 41.25 41.32 2eej s ASN 25 CO 0.14 -0.16 1.05 0.00 -2.79 0.00 0.00 177.10 175.34 2eej s ALA 26 N 0.98 3.04 -0.83 1.71 0.00 -1.26 -1.67 121.76 123.73 2eej s ALA 26 Ca -0.07 -1.80 -0.25 0.00 0.00 0.00 0.00 51.96 49.84 2eej s ALA 26 Cb -0.07 -3.97 0.03 0.00 0.00 0.00 0.00 23.12 19.11 2eej s ALA 26 CO -0.07 -2.92 1.42 0.42 0.00 0.00 0.00 175.76 174.61 2eej s ILE 27 N 4.37 3.75 0.06 0.00 -1.09 -1.26 -4.95 121.20 122.07 2eej s ILE 27 Ca 0.26 -0.04 -0.27 0.00 -2.23 0.00 0.00 60.65 58.37 2eej s ILE 27 Cb -0.14 -4.85 -0.14 0.00 -1.58 0.00 0.00 42.46 35.75 2eej s ILE 27 CO 0.10 -1.77 0.65 0.54 -1.23 0.00 0.00 174.94 173.23 2eej n ARG 28 N 9.17 0.00 0.00 2.79 3.00 -1.26 -2.83 116.66 127.53 2eej n ARG 28 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.00 2eej n ARG 28 Cb 0.50 -0.99 0.00 0.00 0.00 0.00 0.00 32.46 31.97 2eej n ARG 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2eej n GLY 29 N 1.29 2.41 3.88 -0.13 0.00 -1.26 -5.05 105.19 106.33 2eej n GLY 29 Ca 0.15 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2eej n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 30 N 0.00 4.31 1.17 0.99 1.43 -1.13 -5.11 118.68 120.35 2eej s LEU 30 Ca 0.00 0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 2eej s LEU 30 Cb 0.00 -2.41 0.27 0.00 0.03 0.00 0.00 46.19 44.08 2eej s LEU 30 CO 0.00 0.31 1.11 -2.16 0.23 0.00 0.00 176.35 175.83 2eej s PRO 31 N -1.65 -0.97 1.18 1.29 0.04 -1.26 -4.62 135.00 129.01 2eej s PRO 31 Ca 0.23 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2eej s PRO 31 Cb -0.12 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2eej s PRO 31 CO 0.14 -3.56 0.00 0.41 0.04 0.00 0.00 177.00 174.03 2eej n GLY 32 N -0.99 -1.94 3.52 0.56 0.00 -0.68 -4.98 105.19 100.69 2eej n GLY 32 Ca 0.12 -1.38 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 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 3.41 0.06 1.61 1.04 -1.26 -4.68 113.70 109.87 2eej s SER 33 Ca 0.00 -1.25 0.05 0.00 0.48 0.00 0.00 55.95 55.22 2eej s SER 33 Cb 0.00 -0.29 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 2eej s SER 33 CO 0.00 -0.33 -0.13 -0.36 0.98 0.00 0.00 173.24 173.40 2eej s PHE 34 N -2.79 1.15 -0.15 5.02 0.40 -0.67 -1.23 117.98 119.70 2eej s PHE 34 Ca 0.33 -0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 55.95 2eej s PHE 34 Cb 0.05 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 42.91 2eej s PHE 34 CO 0.16 0.04 1.09 0.42 0.70 0.00 0.00 175.22 177.62 2eej s ILE 35 N -1.11 4.58 0.03 0.64 1.01 0.35 -0.81 121.20 125.89 2eej s ILE 35 Ca -0.01 1.88 0.01 0.00 0.00 0.00 0.00 60.65 62.53 2eej s ILE 35 Cb -0.09 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 2eej s ILE 35 CO 0.02 -0.09 -0.05 -0.75 0.00 0.00 0.00 174.94 174.07 2eej s LYS 36 N 2.71 0.44 -1.22 2.79 2.47 -0.00 -3.57 119.74 123.36 2eej s LYS 36 Ca 0.49 -0.75 -0.05 0.00 -1.56 0.00 0.00 55.97 54.10 2eej s LYS 36 Cb -0.19 -0.05 0.01 0.00 -1.46 0.00 0.00 37.83 36.14 2eej s LYS 36 CO 0.14 -0.02 1.04 0.39 0.16 0.00 0.00 175.35 177.07 2eej n GLU 37 N 1.34 -6.98 -3.01 4.03 1.02 -1.26 -0.63 120.64 115.15 2eej n GLU 37 Ca -0.22 0.79 -0.43 0.00 -0.02 0.00 0.00 57.16 57.27 2eej n GLU 37 Cb 0.56 -5.68 -0.05 0.00 -0.02 0.00 0.00 31.44 26.24 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 -3.32 4.65 0.61 2.62 0.11 -1.26 -4.15 120.40 119.65 2eej s VAL 38 Ca 0.32 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.05 2eej s VAL 38 Cb -0.14 -4.41 -0.03 0.00 -1.53 0.00 0.00 36.38 30.26 2eej s VAL 38 CO 0.69 -0.95 1.19 1.67 -3.33 0.00 0.00 175.10 174.37 2eej n GLN 39 N 6.78 1.16 -3.14 1.54 7.27 -1.25 -4.92 117.38 124.83 2eej n GLN 39 Ca -0.03 0.45 -0.41 0.00 0.07 0.00 0.00 57.00 57.07 2eej n GLN 39 Cb 0.46 -2.41 -0.07 0.00 2.41 0.00 0.00 30.24 30.63 2eej n GLN 39 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2eej s LYS 40 N -3.05 3.76 0.00 3.69 2.47 -1.26 -3.87 119.74 121.48 2eej s LYS 40 Ca 0.78 0.11 0.00 0.00 -1.56 0.00 0.00 55.97 55.30 2eej s LYS 40 Cb -0.40 -3.78 0.00 0.00 -1.46 0.00 0.00 37.83 32.19 2eej s LYS 40 CO 0.44 -0.65 0.00 0.41 0.16 0.00 0.00 175.35 175.71 2eej n GLY 41 N 4.60 1.04 0.00 5.54 0.00 -1.26 -5.09 105.19 110.01 2eej n GLY 41 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.32 1.55 0.14 -0.02 0.00 -1.25 -4.85 105.19 100.43 2eej n GLY 42 Ca 0.00 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 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 0.36 0.72 1.61 0.13 -1.81 -2.29 132.00 130.72 2eej h PRO 43 Ca 0.00 -0.19 -0.03 0.00 -0.87 0.00 0.00 66.00 64.91 2eej h PRO 43 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2eej h PRO 43 CO 0.00 0.74 -0.44 0.00 -0.23 0.00 0.00 178.00 178.07 2eej h ALA 44 N 0.61 -1.13 0.30 -0.56 0.00 -1.90 -0.61 119.26 115.99 2eej h ALA 44 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2eej h ALA 44 Cb 0.67 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2eej h ALA 44 CO 0.04 -1.15 -0.35 0.22 0.00 0.00 0.00 179.25 178.01 2eej h ASP 45 N -1.09 -0.98 -0.82 0.00 3.58 -1.69 0.27 116.42 115.70 2eej h ASP 45 Ca -0.09 0.08 0.16 0.00 0.42 0.00 0.00 57.03 57.60 2eej h ASP 45 Cb 0.88 0.33 -0.15 0.00 1.72 0.00 0.00 39.33 42.10 2eej h ASP 45 CO 0.10 -0.44 -0.23 -0.07 -2.88 0.00 0.00 179.24 175.71 2eej h LEU 46 N -0.66 -0.86 -1.24 2.28 3.38 -1.45 0.66 115.31 117.42 2eej h LEU 46 Ca -0.04 0.25 0.07 0.00 0.09 0.00 0.00 57.88 58.26 2eej h LEU 46 Cb 0.59 0.54 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 2eej h LEU 46 CO -0.07 -0.28 0.55 0.00 0.09 0.00 0.00 178.44 178.73 2eej h ALA 47 N 1.71 1.61 0.00 1.53 0.00 -0.79 -3.46 119.26 119.86 2eej h ALA 47 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2eej h ALA 47 Cb 0.60 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2eej h ALA 47 CO -0.85 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.06 2eej n GLY 48 N -1.42 1.75 3.84 0.00 0.00 0.23 -4.93 105.19 104.66 2eej n GLY 48 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 4.39 0.43 0.99 1.43 0.80 -4.98 118.68 121.73 2eej s LEU 49 Ca 0.00 0.63 0.07 0.00 -1.03 0.00 0.00 54.13 53.80 2eej s LEU 49 Cb 0.00 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 2eej s LEU 49 CO 0.00 0.33 0.17 -0.70 0.23 0.00 0.00 176.35 176.37 2eej s GLU 50 N -0.77 2.20 0.00 1.70 2.12 -1.26 -3.96 118.70 118.73 2eej s GLU 50 Ca 0.18 -1.92 0.16 0.00 0.36 0.00 0.00 54.97 53.75 2eej s GLU 50 Cb -0.14 -1.93 0.95 0.00 0.26 0.00 0.00 34.13 33.28 2eej s GLU 50 CO 0.07 -0.16 1.54 -0.40 -0.54 0.00 0.00 175.26 175.77 2eej n ASP 51 N -1.25 0.00 -0.01 -1.70 5.68 -1.26 -2.64 116.55 115.37 2eej n ASP 51 Ca -0.03 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 2eej n ASP 51 Cb 0.65 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.63 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 -0.78 3.91 -2.21 0.11 -0.58 -1.23 -4.41 120.64 115.46 2eej n GLU 52 Ca 0.12 -0.20 -0.35 0.00 -0.42 0.00 0.00 57.16 56.31 2eej n GLU 52 Cb 0.05 -0.71 0.01 0.00 -0.57 0.00 0.00 31.44 30.22 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 -0.69 5.70 0.19 1.62 1.11 -1.08 -4.82 116.67 118.69 2eej s ASP 53 Ca 0.00 2.11 0.09 0.00 0.18 0.00 0.00 52.55 54.94 2eej s ASP 53 Cb 0.01 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 2eej s ASP 53 CO 0.02 -1.23 -0.12 0.68 1.18 0.00 0.00 175.17 175.70 2eej s VAL 54 N -1.90 3.04 -0.38 -1.27 -7.23 -1.26 -0.50 120.40 110.89 2eej s VAL 54 Ca 0.71 -1.76 -0.14 0.00 -1.81 0.00 0.00 61.98 58.98 2eej s VAL 54 Cb -0.22 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.22 2eej s VAL 54 CO 0.29 -0.13 0.28 -0.63 -0.31 0.00 0.00 175.10 174.59 2eej s ILE 55 N -1.76 5.27 -0.09 -0.62 1.01 -0.37 -4.12 121.20 120.52 2eej s ILE 55 Ca 0.25 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 2eej s ILE 55 Cb -0.08 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 2eej s ILE 55 CO 0.14 -0.20 -0.13 -0.38 0.00 0.00 0.00 174.94 174.38 2eej n ILE 56 N 5.15 0.92 -4.46 2.92 5.41 0.21 -4.12 119.36 125.39 2eej n ILE 56 Ca -0.11 0.31 -0.25 0.00 1.00 0.00 0.00 62.75 63.70 2eej n ILE 56 Cb 0.48 -2.07 -0.10 0.00 -0.71 0.00 0.00 39.64 37.24 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 -1.85 1.87 -0.06 0.38 2.02 -1.23 -2.36 118.70 117.46 2eej s GLU 57 Ca -0.11 -1.81 -0.03 0.00 0.02 0.00 0.00 54.97 53.04 2eej s GLU 57 Cb 0.01 -1.80 0.04 0.00 0.10 0.00 0.00 34.13 32.48 2eej s GLU 57 CO 0.16 0.21 0.07 0.54 0.02 0.00 0.00 175.26 176.26 2eej s VAL 58 N -2.54 -0.12 -1.80 2.63 0.11 -0.34 -1.55 120.40 116.79 2eej s VAL 58 Ca 0.32 0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 2eej s VAL 58 Cb -0.01 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 2eej s VAL 58 CO 0.17 0.11 0.00 0.59 -3.33 0.00 0.00 175.10 172.63 2eej n ASN 59 N 5.30 -5.90 -1.49 3.54 3.02 -0.11 -3.23 115.26 116.40 2eej n ASN 59 Ca -0.04 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2eej n ASN 59 Cb 0.50 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 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 -0.99 0.80 3.64 7.41 0.00 -1.26 -5.05 105.19 109.74 2eej n GLY 60 Ca -0.25 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.99 0.00 -0.10 1.61 0.11 -1.20 -5.14 120.40 112.69 2eej s VAL 61 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 2eej s VAL 61 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2eej s VAL 61 CO 0.00 0.00 1.10 0.21 -3.33 0.00 0.00 175.10 173.08 2eej s ASN 62 N 0.09 7.14 -0.06 3.54 3.84 -1.26 -1.19 114.94 127.04 2eej s ASN 62 Ca 0.04 1.65 0.08 0.00 0.21 0.00 0.00 52.86 54.84 2eej s ASN 62 Cb -0.05 -2.55 0.13 0.00 -0.55 0.00 0.00 41.25 38.23 2eej s ASN 62 CO -0.07 -0.54 1.05 1.33 -2.79 0.00 0.00 177.10 176.07 2eej n VAL 63 N 4.68 0.87 0.00 -5.21 0.24 -1.00 -4.84 118.33 113.08 2eej n VAL 63 Ca 0.10 -1.04 -0.11 0.00 -2.04 0.00 0.00 64.34 61.26 2eej n VAL 63 Cb 0.47 0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 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 0.00 -0.02 -1.28 1.34 3.38 -1.85 -1.97 115.31 114.91 2eej h LEU 64 Ca 0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2eej h LEU 64 Cb 1.18 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2eej h LEU 64 CO 0.00 0.00 -0.21 0.44 0.09 0.00 0.00 178.44 178.76 2eej h ASP 65 N 0.04 0.00 -3.99 -0.43 5.19 -1.93 -1.81 116.42 113.49 2eej h ASP 65 Ca 0.04 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.92 2eej h ASP 65 Cb 0.04 0.00 0.10 0.00 0.18 0.00 0.00 39.33 39.66 2eej h ASP 65 CO -0.06 0.21 0.63 -1.61 -3.12 0.00 0.00 179.24 175.29 2eej s GLU 66 N -3.76 3.69 0.64 3.56 0.41 -0.74 -4.88 118.70 117.61 2eej s GLU 66 Ca -0.00 2.22 -0.16 0.00 -0.41 0.00 0.00 54.97 56.63 2eej s GLU 66 Cb 0.11 -2.59 -0.01 0.00 -1.78 0.00 0.00 34.13 29.86 2eej s GLU 66 CO 0.63 -0.75 1.11 -1.25 -0.49 0.00 0.00 175.26 174.51 2eej s PRO 67 N -2.49 2.89 0.56 0.39 0.04 -1.26 -4.28 135.00 130.85 2eej s PRO 67 Ca 0.62 1.42 0.27 0.00 0.04 0.00 0.00 61.00 63.34 2eej s PRO 67 Cb -0.39 -1.96 1.50 0.00 0.04 0.00 0.00 34.50 33.68 2eej s PRO 67 CO 0.50 -1.19 2.02 -0.92 0.04 0.00 0.00 177.00 177.45 2eej h TYR 68 N 0.20 0.00 0.00 0.56 5.03 -1.94 0.37 116.97 121.19 2eej h TYR 68 Ca -0.47 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 60.76 2eej h TYR 68 Cb 1.25 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.52 2eej h TYR 68 CO 0.54 0.00 -0.35 0.93 -1.32 0.00 0.00 178.16 177.96 2eej h GLU 69 N 0.00 0.00 0.06 1.82 4.39 -1.99 -2.98 114.58 115.88 2eej h GLU 69 Ca 0.18 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.74 2eej h GLU 69 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2eej h GLU 69 CO -0.00 0.35 -0.68 -0.22 -1.16 0.00 0.00 179.01 177.30 2eej h LYS 70 N 0.00 0.13 -0.68 2.33 1.63 -0.66 -3.18 116.57 116.14 2eej h LYS 70 Ca -0.00 -0.22 0.05 0.00 -0.85 0.00 0.00 60.65 59.63 2eej h LYS 70 Cb 1.15 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.81 2eej h LYS 70 CO 0.05 1.10 0.40 -0.39 -3.45 0.00 0.00 179.45 177.16 2eej h VAL 71 N -0.70 1.02 0.33 2.00 -1.51 -1.34 -2.59 116.25 113.47 2eej h VAL 71 Ca -0.15 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.05 2eej h VAL 71 Cb 1.37 0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2eej h VAL 71 CO 0.02 0.14 -0.18 1.62 -1.23 0.00 0.00 177.57 177.94 2eej h VAL 72 N 0.76 0.62 -0.95 7.19 3.04 -1.66 -1.98 116.25 123.25 2eej h VAL 72 Ca 0.29 0.00 0.27 0.00 -1.01 0.00 0.00 66.70 66.25 2eej h VAL 72 Cb 0.12 0.62 -0.04 0.00 -2.01 0.00 0.00 31.29 29.98 2eej h VAL 72 CO -0.15 0.00 0.68 -0.78 -1.01 0.00 0.00 177.57 176.30 2eej h ASP 73 N -0.49 0.06 -0.05 3.17 3.58 -1.47 0.27 116.42 121.49 2eej h ASP 73 Ca -0.04 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2eej h ASP 73 Cb 0.39 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2eej h ASP 73 CO 0.05 0.02 -0.12 0.03 -2.88 0.00 0.00 179.24 176.35 2eej h ARG 74 N 0.06 0.16 -0.09 0.28 3.08 -1.00 -1.33 114.38 115.54 2eej h ARG 74 Ca 0.46 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.30 2eej h ARG 74 Cb 1.74 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 2eej h ARG 74 CO -0.04 0.71 -0.39 0.82 -1.07 0.00 0.00 179.97 180.01 2eej h ILE 75 N -0.36 1.30 -0.06 2.04 2.04 -0.42 -0.90 117.51 121.14 2eej h ILE 75 Ca -0.00 -1.44 -0.19 0.00 1.00 0.00 0.00 64.86 64.23 2eej h ILE 75 Cb 0.71 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2eej h ILE 75 CO 0.03 0.43 -0.76 1.56 0.00 0.00 0.00 178.15 179.40 2eej h GLN 76 N 0.17 0.39 0.00 2.37 1.08 -0.58 -3.15 115.11 115.39 2eej h GLN 76 Ca 0.02 -0.33 -0.09 0.00 -1.45 0.00 0.00 58.65 56.79 2eej h GLN 76 Cb 0.77 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 2eej h GLN 76 CO 0.06 0.98 -0.45 1.03 -0.95 0.00 0.00 178.83 179.50 2eej h SER 77 N 0.26 0.00 -0.39 1.46 0.87 -1.04 -3.30 113.55 111.41 2eej h SER 77 Ca -0.04 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 2eej h SER 77 Cb 1.35 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.26 2eej h SER 77 CO 0.13 0.45 0.10 0.28 -0.53 0.00 0.00 176.83 177.26 2eej h SER 78 N 0.00 0.07 0.00 6.23 0.02 -1.11 -3.49 113.55 115.27 2eej h SER 78 Ca -0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2eej h SER 78 Cb 1.32 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2eej h SER 78 CO 0.06 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 2eej n GLY 79 N -1.24 0.07 0.04 -3.77 0.00 -1.24 -4.64 105.19 94.41 2eej n GLY 79 Ca 0.02 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.44 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 0.23 -4.28 1.61 2.85 -1.26 -4.80 118.16 112.52 2eej n LYS 80 Ca 0.00 0.05 -0.31 0.00 -1.05 0.00 0.00 58.31 57.00 2eej n LYS 80 Cb 0.00 -1.63 -0.16 0.00 -0.65 0.00 0.00 35.03 32.59 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 -3.92 2.88 -0.03 -5.58 2.20 -1.26 0.03 114.94 109.25 2eej s ASN 81 Ca 0.07 -0.55 -0.12 0.00 -0.94 0.00 0.00 52.86 51.31 2eej s ASN 81 Cb 0.14 -1.32 0.02 0.00 -2.00 0.00 0.00 41.25 38.10 2eej s ASN 81 CO 0.73 0.01 0.28 0.54 -2.94 0.00 0.00 177.10 175.71 2eej s VAL 82 N 1.18 0.05 -0.05 3.54 0.11 -1.14 -4.88 120.40 119.21 2eej s VAL 82 Ca 0.00 -0.40 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 2eej s VAL 82 Cb -0.14 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2eej s VAL 82 CO -0.08 -0.22 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.40 2eej s THR 83 N -0.98 2.68 0.01 5.04 2.01 -1.26 -1.24 115.64 121.88 2eej s THR 83 Ca -0.11 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.07 2eej s THR 83 Cb -0.05 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 2eej s THR 83 CO 0.03 0.58 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.69 2eej s LEU 84 N -0.48 2.06 -0.42 4.42 1.43 -1.21 -0.94 118.68 123.55 2eej s LEU 84 Ca 0.06 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 2eej s LEU 84 Cb -0.12 -0.42 0.03 0.00 0.03 0.00 0.00 46.19 45.72 2eej s LEU 84 CO 0.01 0.06 0.31 -0.22 0.23 0.00 0.00 176.35 176.74 2eej s LEU 85 N -0.47 5.16 -0.03 1.79 0.20 -0.59 -3.89 118.68 120.85 2eej s LEU 85 Ca 0.01 -0.97 0.00 0.00 0.69 0.00 0.00 54.13 53.86 2eej s LEU 85 Cb -0.05 -2.15 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 2eej s LEU 85 CO -0.00 -0.48 0.02 0.68 -0.29 0.00 0.00 176.35 176.28 2eej s VAL 86 N 1.67 4.34 0.03 1.68 -7.23 -1.24 -0.62 120.40 119.02 2eej s VAL 86 Ca 0.05 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2eej s VAL 86 Cb -0.20 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2eej s VAL 86 CO 0.09 0.43 0.13 0.00 -0.31 0.00 0.00 175.10 175.45 2eej n GLY 88 N 0.76 -0.00 3.69 0.00 0.00 -1.26 -4.66 105.19 103.72 2eej n GLY 88 Ca -0.10 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.25 4.25 -0.06 1.61 -2.85 -1.26 -4.98 119.74 115.19 2eej s LYS 89 Ca 0.62 2.16 -0.25 0.00 -1.00 0.00 0.00 55.97 57.50 2eej s LYS 89 Cb -0.71 -3.50 -0.03 0.00 -2.06 0.00 0.00 37.83 31.53 2eej s LYS 89 CO 0.58 -0.62 0.76 -1.59 0.10 0.00 0.00 175.35 174.58 2eej s LYS 90 N 2.21 4.45 0.40 1.78 -2.85 -1.26 -5.06 119.74 119.41 2eej s LYS 90 Ca 0.68 0.99 -0.04 0.00 -1.00 0.00 0.00 55.97 56.60 2eej s LYS 90 Cb -0.37 -3.46 -0.04 0.00 -2.06 0.00 0.00 37.83 31.90 2eej s LYS 90 CO 0.30 0.01 0.68 -1.54 0.10 0.00 0.00 175.35 174.90 2eej s SER 91 N 0.87 6.33 0.00 0.03 1.04 -1.26 -5.09 113.70 115.62 2eej s SER 91 Ca 0.40 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.61 2eej s SER 91 Cb -0.18 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2eej s SER 91 CO 0.19 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2eej n GLY 92 N -1.79 1.86 3.64 7.32 0.00 -1.26 -5.12 105.19 109.84 2eej n GLY 92 Ca -0.01 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.80 3.94 -0.09 1.61 0.04 -1.26 -4.93 135.00 132.51 2eej s PRO 93 Ca 0.00 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 2eej s PRO 93 Cb 0.00 -3.99 -0.01 0.00 0.04 0.00 0.00 34.50 30.54 2eej s PRO 93 CO 0.00 -1.12 -0.05 0.77 0.04 0.00 0.00 177.00 176.64 2eej h SER 94 N 10.13 0.00 -3.69 6.66 0.02 -2.04 -3.50 113.55 121.14 2eej h SER 94 Ca -0.34 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 60.80 2eej h SER 94 Cb 1.15 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.45 2eej h SER 94 CO 0.99 0.46 0.78 -0.94 -1.14 0.00 0.00 176.83 176.98 2eej s SER 95 N -5.08 -0.17 0.00 3.07 1.04 -1.26 -5.37 113.70 105.93 2eej s SER 95 Ca -0.04 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2eej s SER 95 Cb 0.01 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2eej s SER 95 CO 0.06 -0.18 0.51 0.61 0.98 0.00 0.00 173.24 175.22