#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s SER 2 N 0.00 4.48 0.10 8.00 1.04 -1.26 -4.99 113.70 121.07 2otj s SER 2 Ca 0.00 0.30 -0.18 0.00 0.48 0.00 0.00 55.95 56.55 2otj s SER 2 Cb 0.00 -0.82 -0.06 0.00 0.10 0.00 0.00 66.02 65.24 2otj s SER 2 CO 0.00 -1.81 1.59 0.50 0.98 0.00 0.00 173.24 174.50 2otj h LYS 3 N -0.75 0.44 -0.35 4.02 3.64 -2.07 -2.91 116.57 118.59 2otj h LYS 3 Ca -0.43 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 58.91 2otj h LYS 3 Cb 1.30 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 2otj h LYS 3 CO 0.54 0.53 -0.04 0.87 -2.27 0.00 0.00 179.45 179.08 2otj h LYS 4 N 0.28 0.05 -0.17 1.90 1.57 -2.02 -1.58 116.57 116.59 2otj h LYS 4 Ca 0.09 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2otj h LYS 4 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2otj h LYS 4 CO 0.00 0.03 0.21 -0.22 -0.57 0.00 0.00 179.45 178.91 2otj h LYS 5 N 0.05 0.00 -0.25 3.15 1.63 -1.90 -1.06 116.57 118.19 2otj h LYS 5 Ca 0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2otj h LYS 5 Cb 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2otj h LYS 5 CO -0.32 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.22 2otj n ARG 6 N -3.69 2.07 0.21 1.90 1.74 -0.60 -4.38 116.66 113.91 2otj n ARG 6 Ca 0.01 -1.61 0.09 0.00 -0.77 0.00 0.00 57.85 55.58 2otj n ARG 6 Cb 0.33 -1.44 0.29 0.00 -1.02 0.00 0.00 32.46 30.62 2otj n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2otj h GLN 7 N 3.23 0.00 -6.17 5.56 1.08 -1.18 -3.45 115.11 114.18 2otj h GLN 7 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 2otj h GLN 7 Cb 0.71 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 2otj h GLN 7 CO 0.00 0.21 1.33 1.03 -0.95 0.00 0.00 178.83 180.45 2otj s ARG 8 N -3.34 3.47 0.00 1.46 1.81 -1.26 -1.42 118.95 119.67 2otj s ARG 8 Ca 0.03 1.91 0.00 0.00 -1.72 0.00 0.00 55.73 55.95 2otj s ARG 8 Cb 0.08 -4.23 0.00 0.00 -0.45 0.00 0.00 34.95 30.35 2otj s ARG 8 CO 0.66 -1.70 0.00 0.41 -0.68 0.00 0.00 175.30 173.99 2otj n GLY 9 N 5.27 2.04 0.11 -3.53 0.00 -1.26 -4.97 105.19 102.85 2otj n GLY 9 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 2otj n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2otj n SER 10 N 0.00 0.75 0.00 1.61 3.41 -0.50 -4.93 113.62 113.96 2otj n SER 10 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2otj n SER 10 Cb 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 2otj n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2otj n ARG 11 N -2.24 0.00 -0.01 4.33 0.63 -1.26 -4.09 116.66 114.02 2otj n ARG 11 Ca 0.04 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.10 2otj n ARG 11 Cb 0.36 0.00 0.70 0.00 0.45 0.00 0.00 32.46 33.97 2otj n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2otj n THR 12 N 0.00 0.02 -4.25 5.15 -2.24 -1.26 -4.93 114.28 106.77 2otj n THR 12 Ca 0.00 -0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 2otj n THR 12 Cb 0.00 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 2otj n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2otj n HIS 13 N -0.63 -1.49 -1.07 4.78 8.25 -1.26 -0.50 115.22 123.31 2otj n HIS 13 Ca 0.19 0.72 -0.02 0.00 -0.26 0.00 0.00 57.72 58.35 2otj n HIS 13 Cb 0.15 -2.87 -0.01 0.00 1.12 0.00 0.00 29.99 28.39 2otj n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2otj n GLY 14 N -1.73 0.50 0.68 -1.41 0.00 -1.26 -4.90 105.19 97.07 2otj n GLY 14 Ca -0.10 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.85 2otj n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 15 N -1.56 0.60 6.33 -0.02 0.00 0.35 -5.05 105.19 105.85 2otj n GLY 15 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2otj n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 16 N 1.21 0.36 3.73 -0.02 0.00 -1.26 -4.69 105.19 104.52 2otj n GLY 16 Ca 0.17 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 2otj n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2otj n SER 17 N 3.47 2.86 0.00 1.61 2.88 -1.26 -4.78 113.62 118.40 2otj n SER 17 Ca 0.00 1.07 0.06 0.00 -1.33 0.00 0.00 58.87 58.67 2otj n SER 17 Cb 0.00 -1.56 0.31 0.00 -0.75 0.00 0.00 64.21 62.21 2otj n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2otj n HIS 18 N -0.46 0.00 1.46 0.66 -0.00 -1.26 -1.45 115.22 114.18 2otj n HIS 18 Ca 0.07 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.92 2otj n HIS 18 Cb 0.42 -0.22 0.50 0.00 -0.00 0.00 0.00 29.99 30.68 2otj n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2otj n LYS 19 N -1.22 1.59 -0.02 -1.40 5.02 -1.26 -4.47 118.16 116.40 2otj n LYS 19 Ca 0.06 -0.87 -0.00 0.00 -2.02 0.00 0.00 58.31 55.48 2otj n LYS 19 Cb 0.08 -1.43 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2otj n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2otj h ASN 20 N 1.94 0.00 -0.40 4.39 2.35 -1.54 -3.43 115.58 118.89 2otj h ASN 20 Ca 0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.39 2otj h ASN 20 Cb 0.42 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 2otj h ASN 20 CO 0.00 0.18 1.19 0.54 -1.65 0.00 0.00 177.43 177.69 2otj n ARG 21 N -2.90 1.55 0.00 0.81 1.74 -1.26 -4.74 116.66 111.86 2otj n ARG 21 Ca -0.01 -2.38 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 2otj n ARG 21 Cb 0.03 -3.64 0.00 0.00 -1.02 0.00 0.00 32.46 27.83 2otj n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2otj n ARG 22 N 8.13 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.67 2otj n ARG 22 Ca 0.45 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2otj n ARG 22 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 2otj n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2otj n GLY 23 N 5.00 1.29 0.14 -0.13 0.00 -1.26 -4.93 105.19 105.30 2otj n GLY 23 Ca 0.00 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.33 2otj n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj n ALA 24 N -3.00 1.27 -0.05 4.61 0.00 -1.26 -2.61 120.51 119.47 2otj n ALA 24 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 2otj n ALA 24 Cb 0.00 -1.32 0.22 0.00 0.00 0.00 0.00 19.45 18.35 2otj n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2otj h GLY 25 N 0.83 0.69 2.00 0.00 0.00 -1.92 0.13 103.07 104.81 2otj h GLY 25 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 2otj h GLY 25 CO 0.00 0.42 -0.19 0.84 0.00 0.00 0.00 176.54 177.62 2otj h HIS 26 N 0.60 0.00 0.00 5.60 6.17 -1.80 -1.19 115.15 124.53 2otj h HIS 26 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.20 2otj h HIS 26 Cb 0.44 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.37 2otj h HIS 26 CO 0.02 0.19 -0.58 0.54 0.71 0.00 0.00 177.93 178.80 2otj n ARG 27 N -3.98 0.12 -1.00 5.26 1.74 -0.75 -4.94 116.66 113.12 2otj n ARG 27 Ca -0.02 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2otj n ARG 27 Cb 0.27 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2otj n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2otj n GLY 28 N 1.43 0.59 0.00 -0.13 0.00 -0.45 -4.89 105.19 101.75 2otj n GLY 28 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2otj n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 29 N -2.24 2.90 3.74 -0.02 0.00 0.36 -4.69 105.19 105.24 2otj n GLY 29 Ca 0.00 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 2otj n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otj s ARG 30 N -3.38 4.37 7.29 1.61 3.00 -1.26 -4.60 118.95 125.97 2otj s ARG 30 Ca 0.00 2.11 0.00 0.00 0.00 0.00 0.00 55.73 57.84 2otj s ARG 30 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 34.95 31.78 2otj s ARG 30 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.30 175.44 2otj n GLY 31 N 2.20 3.73 1.73 -3.53 0.00 -1.26 -2.25 105.19 105.81 2otj n GLY 31 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2otj n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2otj n ASP 32 N 5.76 3.84 -4.76 1.61 8.00 -1.26 -4.97 116.55 124.77 2otj n ASP 32 Ca 0.00 -2.94 -0.41 0.00 0.71 0.00 0.00 54.79 52.15 2otj n ASP 32 Cb 0.00 -0.74 -0.01 0.00 -0.02 0.00 0.00 41.12 40.35 2otj n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otj s ALA 33 N -1.89 3.67 -0.49 2.24 0.00 -0.95 -2.51 121.76 121.83 2otj s ALA 33 Ca 0.33 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2otj s ALA 33 Cb 0.27 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2otj s ALA 33 CO 0.05 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.24 2otj n GLY 34 N 1.52 0.73 0.00 0.00 0.00 -1.26 -4.79 105.19 101.38 2otj n GLY 34 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2otj n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2otj n ARG 35 N -2.56 0.00 0.00 1.61 -4.01 -1.05 -0.95 116.66 109.70 2otj n ARG 35 Ca -0.05 0.21 0.00 0.00 -1.04 0.00 0.00 57.85 56.97 2otj n ARG 35 Cb 0.19 -1.51 0.00 0.00 -3.04 0.00 0.00 32.46 28.10 2otj n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2otj n ASP 36 N -1.19 0.65 0.00 2.89 5.75 -1.26 -4.02 116.55 119.36 2otj n ASP 36 Ca 0.00 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 2otj n ASP 36 Cb 0.01 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2otj n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2otj n LYS 37 N -0.14 0.00 0.26 0.11 4.76 -0.12 -4.81 118.16 118.22 2otj n LYS 37 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 2otj n LYS 37 Cb 0.36 0.00 0.71 0.00 -1.84 0.00 0.00 35.03 34.25 2otj n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 2otj h HIS 38 N 0.00 0.00 -0.72 2.13 2.07 -1.94 -3.17 115.15 113.52 2otj h HIS 38 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 2otj h HIS 38 Cb 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 27.41 29.56 2otj h HIS 38 CO 0.00 0.11 -0.87 0.39 -3.07 0.00 0.00 177.93 174.48 2otj n GLU 39 N -3.39 3.25 0.25 5.12 1.02 -0.83 -4.81 120.64 121.25 2otj n GLU 39 Ca -0.01 -4.06 0.13 0.00 -0.02 0.00 0.00 57.16 53.21 2otj n GLU 39 Cb 0.28 -2.15 0.63 0.00 -0.02 0.00 0.00 31.44 30.19 2otj n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2otj h PHE 40 N 2.28 0.00 -2.81 -0.32 -5.15 -1.59 -3.40 116.94 105.96 2otj h PHE 40 Ca 0.27 0.00 -0.58 0.00 -0.20 0.00 0.00 57.97 57.46 2otj h PHE 40 Cb 1.46 0.00 0.09 0.00 0.22 0.00 0.00 35.95 37.72 2otj h PHE 40 CO 0.78 0.12 0.56 0.72 -2.00 0.00 0.00 178.31 178.49 2otj n HIS 41 N -3.34 2.13 -3.38 6.09 -0.00 -1.26 -2.88 115.22 112.57 2otj n HIS 41 Ca -0.00 0.48 -0.25 0.00 -0.00 0.00 0.00 57.72 57.95 2otj n HIS 41 Cb 0.33 -2.44 0.02 0.00 -0.00 0.00 0.00 29.99 27.91 2otj n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2otj n ASN 42 N 1.77 -5.05 -4.32 0.41 5.03 -1.26 -4.98 115.26 106.86 2otj n ASN 42 Ca 0.10 -0.45 -0.32 0.00 0.87 0.00 0.00 54.58 54.78 2otj n ASN 42 Cb 0.32 -4.08 -0.16 0.00 -1.02 0.00 0.00 39.78 34.85 2otj n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2otj s HIS 43 N -3.13 2.53 0.27 3.10 3.76 -1.14 -5.09 115.29 115.59 2otj s HIS 43 Ca 0.44 -0.59 -0.30 0.00 -0.15 0.00 0.00 55.06 54.47 2otj s HIS 43 Cb -0.22 -1.63 -0.10 0.00 1.11 0.00 0.00 32.58 31.74 2otj s HIS 43 CO 0.54 -0.13 1.47 -1.21 -0.85 0.00 0.00 174.74 174.57 2otj s GLU 44 N -0.23 4.23 0.79 1.40 2.02 -1.26 -4.92 118.70 120.72 2otj s GLU 44 Ca -0.01 2.37 -0.15 0.00 0.02 0.00 0.00 54.97 57.20 2otj s GLU 44 Cb -0.13 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 2otj s GLU 44 CO 0.03 -0.47 0.48 -0.35 0.02 0.00 0.00 175.26 174.97 2otj n PRO 45 N 2.18 0.14 -1.55 0.39 -0.04 -1.26 -4.99 135.00 129.86 2otj n PRO 45 Ca 0.07 0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 63.30 2otj n PRO 45 Cb 0.40 -1.83 0.05 0.00 -0.04 0.00 0.00 33.50 32.08 2otj n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2otj s LEU 46 N -0.33 3.15 0.00 1.53 1.43 -1.26 -4.99 118.68 118.20 2otj s LEU 46 Ca 0.63 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2otj s LEU 46 Cb -0.31 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.41 2otj s LEU 46 CO 0.61 -1.53 0.00 0.61 0.23 0.00 0.00 176.35 176.27 2otj n GLY 47 N -1.74 2.76 3.75 -3.19 0.00 -1.26 -5.08 105.19 100.43 2otj n GLY 47 Ca 0.08 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2otj n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2otj s LYS 48 N -2.15 2.90 -0.09 1.61 1.02 -1.26 -5.12 119.74 116.65 2otj s LYS 48 Ca 0.00 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.34 2otj s LYS 48 Cb 0.00 -2.74 0.05 0.00 -0.52 0.00 0.00 37.83 34.61 2otj s LYS 48 CO 0.00 0.60 0.18 0.45 -0.92 0.00 0.00 175.35 175.66 2otj s SER 49 N -1.99 0.35 0.83 2.83 0.15 -1.26 -5.13 113.70 109.48 2otj s SER 49 Ca 0.25 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2otj s SER 49 Cb -0.12 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2otj s SER 49 CO 0.17 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2otj n GLY 50 N 4.89 0.12 3.33 9.45 0.00 -1.26 -5.00 105.19 116.73 2otj n GLY 50 Ca -0.13 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 2otj n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2otj s PHE 51 N 0.00 1.40 0.03 1.61 -0.00 -1.26 -5.17 117.98 114.58 2otj s PHE 51 Ca 0.00 -1.47 0.04 0.00 -0.00 0.00 0.00 56.93 55.50 2otj s PHE 51 Cb 0.00 -0.48 -0.02 0.00 -0.00 0.00 0.00 43.02 42.52 2otj s PHE 51 CO 0.00 -0.90 -0.11 0.15 -0.00 0.00 0.00 175.22 174.36 2otj s LYS 52 N -3.52 0.78 0.10 1.99 1.02 -1.26 -5.15 119.74 113.70 2otj s LYS 52 Ca 0.37 -0.64 -0.07 0.00 0.02 0.00 0.00 55.97 55.65 2otj s LYS 52 Cb 0.02 -0.73 -0.05 0.00 -0.52 0.00 0.00 37.83 36.55 2otj s LYS 52 CO 0.22 0.18 0.36 1.03 -0.92 0.00 0.00 175.35 176.22 2otj s ARG 53 N -0.99 3.66 0.14 1.68 0.52 -1.26 -5.03 118.95 117.68 2otj s ARG 53 Ca -0.00 0.00 -0.34 0.00 -0.52 0.00 0.00 55.73 54.87 2otj s ARG 53 Cb -0.07 -2.94 -0.14 0.00 0.52 0.00 0.00 34.95 32.31 2otj s ARG 53 CO 0.01 0.53 1.52 -0.35 0.02 0.00 0.00 175.30 177.03 2otj n PRO 54 N 0.55 1.93 -0.31 3.54 -0.04 -1.26 -4.86 135.00 134.55 2otj n PRO 54 Ca -0.06 0.69 0.31 0.00 -0.04 0.00 0.00 63.50 64.41 2otj n PRO 54 Cb 0.52 -2.44 0.68 0.00 -0.04 0.00 0.00 33.50 32.23 2otj n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2otj h GLN 55 N 5.61 0.10 -0.21 0.54 4.20 -1.96 0.10 115.11 123.49 2otj h GLN 55 Ca -0.45 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2otj h GLN 55 Cb 1.27 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2otj h GLN 55 CO 0.86 0.07 0.00 0.36 -0.67 0.00 0.00 178.83 179.45 2otj n LYS 56 N -4.31 1.49 0.00 1.46 2.85 -1.26 -2.77 118.16 115.61 2otj n LYS 56 Ca 0.25 -0.76 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 2otj n LYS 56 Cb 1.12 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 34.33 2otj n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2otj n VAL 57 N 0.12 0.89 -3.82 0.58 0.31 0.02 -4.99 118.33 111.44 2otj n VAL 57 Ca 0.07 -0.92 -0.36 0.00 -0.01 0.00 0.00 64.34 63.12 2otj n VAL 57 Cb 0.18 0.56 -0.12 0.00 -0.91 0.00 0.00 33.84 33.55 2otj n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2otj s GLN 58 N -0.89 3.76 -0.03 5.55 -0.21 -1.12 -4.98 119.66 121.75 2otj s GLN 58 Ca 0.00 -0.43 -0.10 0.00 0.02 0.00 0.00 55.36 54.85 2otj s GLN 58 Cb 0.00 -3.33 -0.05 0.00 1.00 0.00 0.00 33.01 30.63 2otj s GLN 58 CO 0.00 -0.07 0.29 -1.21 -2.12 0.00 0.00 175.29 172.18 2otj s GLU 59 N 1.31 3.67 -0.30 2.91 2.02 -1.26 -5.03 118.70 122.01 2otj s GLU 59 Ca 0.05 0.09 0.03 0.00 0.02 0.00 0.00 54.97 55.17 2otj s GLU 59 Cb -0.15 -3.15 0.08 0.00 0.10 0.00 0.00 34.13 31.02 2otj s GLU 59 CO 0.04 0.69 -0.02 -2.00 0.02 0.00 0.00 175.26 173.99 2otj s GLU 60 N -1.34 1.81 0.02 1.61 2.12 -1.26 -5.01 118.70 116.66 2otj s GLU 60 Ca 0.23 -1.60 -0.22 0.00 0.36 0.00 0.00 54.97 53.74 2otj s GLU 60 Cb -0.14 -3.03 -0.06 0.00 0.26 0.00 0.00 34.13 31.17 2otj s GLU 60 CO 0.12 -0.76 0.64 0.00 -0.54 0.00 0.00 175.26 174.72 2otj s ALA 61 N 1.02 3.46 -0.30 6.30 0.00 -1.26 -0.33 121.76 130.65 2otj s ALA 61 Ca 0.01 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 2otj s ALA 61 Cb -0.19 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.12 2otj s ALA 61 CO -0.07 0.16 0.73 0.00 0.00 0.00 0.00 175.76 176.58 2otj s ALA 62 N -0.25 3.54 0.36 0.00 0.00 0.14 -4.93 121.76 120.62 2otj s ALA 62 Ca 0.33 -0.48 0.07 0.00 0.00 0.00 0.00 51.96 51.88 2otj s ALA 62 Cb -0.19 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2otj s ALA 62 CO 0.19 -1.12 0.42 0.95 0.00 0.00 0.00 175.76 176.20 2otj s THR 63 N 2.81 3.49 -0.28 0.00 -4.23 -1.26 -0.88 115.64 115.29 2otj s THR 63 Ca 0.30 -1.16 -0.20 0.00 -1.18 0.00 0.00 61.69 59.45 2otj s THR 63 Cb -0.14 -3.20 0.11 0.00 1.34 0.00 0.00 72.50 70.61 2otj s THR 63 CO 0.12 -0.11 0.89 -0.51 -0.54 0.00 0.00 174.62 174.47 2otj s ILE 64 N -2.29 0.00 0.22 2.99 2.07 -0.89 -4.93 121.20 118.37 2otj s ILE 64 Ca 0.46 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.54 2otj s ILE 64 Cb -0.08 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.44 2otj s ILE 64 CO 0.30 0.00 0.66 -1.81 -1.91 0.00 0.00 174.94 172.17 2otj s ASP 65 N 0.96 6.88 0.44 4.50 1.01 -1.26 0.53 116.67 129.72 2otj s ASP 65 Ca -0.04 1.23 0.18 0.00 0.71 0.00 0.00 52.55 54.63 2otj s ASP 65 Cb -0.05 -2.35 1.11 0.00 1.01 0.00 0.00 42.92 42.65 2otj s ASP 65 CO -0.11 -0.01 1.91 -0.37 0.21 0.00 0.00 175.17 176.79 2otj h VAL 66 N 2.50 0.75 -0.86 -1.27 -1.51 -1.15 -1.10 116.25 113.60 2otj h VAL 66 Ca -0.48 -0.12 0.13 0.00 -1.23 0.00 0.00 66.70 65.00 2otj h VAL 66 Cb 1.19 0.36 -0.09 0.00 -2.13 0.00 0.00 31.29 30.61 2otj h VAL 66 CO 0.66 0.07 0.48 -0.09 -1.23 0.00 0.00 177.57 177.45 2otj h ARG 67 N 0.36 0.70 -0.24 5.19 2.43 -1.60 0.20 114.38 121.43 2otj h ARG 67 Ca 0.39 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.48 2otj h ARG 67 Cb 1.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2otj h ARG 67 CO -0.12 0.46 -0.02 1.49 -1.51 0.00 0.00 179.97 180.27 2otj h GLU 68 N 0.72 0.44 0.63 0.20 4.81 -1.48 -0.45 114.58 119.44 2otj h GLU 68 Ca 0.45 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 2otj h GLU 68 Cb 0.56 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.91 2otj h GLU 68 CO -0.32 0.64 -0.30 0.82 -0.73 0.00 0.00 179.01 179.12 2otj h ILE 69 N 0.19 0.38 -0.77 2.32 2.04 -1.33 -3.07 117.51 117.27 2otj h ILE 69 Ca 0.06 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.98 2otj h ILE 69 Cb 0.45 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 2otj h ILE 69 CO 0.02 0.00 0.44 -0.78 0.00 0.00 0.00 178.15 177.83 2otj h ASP 70 N -0.86 0.65 0.53 1.72 3.58 -0.63 -1.77 116.42 119.64 2otj h ASP 70 Ca -0.09 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2otj h ASP 70 Cb 0.65 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2otj h ASP 70 CO 0.14 0.40 0.00 -0.33 -2.88 0.00 0.00 179.24 176.57 2otj h GLU 71 N 0.78 0.00 0.00 0.28 5.08 -1.04 -3.16 114.58 116.51 2otj h GLU 71 Ca 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2otj h GLU 71 Cb 0.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2otj h GLU 71 CO -0.21 0.00 -0.44 0.09 -1.00 0.00 0.00 179.01 177.45 2otj n ASN 72 N -2.57 1.70 -0.01 1.42 3.02 -0.68 -4.84 115.26 113.29 2otj n ASN 72 Ca 0.00 -3.37 -0.13 0.00 -0.03 0.00 0.00 54.58 51.05 2otj n ASN 72 Cb 0.18 -0.46 -0.09 0.00 -0.61 0.00 0.00 39.78 38.81 2otj n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2otj h VAL 73 N 1.77 1.30 -0.21 2.41 -1.51 -1.47 -0.58 116.25 117.96 2otj h VAL 73 Ca -0.03 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 2otj h VAL 73 Cb 1.13 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 32.12 2otj h VAL 73 CO 0.01 0.25 0.14 0.71 -1.23 0.00 0.00 177.57 177.45 2otj h THR 74 N -0.28 1.05 0.01 7.19 1.35 -1.88 -1.41 112.91 118.94 2otj h THR 74 Ca 0.01 -0.10 -0.20 0.00 -0.55 0.00 0.00 66.41 65.57 2otj h THR 74 Cb 0.40 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 2otj h THR 74 CO 0.00 0.05 -0.91 -0.07 -0.25 0.00 0.00 175.52 174.35 2otj h LEU 75 N 0.28 0.16 -3.62 3.87 3.38 -1.88 -3.24 115.31 114.26 2otj h LEU 75 Ca 0.08 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2otj h LEU 75 Cb -0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2otj h LEU 75 CO -0.02 0.98 -0.01 0.18 0.09 0.00 0.00 178.44 179.67 2otj n LEU 76 N -3.58 5.65 0.29 1.67 4.77 -0.24 -4.45 117.00 121.12 2otj n LEU 76 Ca -0.03 -3.04 0.19 0.00 -0.03 0.00 0.00 56.01 53.11 2otj n LEU 76 Cb 0.84 -1.23 0.97 0.00 -2.33 0.00 0.00 43.42 41.67 2otj n LEU 76 CO 0.47 1.37 1.07 0.00 -1.33 0.00 0.00 177.39 178.98 2otj h ALA 77 N 2.01 1.00 0.00 -1.18 0.00 -1.64 -1.99 119.26 117.47 2otj h ALA 77 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2otj h ALA 77 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2otj h ALA 77 CO 0.32 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2otj n ALA 78 N -2.02 2.30 -2.30 0.00 0.00 -1.26 -4.76 120.51 112.47 2otj n ALA 78 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 2otj n ALA 78 Cb 0.12 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 2otj n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2otj s ASP 79 N -0.44 1.28 0.29 0.00 1.01 -0.75 -5.14 116.67 112.91 2otj s ASP 79 Ca 0.00 -1.32 -0.30 0.00 0.71 0.00 0.00 52.55 51.64 2otj s ASP 79 Cb 0.00 0.13 -0.13 0.00 1.01 0.00 0.00 42.92 43.93 2otj s ASP 79 CO 0.00 -0.67 1.35 0.47 0.21 0.00 0.00 175.17 176.53 2otj n ASP 80 N -0.42 2.75 -3.76 0.27 9.92 -1.21 -4.97 116.55 119.13 2otj n ASP 80 Ca -0.02 1.17 -0.29 0.00 -0.53 0.00 0.00 54.79 55.12 2otj n ASP 80 Cb 0.65 -1.45 -0.13 0.00 -0.64 0.00 0.00 41.12 39.55 2otj n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2otj s VAL 81 N -0.53 1.82 0.00 2.53 1.01 -1.26 -1.80 120.40 122.16 2otj s VAL 81 Ca 0.62 -3.07 0.00 0.00 0.00 0.00 0.00 61.98 59.54 2otj s VAL 81 Cb -0.61 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2otj s VAL 81 CO 0.55 -0.94 0.00 0.00 0.00 0.00 0.00 175.10 174.72 2otj n ALA 82 N 3.06 0.00 0.00 5.51 0.00 -1.26 -4.76 120.51 123.06 2otj n ALA 82 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2otj n ALA 82 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2otj n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2otj n GLU 83 N 0.00 0.00 -1.60 0.00 0.28 -1.26 -4.99 120.64 113.07 2otj n GLU 83 Ca 0.00 0.16 -0.50 0.00 -0.16 0.00 0.00 57.16 56.67 2otj n GLU 83 Cb 0.00 -1.55 -0.06 0.00 1.43 0.00 0.00 31.44 31.27 2otj n GLU 83 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2otj n PHE 89 N -1.10 2.02 -4.04 -1.84 3.01 -1.23 -5.10 117.46 109.19 2otj n PHE 89 Ca 0.00 0.15 -0.29 0.00 1.01 0.00 0.00 57.45 58.32 2otj n PHE 89 Cb 0.05 -2.60 -0.17 0.00 -0.01 0.00 0.00 39.48 36.75 2otj n PHE 89 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2otj s ARG 90 N 4.93 2.02 -0.02 -1.08 3.52 -0.75 -1.50 118.95 126.07 2otj s ARG 90 Ca 1.00 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 2otj s ARG 90 Cb -0.76 -1.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.74 2otj s ARG 90 CO 0.51 -0.22 -0.06 0.54 -0.81 0.00 0.00 175.30 175.26 2otj s VAL 91 N 1.49 0.57 -0.59 7.11 0.11 -0.31 -3.34 120.40 125.44 2otj s VAL 91 Ca 0.03 -0.23 -0.23 0.00 -2.93 0.00 0.00 61.98 58.62 2otj s VAL 91 Cb -0.13 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.24 2otj s VAL 91 CO -0.09 0.19 0.94 -0.62 -3.33 0.00 0.00 175.10 172.20 2otj s ASP 92 N 0.33 6.27 0.45 3.54 -1.08 -1.26 -1.53 116.67 123.39 2otj s ASP 92 Ca -0.04 -0.58 0.22 0.00 -0.52 0.00 0.00 52.55 51.62 2otj s ASP 92 Cb -0.08 -2.43 1.20 0.00 -1.46 0.00 0.00 42.92 40.15 2otj s ASP 92 CO 0.00 -1.30 1.84 0.58 0.52 0.00 0.00 175.17 176.81 2otj h VAL 93 N 6.00 0.60 -0.41 1.11 2.07 -1.12 -0.94 116.25 123.56 2otj h VAL 93 Ca -0.27 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.22 2otj h VAL 93 Cb 1.07 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2otj h VAL 93 CO 1.12 0.05 0.28 0.03 0.02 0.00 0.00 177.57 179.07 2otj h ARG 94 N 0.30 0.23 0.00 1.57 3.08 -1.92 0.22 114.38 117.86 2otj h ARG 94 Ca 0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.53 2otj h ARG 94 Cb 1.43 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2otj h ARG 94 CO -0.16 0.15 -0.21 -0.25 -1.07 0.00 0.00 179.97 178.43 2otj n ASP 95 N -4.47 0.32 -0.08 7.04 8.00 -0.36 -4.25 116.55 122.75 2otj n ASP 95 Ca 0.06 0.25 -0.10 0.00 0.71 0.00 0.00 54.79 55.70 2otj n ASP 95 Cb 0.31 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 2otj n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2otj n VAL 96 N -1.66 1.46 -1.73 2.53 0.31 0.69 -4.96 118.33 114.96 2otj n VAL 96 Ca 0.06 0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 64.10 2otj n VAL 96 Cb 0.36 -2.28 -0.02 0.00 -0.91 0.00 0.00 33.84 30.99 2otj n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2otj n VAL 97 N -4.54 0.63 -2.45 2.52 0.31 -0.70 -5.01 118.33 109.08 2otj n VAL 97 Ca -0.16 -0.16 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 2otj n VAL 97 Cb 0.41 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.40 2otj n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2otj s GLU 98 N 0.13 3.66 -1.76 5.55 2.02 -1.26 -3.81 118.70 123.24 2otj s GLU 98 Ca 0.69 0.51 0.00 0.00 0.02 0.00 0.00 54.97 56.18 2otj s GLU 98 Cb -0.51 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.45 2otj s GLU 98 CO 0.43 -0.27 0.00 0.39 0.02 0.00 0.00 175.26 175.83 2otj n GLU 99 N -2.07 -1.56 -0.27 1.61 1.02 -1.26 -4.87 120.64 113.24 2otj n GLU 99 Ca 0.03 1.00 0.08 0.00 -0.02 0.00 0.00 57.16 58.24 2otj n GLU 99 Cb 0.54 -5.57 0.22 0.00 -0.02 0.00 0.00 31.44 26.62 2otj n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2otj n ALA 100 N -1.50 2.49 -0.07 0.62 0.00 -1.25 -3.71 120.51 117.08 2otj n ALA 100 Ca -0.23 -0.88 -0.07 0.00 0.00 0.00 0.00 53.44 52.26 2otj n ALA 100 Cb 0.68 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 2otj n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2otj n ASP 101 N 0.90 1.62 0.32 0.00 8.00 -1.26 -4.41 116.55 121.72 2otj n ASP 101 Ca 0.16 0.34 0.21 0.00 0.71 0.00 0.00 54.79 56.22 2otj n ASP 101 Cb 0.44 -0.73 1.06 0.00 -0.02 0.00 0.00 41.12 41.87 2otj n ASP 101 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2otj h ASP 102 N -0.85 0.00 -4.08 -2.24 2.03 -1.99 -3.43 116.42 105.86 2otj h ASP 102 Ca 0.00 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 2otj h ASP 102 Cb 0.76 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.29 2otj h ASP 102 CO 0.00 0.01 0.40 0.00 -1.03 0.00 0.00 179.24 178.61 2otj s ALA 103 N -4.05 2.82 0.20 4.15 0.00 -1.24 -4.96 121.76 118.68 2otj s ALA 103 Ca -0.03 0.66 0.16 0.00 0.00 0.00 0.00 51.96 52.74 2otj s ALA 103 Cb 0.12 -3.28 0.58 0.00 0.00 0.00 0.00 23.12 20.54 2otj s ALA 103 CO 0.46 -0.44 1.70 0.22 0.00 0.00 0.00 175.76 177.69 2otj h ASP 104 N 1.43 0.00 -5.60 0.00 1.82 -0.95 -3.48 116.42 109.64 2otj h ASP 104 Ca -0.50 0.00 0.31 0.00 -0.39 0.00 0.00 57.03 56.45 2otj h ASP 104 Cb 1.23 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 41.12 2otj h ASP 104 CO 0.58 0.45 0.81 -0.72 -1.61 0.00 0.00 179.24 178.75 2otj s TYR 105 N -3.62 -0.06 -0.18 0.28 -0.85 -1.26 -5.02 117.35 106.65 2otj s TYR 105 Ca -0.00 -0.05 -0.04 0.00 -0.52 0.00 0.00 57.07 56.45 2otj s TYR 105 Cb 0.12 0.55 -0.02 0.00 0.38 0.00 0.00 41.96 42.98 2otj s TYR 105 CO 0.71 -0.30 -0.03 0.08 -1.52 0.00 0.00 175.55 174.48 2otj s VAL 106 N -2.48 3.76 -0.08 -3.49 1.01 -1.26 0.27 120.40 118.13 2otj s VAL 106 Ca 0.14 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2otj s VAL 106 Cb 0.04 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2otj s VAL 106 CO -0.04 0.46 -0.21 -0.75 0.00 0.00 0.00 175.10 174.56 2otj s LYS 107 N 0.73 2.56 -0.26 2.72 2.20 -0.06 -2.01 119.74 125.63 2otj s LYS 107 Ca -0.02 -0.77 -0.15 0.00 -0.36 0.00 0.00 55.97 54.67 2otj s LYS 107 Cb -0.14 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.11 2otj s LYS 107 CO 0.02 0.20 0.38 0.08 -0.36 0.00 0.00 175.35 175.67 2otj s VAL 108 N 0.25 5.18 0.02 4.02 1.01 -0.03 -2.09 120.40 128.76 2otj s VAL 108 Ca -0.13 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 2otj s VAL 108 Cb -0.16 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2otj s VAL 108 CO 0.06 0.17 0.21 -0.76 0.00 0.00 0.00 175.10 174.79 2otj s LEU 109 N 1.92 4.36 -1.20 3.92 1.43 0.19 -2.19 118.68 127.11 2otj s LEU 109 Ca 0.16 0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.55 2otj s LEU 109 Cb -0.16 -2.78 0.22 0.00 0.03 0.00 0.00 46.19 43.50 2otj s LEU 109 CO 0.09 0.22 1.85 0.61 0.23 0.00 0.00 176.35 179.35 2otj n GLY 110 N 0.69 5.12 3.36 -3.19 0.00 -1.26 -0.98 105.19 108.93 2otj n GLY 110 Ca -0.08 -2.31 -0.32 0.00 0.00 0.00 0.00 46.02 43.31 2otj n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj s ALA 111 N -1.31 2.48 0.00 4.61 0.00 -1.26 -4.65 121.76 121.63 2otj s ALA 111 Ca 0.40 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2otj s ALA 111 Cb 0.11 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2otj s ALA 111 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.55 2otj n GLY 112 N 3.05 -2.02 3.92 0.00 0.00 -1.26 -2.06 105.19 106.82 2otj n GLY 112 Ca -0.18 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.68 2otj n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2otj s GLN 113 N -0.12 2.78 -0.36 1.61 -0.21 -1.26 -4.79 119.66 117.31 2otj s GLN 113 Ca 0.00 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.10 2otj s GLN 113 Cb 0.00 -2.58 0.11 0.00 1.00 0.00 0.00 33.01 31.54 2otj s GLN 113 CO 0.00 -0.06 0.15 0.08 -2.12 0.00 0.00 175.29 173.33 2otj s VAL 114 N -2.33 1.21 -0.35 1.09 1.01 -1.26 -4.27 120.40 115.50 2otj s VAL 114 Ca 0.47 -1.94 0.04 0.00 0.00 0.00 0.00 61.98 60.54 2otj s VAL 114 Cb -0.07 -1.89 0.36 0.00 0.00 0.00 0.00 36.38 34.78 2otj s VAL 114 CO 0.29 -0.76 1.36 0.54 0.00 0.00 0.00 175.10 176.53 2otj n ARG 115 N 4.28 2.04 -4.04 2.72 1.74 -1.26 -4.82 116.66 117.31 2otj n ARG 115 Ca 0.03 -1.53 -0.12 0.00 -0.77 0.00 0.00 57.85 55.46 2otj n ARG 115 Cb 0.39 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 2otj n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2otj s HIS 116 N -1.72 0.77 -0.42 -1.55 3.76 -1.26 -5.11 115.29 109.75 2otj s HIS 116 Ca 0.28 -1.08 -0.18 0.00 -0.15 0.00 0.00 55.06 53.93 2otj s HIS 116 Cb 0.23 0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.99 2otj s HIS 116 CO 0.06 -1.09 0.51 -1.21 -0.85 0.00 0.00 174.74 172.16 2otj s GLU 117 N -3.38 3.19 -0.08 1.40 2.02 -1.26 -4.76 118.70 115.83 2otj s GLU 117 Ca 0.27 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.70 2otj s GLU 117 Cb -0.00 -3.95 -0.01 0.00 0.10 0.00 0.00 34.13 30.26 2otj s GLU 117 CO 0.15 -0.89 -0.20 -0.51 0.02 0.00 0.00 175.26 173.84 2otj s LEU 118 N 2.38 2.37 -0.41 1.80 1.43 -1.26 -3.50 118.68 121.49 2otj s LEU 118 Ca 0.16 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2otj s LEU 118 Cb -0.16 -1.48 0.11 0.00 0.03 0.00 0.00 46.19 44.69 2otj s LEU 118 CO 0.15 0.23 0.16 -0.89 0.23 0.00 0.00 176.35 176.23 2otj s THR 119 N -0.03 2.75 -0.10 5.49 2.01 -0.56 -1.53 115.64 123.66 2otj s THR 119 Ca -0.06 -2.44 -0.10 0.00 0.31 0.00 0.00 61.69 59.40 2otj s THR 119 Cb -0.15 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 2otj s THR 119 CO 0.05 -0.68 0.22 -0.76 -0.69 0.00 0.00 174.62 172.75 2otj s LEU 120 N 0.73 4.38 -0.23 4.42 1.43 -0.58 -1.16 118.68 127.67 2otj s LEU 120 Ca 0.11 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2otj s LEU 120 Cb -0.21 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 43.82 2otj s LEU 120 CO -0.05 0.34 -0.12 -0.63 0.23 0.00 0.00 176.35 176.11 2otj s ILE 121 N -0.76 2.38 0.31 -0.59 1.01 -0.58 0.79 121.20 123.75 2otj s ILE 121 Ca 0.17 -1.21 -0.07 0.00 0.00 0.00 0.00 60.65 59.54 2otj s ILE 121 Cb -0.13 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.13 2otj s ILE 121 CO 0.06 0.23 0.49 0.00 0.00 0.00 0.00 174.94 175.72 2otj s ALA 122 N 1.24 0.32 -0.28 9.38 0.00 -1.01 -0.42 121.76 130.99 2otj s ALA 122 Ca -0.01 -1.25 0.20 0.00 0.00 0.00 0.00 51.96 50.89 2otj s ALA 122 Cb -0.17 1.09 0.13 0.00 0.00 0.00 0.00 23.12 24.18 2otj s ALA 122 CO -0.07 -0.82 1.35 -0.44 0.00 0.00 0.00 175.76 175.77 2otj h ASP 123 N 2.17 0.00 -5.00 0.00 3.32 -1.72 -1.42 116.42 113.76 2otj h ASP 123 Ca -0.28 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 2otj h ASP 123 Cb 1.24 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.63 2otj h ASP 123 CO 0.39 0.20 0.19 -0.62 -1.72 0.00 0.00 179.24 177.68 2otj s ASP 124 N -6.03 -0.63 0.04 6.45 2.15 -1.01 -4.07 116.67 113.56 2otj s ASP 124 Ca 0.03 0.49 -0.00 0.00 0.43 0.00 0.00 52.55 53.50 2otj s ASP 124 Cb 0.07 0.56 -0.03 0.00 -0.30 0.00 0.00 42.92 43.22 2otj s ASP 124 CO 0.73 -0.72 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.62 2otj s PHE 125 N -1.98 0.41 0.32 -5.34 0.40 -1.26 -0.86 117.98 109.68 2otj s PHE 125 Ca -0.07 -0.80 -0.04 0.00 -0.60 0.00 0.00 56.93 55.42 2otj s PHE 125 Cb -0.00 -0.30 -0.05 0.00 0.51 0.00 0.00 43.02 43.18 2otj s PHE 125 CO 0.03 -0.28 0.57 -1.54 0.70 0.00 0.00 175.22 174.70 2otj s SER 126 N -2.22 6.39 0.32 1.36 1.04 -0.93 -4.94 113.70 114.72 2otj s SER 126 Ca -0.04 0.66 0.08 0.00 0.48 0.00 0.00 55.95 57.13 2otj s SER 126 Cb -0.01 -2.12 0.79 0.00 0.10 0.00 0.00 66.02 64.78 2otj s SER 126 CO -0.05 -0.25 1.79 -0.08 0.98 0.00 0.00 173.24 175.63 2otj h GLU 127 N 1.34 0.70 0.00 4.02 4.81 -2.00 0.10 114.58 123.55 2otj h GLU 127 Ca -0.48 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 58.56 2otj h GLU 127 Cb 1.20 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2otj h GLU 127 CO 0.65 0.46 -0.72 0.78 -0.73 0.00 0.00 179.01 179.45 2otj h GLY 128 N 0.72 0.00 1.15 1.92 0.00 -1.93 -2.53 103.07 102.40 2otj h GLY 128 Ca 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.82 2otj h GLY 128 CO -0.35 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.31 2otj h ALA 129 N 1.28 0.99 0.52 3.60 0.00 -1.10 -2.20 119.26 122.35 2otj h ALA 129 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2otj h ALA 129 Cb 1.37 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.92 2otj h ALA 129 CO 0.09 0.64 -0.25 0.00 0.00 0.00 0.00 179.25 179.74 2otj h ARG 130 N 0.98 -0.67 -0.98 0.00 3.08 -1.27 -2.25 114.38 113.28 2otj h ARG 130 Ca 0.20 0.05 0.24 0.00 0.07 0.00 0.00 59.98 60.53 2otj h ARG 130 Cb 0.41 0.15 -0.18 0.00 0.08 0.00 0.00 29.97 30.43 2otj h ARG 130 CO 0.01 -0.45 -0.09 0.39 -1.07 0.00 0.00 179.97 178.76 2otj n GLU 131 N -4.78 -0.08 -0.14 0.04 1.02 -0.96 0.40 120.64 116.14 2otj n GLU 131 Ca -0.09 1.49 -0.12 0.00 -0.02 0.00 0.00 57.16 58.42 2otj n GLU 131 Cb 0.28 -2.30 -0.00 0.00 -0.02 0.00 0.00 31.44 29.39 2otj n GLU 131 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2otj h LYS 132 N 0.00 0.96 -0.35 3.49 1.57 -1.45 0.01 116.57 120.80 2otj h LYS 132 Ca 0.54 -0.45 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2otj h LYS 132 Cb 1.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2otj h LYS 132 CO -0.96 1.12 -0.14 0.28 -0.57 0.00 0.00 179.45 179.19 2otj h VAL 133 N 0.81 1.28 -0.05 0.50 2.07 0.59 -2.89 116.25 118.56 2otj h VAL 133 Ca 0.09 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.25 2otj h VAL 133 Cb 0.87 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2otj h VAL 133 CO 0.08 0.40 -0.46 -0.33 0.02 0.00 0.00 177.57 177.29 2otj h GLU 134 N 0.49 0.39 -0.13 1.57 5.08 -0.73 -1.74 114.58 119.52 2otj h GLU 134 Ca 0.08 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2otj h GLU 134 Cb 0.66 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2otj h GLU 134 CO 0.04 1.02 0.22 0.78 -1.00 0.00 0.00 179.01 180.07 2otj h GLY 135 N -0.10 0.00 -3.55 -3.84 0.00 -1.03 0.40 103.07 94.95 2otj h GLY 135 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 2otj h GLY 135 CO 0.09 0.00 0.31 0.00 0.00 0.00 0.00 176.54 176.95 2otj n ALA 136 N -2.19 4.56 -2.86 3.60 0.00 -1.09 -4.91 120.51 117.63 2otj n ALA 136 Ca 0.00 -2.18 -0.08 0.00 0.00 0.00 0.00 53.44 51.19 2otj n ALA 136 Cb 0.32 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.54 2otj n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 137 N -0.25 -0.88 3.53 0.00 0.00 0.14 -4.10 105.19 103.63 2otj n GLY 137 Ca 0.40 0.39 -0.12 0.00 0.00 0.00 0.00 46.02 46.69 2otj n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2otj s GLY 138 N -3.13 1.09 0.06 -0.02 0.00 -0.66 -4.29 107.32 100.37 2otj s GLY 138 Ca 0.23 -1.26 0.05 0.00 0.00 0.00 0.00 44.72 43.74 2otj s GLY 138 CO 0.60 -0.84 -0.13 -1.35 0.00 0.00 0.00 173.10 171.38 2otj s SER 139 N -3.15 1.57 -0.25 1.64 1.04 -0.58 -3.84 113.70 110.12 2otj s SER 139 Ca 0.27 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 2otj s SER 139 Cb -0.01 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.07 2otj s SER 139 CO 0.16 -0.07 -0.02 -0.69 0.98 0.00 0.00 173.24 173.59 2otj s VAL 140 N -1.19 3.32 -0.33 5.02 1.01 -1.26 -1.53 120.40 125.44 2otj s VAL 140 Ca -0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 2otj s VAL 140 Cb -0.09 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.69 2otj s VAL 140 CO 0.02 0.27 0.13 -1.61 0.00 0.00 0.00 175.10 173.91 2otj s GLU 141 N 1.43 2.92 0.15 2.72 2.02 0.24 -4.96 118.70 123.21 2otj s GLU 141 Ca 0.03 -0.99 -0.30 0.00 0.02 0.00 0.00 54.97 53.73 2otj s GLU 141 Cb -0.16 -3.51 -0.07 0.00 0.10 0.00 0.00 34.13 30.49 2otj s GLU 141 CO -0.03 -0.57 1.09 -1.17 0.02 0.00 0.00 175.26 174.61 2otj s LEU 142 N 1.50 4.47 0.91 1.80 2.96 -1.26 -2.39 118.68 126.67 2otj s LEU 142 Ca 0.01 2.03 -0.12 0.00 -0.22 0.00 0.00 54.13 55.84 2otj s LEU 142 Cb -0.18 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 43.05 2otj s LEU 142 CO 0.04 -0.24 1.11 -0.89 -1.32 0.00 0.00 176.35 175.06 2otj s THR 143 N -0.00 2.30 0.43 3.68 2.01 -0.53 -4.89 115.64 118.64 2otj s THR 143 Ca 0.50 0.10 0.13 0.00 0.31 0.00 0.00 61.69 62.74 2otj s THR 143 Cb -0.28 -2.75 0.17 0.00 0.01 0.00 0.00 72.50 69.65 2otj s THR 143 CO 0.33 -0.13 1.97 0.44 -0.69 0.00 0.00 174.62 176.54 2otj h ASP 144 N -1.54 0.04 -0.26 3.53 3.32 -1.96 -1.51 116.42 118.04 2otj h ASP 144 Ca -0.51 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.44 2otj h ASP 144 Cb 1.31 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 2otj h ASP 144 CO 0.59 0.23 -0.21 0.25 -1.72 0.00 0.00 179.24 178.38 2otj h LEU 145 N 0.04 0.64 0.00 1.55 6.46 -1.94 -2.62 115.31 119.43 2otj h LEU 145 Ca 0.01 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2otj h LEU 145 Cb 0.35 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2otj h LEU 145 CO 0.02 0.95 0.00 0.61 -0.62 0.00 0.00 178.44 179.41 2otj n GLY 146 N 0.10 -0.28 0.27 3.75 0.00 -0.59 -2.88 105.19 105.56 2otj n GLY 146 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2otj n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2otj n GLU 147 N -1.24 0.65 -0.98 1.61 1.02 -0.99 -3.65 120.64 117.07 2otj n GLU 147 Ca 0.01 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2otj n GLU 147 Cb 0.01 -1.17 0.11 0.00 -0.02 0.00 0.00 31.44 30.37 2otj n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2otj n GLU 148 N -0.14 2.03 -2.99 3.49 1.02 -1.14 -4.73 120.64 118.18 2otj n GLU 148 Ca 0.00 -2.31 -0.40 0.00 -0.02 0.00 0.00 57.16 54.42 2otj n GLU 148 Cb 0.09 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 2otj n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2otj n ARG 149 N -0.61 4.40 0.00 3.49 1.74 -1.24 -5.23 116.66 119.21 2otj n ARG 149 Ca 0.46 -4.60 0.00 0.00 -0.77 0.00 0.00 57.85 52.94 2otj n ARG 149 Cb 1.16 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2otj n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05