#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s SER 2 N 0.00 5.77 0.13 8.00 1.04 -1.26 -5.01 113.70 122.37 3cpw s SER 2 Ca 0.00 0.16 -0.22 0.00 0.48 0.00 0.00 55.95 56.37 3cpw s SER 2 Cb 0.00 -1.38 -0.02 0.00 0.10 0.00 0.00 66.02 64.72 3cpw s SER 2 CO 0.00 -0.73 1.67 0.50 0.98 0.00 0.00 173.24 175.67 3cpw h LYS 3 N 0.43 -0.16 -0.55 4.02 3.64 -2.07 -2.22 116.57 119.66 3cpw h LYS 3 Ca -0.45 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.05 3cpw h LYS 3 Cb 1.26 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 33.02 3cpw h LYS 3 CO 0.56 -0.10 -0.03 0.87 -2.27 0.00 0.00 179.45 178.48 3cpw h LYS 4 N -0.16 0.09 0.00 1.90 1.57 -2.02 0.29 116.57 118.24 3cpw h LYS 4 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3cpw h LYS 4 Cb 0.30 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3cpw h LYS 4 CO -0.23 0.06 0.00 1.17 -0.57 0.00 0.00 179.45 179.88 3cpw n LYS 5 N -5.28 0.09 0.00 3.15 3.00 -0.85 -1.88 118.16 116.39 3cpw n LYS 5 Ca 0.07 0.58 0.10 0.00 -0.00 0.00 0.00 58.31 59.05 3cpw n LYS 5 Cb 0.30 -1.78 0.01 0.00 0.00 0.00 0.00 35.03 33.56 3cpw n LYS 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3cpw n ARG 6 N -1.96 1.49 0.20 1.64 1.74 0.09 -4.58 116.66 115.28 3cpw n ARG 6 Ca -0.01 -1.05 0.08 0.00 -0.77 0.00 0.00 57.85 56.10 3cpw n ARG 6 Cb 0.03 -1.40 0.39 0.00 -1.02 0.00 0.00 32.46 30.46 3cpw n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3cpw h GLN 7 N 2.47 0.00 -6.15 5.56 1.08 -1.36 -3.44 115.11 113.27 3cpw h GLN 7 Ca 0.00 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.61 3cpw h GLN 7 Cb 0.70 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.14 3cpw h GLN 7 CO 0.00 0.30 1.34 0.54 -0.95 0.00 0.00 178.83 180.06 3cpw n ARG 8 N -3.45 2.18 0.00 1.46 5.12 -1.26 -0.30 116.66 120.41 3cpw n ARG 8 Ca 0.00 0.71 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 3cpw n ARG 8 Cb 0.48 -2.99 0.00 0.00 -1.16 0.00 0.00 32.46 28.79 3cpw n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cpw n GLY 9 N 5.26 2.27 0.19 -0.13 0.00 -1.26 -4.95 105.19 106.57 3cpw n GLY 9 Ca 0.27 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.43 3cpw n GLY 9 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cpw h SER 10 N 0.19 0.00 0.00 1.61 4.64 -0.95 -3.47 113.55 115.57 3cpw h SER 10 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cpw h SER 10 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3cpw h SER 10 CO 0.00 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.82 3cpw n ARG 11 N -2.69 0.00 0.00 4.77 0.63 -1.26 -4.23 116.66 113.88 3cpw n ARG 11 Ca 0.03 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.10 3cpw n ARG 11 Cb 0.37 0.00 0.49 0.00 0.45 0.00 0.00 32.46 33.77 3cpw n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3cpw n THR 12 N 0.00 0.00 -3.27 5.15 -2.24 -1.26 -4.95 114.28 107.71 3cpw n THR 12 Ca 0.00 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.41 3cpw n THR 12 Cb 0.00 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.52 3cpw n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3cpw n HIS 13 N -0.44 -1.73 -0.81 4.78 8.25 -1.26 -1.27 115.22 122.73 3cpw n HIS 13 Ca 0.15 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 3cpw n HIS 13 Cb 0.33 -2.76 0.00 0.00 1.12 0.00 0.00 29.99 28.68 3cpw n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cpw n GLY 14 N -1.09 0.72 0.17 -1.41 0.00 -1.26 -4.92 105.19 97.40 3cpw n GLY 14 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 3cpw n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 15 N -2.49 -0.76 5.54 -0.02 0.00 -0.39 -5.03 105.19 102.03 3cpw n GLY 15 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3cpw n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 16 N 1.21 0.16 3.59 -0.02 0.00 -1.26 -4.72 105.19 104.15 3cpw n GLY 16 Ca 0.17 -1.16 -0.46 0.00 0.00 0.00 0.00 46.02 44.57 3cpw n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cpw n SER 17 N 2.20 1.45 0.00 1.61 2.88 -1.26 -4.80 113.62 115.70 3cpw n SER 17 Ca 0.00 1.16 0.04 0.00 -1.33 0.00 0.00 58.87 58.74 3cpw n SER 17 Cb 0.00 -1.28 0.22 0.00 -0.75 0.00 0.00 64.21 62.40 3cpw n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cpw n HIS 18 N 0.84 0.00 1.13 0.66 -0.00 -1.26 -1.06 115.22 115.53 3cpw n HIS 18 Ca 0.12 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.95 3cpw n HIS 18 Cb 0.29 -0.17 0.36 0.00 -0.00 0.00 0.00 29.99 30.47 3cpw n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3cpw n LYS 19 N -1.17 1.83 -0.02 -1.40 5.02 -1.26 -4.53 118.16 116.63 3cpw n LYS 19 Ca 0.05 -1.25 -0.01 0.00 -2.02 0.00 0.00 58.31 55.09 3cpw n LYS 19 Cb 0.05 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3cpw n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3cpw h ASN 20 N 2.54 0.00 -0.55 4.39 2.35 -1.39 -3.43 115.58 119.48 3cpw h ASN 20 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 3cpw h ASN 20 Cb 0.56 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 3cpw h ASN 20 CO 0.00 0.16 0.71 -0.13 -1.65 0.00 0.00 177.43 176.51 3cpw s ARG 21 N -1.22 2.32 0.00 0.81 0.52 -1.26 -4.73 118.95 115.39 3cpw s ARG 21 Ca -0.02 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 3cpw s ARG 21 Cb 0.00 -5.08 0.00 0.00 0.52 0.00 0.00 34.95 30.39 3cpw s ARG 21 CO 0.03 -3.86 0.00 0.54 0.02 0.00 0.00 175.30 172.03 3cpw n ARG 22 N 8.62 0.00 0.00 3.54 1.74 -1.26 -5.13 116.66 124.16 3cpw n ARG 22 Ca 0.42 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3cpw n ARG 22 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 3cpw n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cpw n GLY 23 N 4.67 1.18 0.05 -0.13 0.00 -1.26 -4.90 105.19 104.80 3cpw n GLY 23 Ca 0.00 -1.87 0.03 0.00 0.00 0.00 0.00 46.02 44.18 3cpw n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw n ALA 24 N -3.00 0.95 0.05 4.61 0.00 -1.26 -1.75 120.51 120.11 3cpw n ALA 24 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 3cpw n ALA 24 Cb 0.00 -1.03 0.24 0.00 0.00 0.00 0.00 19.45 18.65 3cpw n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cpw h GLY 25 N 0.00 0.41 2.00 0.00 0.00 -1.91 0.39 103.07 103.96 3cpw h GLY 25 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3cpw h GLY 25 CO 0.00 0.30 0.00 1.57 0.00 0.00 0.00 176.54 178.41 3cpw n HIS 26 N -4.12 0.77 0.52 5.60 -0.00 -0.72 -2.02 115.22 115.25 3cpw n HIS 26 Ca -0.01 0.30 0.06 0.00 -0.00 0.00 0.00 57.72 58.08 3cpw n HIS 26 Cb 0.40 -0.99 0.05 0.00 -0.00 0.00 0.00 29.99 29.45 3cpw n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3cpw n ARG 27 N -2.20 0.86 -2.40 1.57 1.74 -0.87 -4.98 116.66 110.38 3cpw n ARG 27 Ca 0.02 -1.17 -0.06 0.00 -0.77 0.00 0.00 57.85 55.87 3cpw n ARG 27 Cb 0.23 -1.23 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 3cpw n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cpw n GLY 28 N 0.73 0.31 0.00 -0.13 0.00 -0.76 -4.85 105.19 100.49 3cpw n GLY 28 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3cpw n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 29 N -0.96 2.31 3.73 -0.02 0.00 0.13 -4.64 105.19 105.74 3cpw n GLY 29 Ca -0.04 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 3cpw n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cpw s ARG 30 N -2.99 4.55 7.53 1.61 3.00 -1.26 -4.66 118.95 126.72 3cpw s ARG 30 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 55.73 57.49 3cpw s ARG 30 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 34.95 31.67 3cpw s ARG 30 CO 0.00 -0.00 0.00 0.41 0.00 0.00 0.00 175.30 175.71 3cpw n GLY 31 N 2.21 3.33 1.03 -3.53 0.00 -1.26 -2.57 105.19 104.40 3cpw n GLY 31 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 3cpw n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cpw n ASP 32 N 4.42 2.60 -4.77 1.61 8.00 -1.26 -4.95 116.55 122.20 3cpw n ASP 32 Ca 0.00 -2.26 -0.41 0.00 0.71 0.00 0.00 54.79 52.83 3cpw n ASP 32 Cb 0.00 -0.55 0.01 0.00 -0.02 0.00 0.00 41.12 40.55 3cpw n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cpw n ALA 33 N 0.15 2.25 -0.99 2.24 0.00 -1.06 -2.58 120.51 120.51 3cpw n ALA 33 Ca 0.09 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3cpw n ALA 33 Cb 0.60 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3cpw n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 34 N 0.50 0.49 0.00 0.00 0.00 -1.26 -4.77 105.19 100.14 3cpw n GLY 34 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3cpw n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cpw n ARG 35 N -2.44 0.00 0.00 1.61 -4.01 -1.07 -0.13 116.66 110.62 3cpw n ARG 35 Ca 0.00 0.08 0.00 0.00 -1.04 0.00 0.00 57.85 56.89 3cpw n ARG 35 Cb 0.06 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 27.97 3cpw n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 3cpw n ASP 36 N -1.05 0.50 0.00 2.89 5.75 -1.26 -4.08 116.55 119.30 3cpw n ASP 36 Ca 0.00 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.72 3cpw n ASP 36 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3cpw n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3cpw n LYS 37 N -0.03 0.00 0.29 0.11 4.76 0.82 -4.79 118.16 119.32 3cpw n LYS 37 Ca 0.00 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.60 3cpw n LYS 37 Cb 0.18 0.00 0.86 0.00 -1.84 0.00 0.00 35.03 34.22 3cpw n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 3cpw h HIS 38 N 0.00 0.00 -0.41 2.13 2.07 -1.94 -3.05 115.15 113.95 3cpw h HIS 38 Ca 0.00 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.22 3cpw h HIS 38 Cb 0.00 0.00 -0.25 0.00 2.57 0.00 0.00 27.41 29.73 3cpw h HIS 38 CO 0.00 0.06 -0.70 0.39 -3.07 0.00 0.00 177.93 174.61 3cpw n GLU 39 N -3.52 2.65 0.06 5.12 1.02 -0.63 -4.79 120.64 120.55 3cpw n GLU 39 Ca -0.02 -3.75 0.02 0.00 -0.02 0.00 0.00 57.16 53.39 3cpw n GLU 39 Cb 0.18 -1.94 0.37 0.00 -0.02 0.00 0.00 31.44 30.03 3cpw n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3cpw h PHE 40 N 1.67 0.40 -1.07 -0.32 -5.15 -1.48 -3.40 116.94 107.59 3cpw h PHE 40 Ca 0.19 -0.03 -0.81 0.00 -0.20 0.00 0.00 57.97 57.12 3cpw h PHE 40 Cb 1.31 -0.12 0.04 0.00 0.22 0.00 0.00 35.95 37.40 3cpw h PHE 40 CO 0.79 0.41 0.31 0.72 -2.00 0.00 0.00 178.31 178.54 3cpw n HIS 41 N -4.32 1.09 -1.37 6.09 -0.00 -1.26 -2.07 115.22 113.38 3cpw n HIS 41 Ca 0.01 1.04 -0.13 0.00 -0.00 0.00 0.00 57.72 58.64 3cpw n HIS 41 Cb 0.22 -2.16 -0.05 0.00 -0.00 0.00 0.00 29.99 27.99 3cpw n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3cpw n ASN 42 N 2.46 -4.97 -4.90 0.41 5.03 -1.26 -5.01 115.26 107.02 3cpw n ASN 42 Ca 0.23 0.31 -0.32 0.00 0.87 0.00 0.00 54.58 55.68 3cpw n ASN 42 Cb 0.05 -3.59 -0.04 0.00 -1.02 0.00 0.00 39.78 35.18 3cpw n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3cpw s HIS 43 N -2.33 3.50 0.26 3.10 3.76 -0.88 -5.05 115.29 117.66 3cpw s HIS 43 Ca 0.00 0.26 -0.29 0.00 -0.15 0.00 0.00 55.06 54.88 3cpw s HIS 43 Cb 0.00 -1.77 -0.10 0.00 1.11 0.00 0.00 32.58 31.83 3cpw s HIS 43 CO 0.00 0.60 1.28 -1.21 -0.85 0.00 0.00 174.74 174.56 3cpw s GLU 44 N -2.35 4.41 0.96 1.40 2.02 -1.26 -4.94 118.70 118.94 3cpw s GLU 44 Ca 0.33 2.09 -0.13 0.00 0.02 0.00 0.00 54.97 57.28 3cpw s GLU 44 Cb -0.13 -3.14 0.06 0.00 0.10 0.00 0.00 34.13 31.02 3cpw s GLU 44 CO 0.25 -0.17 0.48 -0.35 0.02 0.00 0.00 175.26 175.50 3cpw n PRO 45 N 1.71 -0.46 -1.64 0.39 -0.04 -1.26 -4.97 135.00 128.73 3cpw n PRO 45 Ca 0.03 -0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 63.08 3cpw n PRO 45 Cb 0.43 -1.92 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 3cpw n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3cpw s LEU 46 N -1.95 3.21 0.00 1.53 1.43 -1.26 -5.01 118.68 116.63 3cpw s LEU 46 Ca 0.58 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 3cpw s LEU 46 Cb -0.21 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.50 3cpw s LEU 46 CO 0.66 -1.47 0.00 0.61 0.23 0.00 0.00 176.35 176.38 3cpw n GLY 47 N -1.61 3.53 3.92 -3.19 0.00 -1.26 -5.10 105.19 101.47 3cpw n GLY 47 Ca 0.08 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 3cpw n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cpw s LYS 48 N -2.82 3.28 -0.28 1.61 1.02 -1.26 -5.12 119.74 116.17 3cpw s LYS 48 Ca 0.00 -0.77 -0.17 0.00 0.02 0.00 0.00 55.97 55.05 3cpw s LYS 48 Cb 0.00 -2.83 0.08 0.00 -0.52 0.00 0.00 37.83 34.56 3cpw s LYS 48 CO 0.00 0.46 0.69 0.45 -0.92 0.00 0.00 175.35 176.03 3cpw s SER 49 N -3.62 -0.92 0.87 2.83 0.15 -1.26 -5.14 113.70 106.61 3cpw s SER 49 Ca 0.34 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.48 3cpw s SER 49 Cb -0.10 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 3cpw s SER 49 CO 0.27 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.08 3cpw n GLY 50 N 4.18 0.67 3.66 9.45 0.00 -1.26 -4.99 105.19 116.90 3cpw n GLY 50 Ca -0.20 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 3cpw n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cpw s PHE 51 N 0.00 0.49 0.03 1.61 -0.12 -1.26 -5.17 117.98 113.56 3cpw s PHE 51 Ca 0.00 -0.94 0.04 0.00 -0.05 0.00 0.00 56.93 55.98 3cpw s PHE 51 Cb 0.00 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.77 3cpw s PHE 51 CO 0.00 -1.31 -0.13 0.15 -0.05 0.00 0.00 175.22 173.88 3cpw s LYS 52 N -2.91 0.87 0.18 1.99 1.02 -1.26 -5.15 119.74 114.48 3cpw s LYS 52 Ca 0.22 -0.66 -0.05 0.00 0.02 0.00 0.00 55.97 55.50 3cpw s LYS 52 Cb -0.03 -0.85 -0.06 0.00 -0.52 0.00 0.00 37.83 36.38 3cpw s LYS 52 CO 0.14 0.21 0.42 1.03 -0.92 0.00 0.00 175.35 176.24 3cpw s ARG 53 N -0.95 3.63 0.04 1.68 0.52 -1.26 -5.01 118.95 117.59 3cpw s ARG 53 Ca 0.01 -0.07 -0.35 0.00 -0.52 0.00 0.00 55.73 54.81 3cpw s ARG 53 Cb -0.07 -2.79 -0.14 0.00 0.52 0.00 0.00 34.95 32.47 3cpw s ARG 53 CO 0.01 0.40 1.65 -0.35 0.02 0.00 0.00 175.30 177.03 3cpw n PRO 54 N -0.18 1.93 -0.57 3.54 -0.04 -1.26 -4.81 135.00 133.61 3cpw n PRO 54 Ca -0.02 0.70 0.47 0.00 -0.04 0.00 0.00 63.50 64.61 3cpw n PRO 54 Cb 0.52 -2.47 0.78 0.00 -0.04 0.00 0.00 33.50 32.30 3cpw n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3cpw h GLN 55 N 6.86 0.00 -0.64 0.54 4.20 -1.97 0.36 115.11 124.45 3cpw h GLN 55 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3cpw h GLN 55 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3cpw h GLN 55 CO 0.90 0.00 0.00 0.36 -0.67 0.00 0.00 178.83 179.42 3cpw n LYS 56 N -3.95 3.55 -0.01 1.46 2.85 -1.26 -3.42 118.16 117.38 3cpw n LYS 56 Ca 0.38 -2.39 0.01 0.00 -1.05 0.00 0.00 58.31 55.26 3cpw n LYS 56 Cb 1.77 -1.90 0.01 0.00 -0.65 0.00 0.00 35.03 34.26 3cpw n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3cpw n VAL 57 N 0.73 0.85 -4.04 0.58 0.31 0.13 -5.02 118.33 111.87 3cpw n VAL 57 Ca 0.21 -0.87 -0.31 0.00 -0.01 0.00 0.00 64.34 63.36 3cpw n VAL 57 Cb 0.84 0.55 -0.06 0.00 -0.91 0.00 0.00 33.84 34.26 3cpw n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3cpw s GLN 58 N -0.91 2.94 -0.06 5.55 -0.21 -1.21 -4.97 119.66 120.79 3cpw s GLN 58 Ca 0.02 -0.66 0.05 0.00 0.02 0.00 0.00 55.36 54.79 3cpw s GLN 58 Cb 0.02 -2.76 -0.00 0.00 1.00 0.00 0.00 33.01 31.26 3cpw s GLN 58 CO 0.00 0.57 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.32 3cpw s GLU 59 N -2.38 2.35 -0.33 2.91 2.02 -1.26 -5.06 118.70 116.94 3cpw s GLU 59 Ca 0.30 -0.77 -0.06 0.00 0.02 0.00 0.00 54.97 54.45 3cpw s GLU 59 Cb -0.12 -1.94 0.04 0.00 0.10 0.00 0.00 34.13 32.20 3cpw s GLU 59 CO 0.22 0.28 0.10 -2.00 0.02 0.00 0.00 175.26 173.88 3cpw s GLU 60 N 0.05 2.67 0.03 1.61 2.12 -1.26 -4.99 118.70 118.92 3cpw s GLU 60 Ca -0.07 -1.14 -0.23 0.00 0.36 0.00 0.00 54.97 53.88 3cpw s GLU 60 Cb -0.14 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 3cpw s GLU 60 CO 0.04 -0.64 0.68 0.00 -0.54 0.00 0.00 175.26 174.81 3cpw s ALA 61 N 1.41 3.43 -0.30 6.30 0.00 -1.26 -0.52 121.76 130.81 3cpw s ALA 61 Ca -0.01 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 3cpw s ALA 61 Cb -0.19 -2.87 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 3cpw s ALA 61 CO 0.03 0.12 0.77 0.00 0.00 0.00 0.00 175.76 176.68 3cpw s ALA 62 N -0.16 3.54 0.30 0.00 0.00 0.83 -4.94 121.76 121.33 3cpw s ALA 62 Ca 0.35 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.96 3cpw s ALA 62 Cb -0.19 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3cpw s ALA 62 CO 0.20 -1.17 0.13 0.95 0.00 0.00 0.00 175.76 175.88 3cpw s THR 63 N 2.91 3.46 -0.27 0.00 -4.23 -1.26 -0.07 115.64 116.18 3cpw s THR 63 Ca 0.32 -1.66 -0.24 0.00 -1.18 0.00 0.00 61.69 58.93 3cpw s THR 63 Cb -0.14 -3.05 0.08 0.00 1.34 0.00 0.00 72.50 70.73 3cpw s THR 63 CO 0.12 -0.26 0.75 -0.51 -0.54 0.00 0.00 174.62 174.18 3cpw s ILE 64 N -2.33 0.00 0.12 2.99 2.07 -0.85 -4.94 121.20 118.26 3cpw s ILE 64 Ca 0.36 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.45 3cpw s ILE 64 Cb -0.05 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.47 3cpw s ILE 64 CO 0.23 0.00 0.53 -1.81 -1.91 0.00 0.00 174.94 171.98 3cpw s ASP 65 N 0.51 6.84 0.30 4.50 1.01 -1.26 -0.18 116.67 128.40 3cpw s ASP 65 Ca -0.01 1.07 0.07 0.00 0.71 0.00 0.00 52.55 54.39 3cpw s ASP 65 Cb -0.05 -2.29 0.78 0.00 1.01 0.00 0.00 42.92 42.38 3cpw s ASP 65 CO -0.02 0.15 1.74 -0.37 0.21 0.00 0.00 175.17 176.88 3cpw h VAL 66 N 2.96 0.61 -1.00 -1.27 -1.51 -1.40 0.14 116.25 114.78 3cpw h VAL 66 Ca -0.49 -0.21 0.21 0.00 -1.23 0.00 0.00 66.70 64.98 3cpw h VAL 66 Cb 1.20 -0.08 -0.11 0.00 -2.13 0.00 0.00 31.29 30.17 3cpw h VAL 66 CO 0.65 0.11 0.60 -0.09 -1.23 0.00 0.00 177.57 177.61 3cpw h ARG 67 N 0.63 0.66 0.26 5.19 2.43 -1.69 0.57 114.38 122.43 3cpw h ARG 67 Ca 0.59 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.71 3cpw h ARG 67 Cb 1.04 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3cpw h ARG 67 CO -0.44 0.44 -0.13 1.49 -1.51 0.00 0.00 179.97 179.82 3cpw h GLU 68 N 0.68 -0.34 0.03 0.20 4.81 -1.00 -1.62 114.58 117.33 3cpw h GLU 68 Ca 0.60 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.89 3cpw h GLU 68 Cb 1.03 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 3cpw h GLU 68 CO -0.42 -0.01 -0.31 0.82 -0.73 0.00 0.00 179.01 178.36 3cpw h ILE 69 N -0.73 0.33 -0.25 2.32 2.04 -1.05 -3.07 117.51 117.10 3cpw h ILE 69 Ca -0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3cpw h ILE 69 Cb 0.49 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3cpw h ILE 69 CO 0.06 0.00 0.10 -0.78 0.00 0.00 0.00 178.15 177.53 3cpw h ASP 70 N -0.47 0.13 0.00 1.72 3.58 0.04 -2.71 116.42 118.71 3cpw h ASP 70 Ca 0.06 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3cpw h ASP 70 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 3cpw h ASP 70 CO -0.24 0.11 0.01 -0.33 -2.88 0.00 0.00 179.24 175.91 3cpw h GLU 71 N 0.22 0.00 0.00 0.28 5.08 -1.20 -2.88 114.58 116.09 3cpw h GLU 71 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3cpw h GLU 71 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3cpw h GLU 71 CO -0.10 0.00 -0.39 0.09 -1.00 0.00 0.00 179.01 177.61 3cpw n ASN 72 N -2.83 1.81 0.50 1.42 3.02 -1.03 -4.84 115.26 113.31 3cpw n ASN 72 Ca -0.03 -3.52 -0.19 0.00 -0.03 0.00 0.00 54.58 50.81 3cpw n ASN 72 Cb 0.07 -0.48 -0.09 0.00 -0.61 0.00 0.00 39.78 38.67 3cpw n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3cpw h VAL 73 N 1.20 0.00 -0.85 2.41 -1.51 -1.40 -1.37 116.25 114.73 3cpw h VAL 73 Ca -0.01 -0.02 0.12 0.00 -1.23 0.00 0.00 66.70 65.56 3cpw h VAL 73 Cb 1.06 0.00 -0.09 0.00 -2.13 0.00 0.00 31.29 30.14 3cpw h VAL 73 CO 0.01 0.00 0.47 0.71 -1.23 0.00 0.00 177.57 177.52 3cpw h THR 74 N -1.29 0.81 0.00 7.19 1.35 -1.88 0.19 112.91 119.28 3cpw h THR 74 Ca -0.13 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 65.45 3cpw h THR 74 Cb 0.97 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3cpw h THR 74 CO 0.21 0.13 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.40 3cpw h LEU 75 N 0.72 0.00 -4.74 3.87 3.38 -1.88 -3.02 115.31 113.64 3cpw h LEU 75 Ca 0.44 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.90 3cpw h LEU 75 Cb 0.53 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 3cpw h LEU 75 CO -0.31 0.15 1.09 0.18 0.09 0.00 0.00 178.44 179.64 3cpw n LEU 76 N -3.78 6.84 -0.01 1.67 4.77 0.06 -4.61 117.00 121.94 3cpw n LEU 76 Ca -0.02 -4.11 0.09 0.00 -0.03 0.00 0.00 56.01 51.94 3cpw n LEU 76 Cb 0.25 -1.34 0.50 0.00 -2.33 0.00 0.00 43.42 40.50 3cpw n LEU 76 CO 0.32 1.84 1.16 0.00 -1.33 0.00 0.00 177.39 179.39 3cpw h ALA 77 N 3.60 1.92 0.00 -1.18 0.00 -1.68 -1.96 119.26 119.96 3cpw h ALA 77 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3cpw h ALA 77 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3cpw h ALA 77 CO 0.98 0.01 0.00 0.00 0.00 0.00 0.00 179.25 180.24 3cpw n ALA 78 N -2.51 2.28 -3.71 0.00 0.00 -1.26 -4.66 120.51 110.65 3cpw n ALA 78 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 3cpw n ALA 78 Cb 0.23 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 3cpw n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cpw s ASP 79 N 0.86 -0.08 0.00 0.00 1.01 -0.74 -5.14 116.67 112.59 3cpw s ASP 79 Ca 0.00 0.53 0.00 0.00 0.71 0.00 0.00 52.55 53.79 3cpw s ASP 79 Cb 0.00 0.47 0.00 0.00 1.01 0.00 0.00 42.92 44.40 3cpw s ASP 79 CO 0.00 -0.19 0.00 0.47 0.21 0.00 0.00 175.17 175.66 3cpw n ASP 80 N 4.54 0.00 -3.97 0.27 9.92 -1.25 -4.83 116.55 121.23 3cpw n ASP 80 Ca -0.20 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 53.86 3cpw n ASP 80 Cb 0.52 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.84 3cpw n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3cpw s VAL 81 N 0.00 0.68 0.00 2.53 1.01 -1.26 -2.62 120.40 120.74 3cpw s VAL 81 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3cpw s VAL 81 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3cpw s VAL 81 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.33 3cpw n ALA 82 N 3.47 0.00 0.23 5.51 0.00 -1.26 -4.92 120.51 123.55 3cpw n ALA 82 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.26 3cpw n ALA 82 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 3cpw n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3cpw n GLU 83 N 0.00 0.02 -3.40 0.00 0.00 -1.26 -5.01 120.64 110.99 3cpw n GLU 83 Ca 0.00 0.79 -0.19 0.00 0.00 0.00 0.00 57.16 57.76 3cpw n GLU 83 Cb 0.00 -2.11 -0.00 0.00 0.00 0.00 0.00 31.44 29.33 3cpw n GLU 83 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3cpw s PHE 89 N -3.50 3.09 -0.21 -1.84 0.40 0.16 -5.09 117.98 110.99 3cpw s PHE 89 Ca -0.00 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 3cpw s PHE 89 Cb 0.01 -2.05 0.05 0.00 0.51 0.00 0.00 43.02 41.55 3cpw s PHE 89 CO 0.03 -0.07 -0.05 0.50 0.70 0.00 0.00 175.22 176.34 3cpw s ARG 90 N -4.21 1.54 -0.04 0.44 3.52 -1.08 -0.65 118.95 118.47 3cpw s ARG 90 Ca 0.46 -0.79 0.04 0.00 -0.13 0.00 0.00 55.73 55.31 3cpw s ARG 90 Cb -0.10 -2.36 -0.00 0.00 -1.56 0.00 0.00 34.95 30.93 3cpw s ARG 90 CO 0.32 -0.53 -0.16 0.54 -0.81 0.00 0.00 175.30 174.66 3cpw s VAL 91 N 1.50 1.31 -0.67 7.11 0.11 -0.88 -3.79 120.40 125.10 3cpw s VAL 91 Ca -0.03 -0.64 -0.21 0.00 -2.93 0.00 0.00 61.98 58.17 3cpw s VAL 91 Cb -0.17 -1.14 0.09 0.00 -1.53 0.00 0.00 36.38 33.62 3cpw s VAL 91 CO -0.07 0.38 0.91 -0.62 -3.33 0.00 0.00 175.10 172.37 3cpw s ASP 92 N 0.14 6.22 0.35 3.54 -1.08 -1.26 -2.74 116.67 121.85 3cpw s ASP 92 Ca -0.05 -1.22 0.16 0.00 -0.52 0.00 0.00 52.55 50.91 3cpw s ASP 92 Cb -0.12 -2.38 1.18 0.00 -1.46 0.00 0.00 42.92 40.14 3cpw s ASP 92 CO 0.02 -1.32 1.57 0.52 0.52 0.00 0.00 175.17 176.49 3cpw n VAL 93 N 5.77 -0.42 -0.19 1.11 0.31 -0.83 0.11 118.33 124.18 3cpw n VAL 93 Ca -0.03 2.07 0.29 0.00 -0.01 0.00 0.00 64.34 66.67 3cpw n VAL 93 Cb 0.45 -3.26 0.73 0.00 -0.91 0.00 0.00 33.84 30.84 3cpw n VAL 93 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3cpw h ARG 94 N 0.00 0.00 -0.17 5.55 3.08 -1.91 0.90 114.38 121.84 3cpw h ARG 94 Ca 0.78 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.83 3cpw h ARG 94 Cb 1.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.01 3cpw h ARG 94 CO -0.81 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 177.84 3cpw n ASP 95 N -4.16 2.03 -0.08 7.04 8.00 0.12 -4.28 116.55 125.21 3cpw n ASP 95 Ca 0.19 -1.74 -0.16 0.00 0.71 0.00 0.00 54.79 53.79 3cpw n ASP 95 Cb 1.02 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.96 3cpw n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3cpw n VAL 96 N 0.57 1.24 -1.84 2.53 0.31 0.31 -5.01 118.33 116.43 3cpw n VAL 96 Ca 0.17 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 3cpw n VAL 96 Cb 0.40 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.38 3cpw n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3cpw s VAL 97 N -2.49 2.35 0.70 2.52 1.01 -0.68 -5.02 120.40 118.80 3cpw s VAL 97 Ca -0.26 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 3cpw s VAL 97 Cb 0.08 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.31 3cpw s VAL 97 CO 0.35 0.02 1.09 -1.61 0.00 0.00 0.00 175.10 174.95 3cpw s GLU 98 N 0.98 2.84 -0.71 2.72 2.02 -1.26 -3.48 118.70 121.81 3cpw s GLU 98 Ca 0.71 0.43 0.00 0.00 0.02 0.00 0.00 54.97 56.13 3cpw s GLU 98 Cb -0.46 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3cpw s GLU 98 CO 0.33 -1.03 0.00 0.39 0.02 0.00 0.00 175.26 174.97 3cpw n GLU 99 N -3.00 -1.41 0.00 1.61 1.02 -1.26 -4.82 120.64 112.79 3cpw n GLU 99 Ca 0.07 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3cpw n GLU 99 Cb 0.57 -4.86 0.00 0.00 -0.02 0.00 0.00 31.44 27.13 3cpw n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cpw n ALA 100 N 1.12 2.48 -0.03 0.62 0.00 -1.23 -3.34 120.51 120.15 3cpw n ALA 100 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 3cpw n ALA 100 Cb 0.45 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 3cpw n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cpw n ASP 101 N -0.27 1.46 -0.40 0.00 8.00 -1.26 -4.51 116.55 119.57 3cpw n ASP 101 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 3cpw n ASP 101 Cb 0.11 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 3cpw n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3cpw n ASP 102 N -3.94 0.61 -4.64 -2.24 5.75 -1.25 -4.71 116.55 106.13 3cpw n ASP 102 Ca -0.09 -1.52 -0.33 0.00 -0.01 0.00 0.00 54.79 52.84 3cpw n ASP 102 Cb 0.31 -0.31 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3cpw n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cpw s ALA 103 N -1.19 3.16 0.22 2.12 0.00 -1.21 -4.93 121.76 119.92 3cpw s ALA 103 Ca 0.00 -0.94 0.24 0.00 0.00 0.00 0.00 51.96 51.26 3cpw s ALA 103 Cb 0.00 -1.28 1.04 0.00 0.00 0.00 0.00 23.12 22.88 3cpw s ALA 103 CO 0.00 0.62 1.88 0.22 0.00 0.00 0.00 175.76 178.48 3cpw h ASP 104 N 4.66 0.00 0.00 0.00 1.82 -1.09 -3.47 116.42 118.34 3cpw h ASP 104 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 3cpw h ASP 104 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 3cpw h ASP 104 CO 0.55 0.21 0.00 0.00 -1.61 0.00 0.00 179.24 178.39 3cpw n TYR 105 N -3.47 0.00 -4.00 0.28 0.18 -1.26 -5.03 117.16 103.87 3cpw n TYR 105 Ca -0.00 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.43 3cpw n TYR 105 Cb 0.39 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.25 3cpw n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3cpw s VAL 106 N -2.00 4.87 -0.02 -3.48 1.01 -1.26 -0.12 120.40 119.40 3cpw s VAL 106 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.02 3cpw s VAL 106 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3cpw s VAL 106 CO 0.00 0.48 -0.17 -0.75 0.00 0.00 0.00 175.10 174.67 3cpw s LYS 107 N 0.15 1.40 -0.26 2.72 2.20 0.89 -1.74 119.74 125.10 3cpw s LYS 107 Ca 0.05 -0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 54.96 3cpw s LYS 107 Cb -0.12 -1.34 -0.05 0.00 -1.51 0.00 0.00 37.83 34.82 3cpw s LYS 107 CO 0.00 0.35 0.15 0.08 -0.36 0.00 0.00 175.35 175.57 3cpw s VAL 108 N -0.34 5.11 0.15 4.02 1.01 0.21 -2.01 120.40 128.54 3cpw s VAL 108 Ca 0.05 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3cpw s VAL 108 Cb -0.07 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3cpw s VAL 108 CO -0.00 0.30 0.26 -0.76 0.00 0.00 0.00 175.10 174.89 3cpw s LEU 109 N 1.48 4.25 -1.00 3.92 1.43 0.75 -2.42 118.68 127.09 3cpw s LEU 109 Ca 0.07 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3cpw s LEU 109 Cb -0.15 -2.83 0.32 0.00 0.03 0.00 0.00 46.19 43.56 3cpw s LEU 109 CO 0.07 0.06 1.70 0.61 0.23 0.00 0.00 176.35 179.02 3cpw n GLY 110 N -0.49 5.96 3.52 -3.19 0.00 -1.26 -1.49 105.19 108.23 3cpw n GLY 110 Ca -0.07 -2.61 -0.36 0.00 0.00 0.00 0.00 46.02 42.98 3cpw n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw s ALA 111 N -4.04 3.27 0.00 4.61 0.00 -1.26 -4.62 121.76 119.72 3cpw s ALA 111 Ca 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3cpw s ALA 111 Cb 0.18 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3cpw s ALA 111 CO -0.10 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3cpw n GLY 112 N 4.49 -0.63 3.53 0.00 0.00 -1.26 -2.71 105.19 108.60 3cpw n GLY 112 Ca -0.16 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.51 3cpw n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cpw s GLN 113 N 0.00 1.85 -0.26 1.61 -0.21 -1.26 -4.87 119.66 116.53 3cpw s GLN 113 Ca 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 55.36 53.68 3cpw s GLN 113 Cb 0.00 -1.86 0.07 0.00 1.00 0.00 0.00 33.01 32.22 3cpw s GLN 113 CO 0.00 0.31 0.01 0.08 -2.12 0.00 0.00 175.29 173.57 3cpw s VAL 114 N -2.48 1.28 -0.30 1.09 1.01 -1.26 -4.27 120.40 115.47 3cpw s VAL 114 Ca 0.31 -1.26 0.11 0.00 0.00 0.00 0.00 61.98 61.14 3cpw s VAL 114 Cb -0.04 -1.72 0.72 0.00 0.00 0.00 0.00 36.38 35.33 3cpw s VAL 114 CO 0.17 -0.30 1.75 0.54 0.00 0.00 0.00 175.10 177.25 3cpw n ARG 115 N 4.73 3.63 -4.11 2.72 1.74 -1.26 -4.79 116.66 119.32 3cpw n ARG 115 Ca -0.07 -3.09 -0.11 0.00 -0.77 0.00 0.00 57.85 53.81 3cpw n ARG 115 Cb 0.44 -2.16 -0.07 0.00 -1.02 0.00 0.00 32.46 29.64 3cpw n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3cpw s HIS 116 N -2.98 0.85 -0.33 -1.55 3.76 -1.26 -5.11 115.29 108.66 3cpw s HIS 116 Ca 0.53 -1.12 -0.16 0.00 -0.15 0.00 0.00 55.06 54.16 3cpw s HIS 116 Cb 0.43 -0.22 -0.01 0.00 1.11 0.00 0.00 32.58 33.89 3cpw s HIS 116 CO 0.12 -0.84 0.44 -1.83 -0.85 0.00 0.00 174.74 171.78 3cpw s GLU 117 N -3.98 3.70 -0.02 1.40 -1.05 -1.25 -4.74 118.70 112.76 3cpw s GLU 117 Ca 0.32 -0.18 0.07 0.00 -0.15 0.00 0.00 54.97 55.03 3cpw s GLU 117 Cb 0.03 -3.77 -0.02 0.00 -0.44 0.00 0.00 34.13 29.93 3cpw s GLU 117 CO 0.12 -0.52 -0.23 -0.51 0.95 0.00 0.00 175.26 175.08 3cpw s LEU 118 N 2.20 2.04 -0.39 1.83 1.43 -1.26 0.37 118.68 124.90 3cpw s LEU 118 Ca 0.16 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3cpw s LEU 118 Cb -0.16 -1.18 0.09 0.00 0.03 0.00 0.00 46.19 44.98 3cpw s LEU 118 CO 0.12 0.28 0.18 -0.89 0.23 0.00 0.00 176.35 176.27 3cpw s THR 119 N -0.51 3.47 -0.16 5.49 2.01 0.18 -1.06 115.64 125.05 3cpw s THR 119 Ca 0.08 -1.79 -0.08 0.00 0.31 0.00 0.00 61.69 60.22 3cpw s THR 119 Cb -0.09 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3cpw s THR 119 CO -0.01 -0.55 0.10 -0.76 -0.69 0.00 0.00 174.62 172.71 3cpw s LEU 120 N 1.23 4.09 -0.25 4.42 1.43 -0.95 -2.07 118.68 126.57 3cpw s LEU 120 Ca 0.05 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3cpw s LEU 120 Cb -0.22 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.01 3cpw s LEU 120 CO -0.02 0.26 -0.09 -0.63 0.23 0.00 0.00 176.35 176.11 3cpw s ILE 121 N -0.16 2.54 0.10 -0.59 1.01 -1.11 0.63 121.20 123.62 3cpw s ILE 121 Ca 0.09 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.34 3cpw s ILE 121 Cb -0.12 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 40.00 3cpw s ILE 121 CO 0.01 0.11 0.25 0.00 0.00 0.00 0.00 174.94 175.31 3cpw s ALA 122 N 1.23 -0.44 -0.19 9.38 0.00 -0.94 -1.97 121.76 128.83 3cpw s ALA 122 Ca -0.03 -0.43 0.27 0.00 0.00 0.00 0.00 51.96 51.76 3cpw s ALA 122 Cb -0.18 0.54 1.25 0.00 0.00 0.00 0.00 23.12 24.73 3cpw s ALA 122 CO -0.05 -0.54 1.81 -0.44 0.00 0.00 0.00 175.76 176.54 3cpw h ASP 123 N 2.66 0.00 -3.39 0.00 3.32 -1.66 -2.59 116.42 114.77 3cpw h ASP 123 Ca -0.34 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.87 3cpw h ASP 123 Cb 1.22 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.50 3cpw h ASP 123 CO 0.53 0.00 0.76 -0.62 -1.72 0.00 0.00 179.24 178.19 3cpw s ASP 124 N -4.52 -0.19 0.20 6.45 2.15 -1.06 -4.06 116.67 115.63 3cpw s ASP 124 Ca 0.01 0.25 0.05 0.00 0.43 0.00 0.00 52.55 53.28 3cpw s ASP 124 Cb 0.09 0.21 -0.05 0.00 -0.30 0.00 0.00 42.92 42.86 3cpw s ASP 124 CO 0.37 -0.16 -0.07 -0.36 -0.17 0.00 0.00 175.17 174.78 3cpw s PHE 125 N -0.84 1.51 0.23 -5.34 0.40 -1.26 -0.62 117.98 112.07 3cpw s PHE 125 Ca 0.04 -0.78 0.07 0.00 -0.60 0.00 0.00 56.93 55.65 3cpw s PHE 125 Cb -0.02 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 3cpw s PHE 125 CO -0.05 0.10 0.18 -1.54 0.70 0.00 0.00 175.22 174.61 3cpw s SER 126 N -3.27 5.52 0.14 1.36 1.04 -1.02 -4.94 113.70 112.54 3cpw s SER 126 Ca 0.23 -0.22 -0.31 0.00 0.48 0.00 0.00 55.95 56.14 3cpw s SER 126 Cb 0.03 -1.41 -0.07 0.00 0.10 0.00 0.00 66.02 64.67 3cpw s SER 126 CO 0.06 -0.01 1.56 -0.33 0.98 0.00 0.00 173.24 175.50 3cpw h GLU 127 N 1.72 -0.40 -0.90 4.02 5.08 -2.00 -0.49 114.58 121.61 3cpw h GLU 127 Ca -0.48 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.08 3cpw h GLU 127 Cb 1.23 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 3cpw h GLU 127 CO 0.61 -0.26 0.58 0.78 -1.00 0.00 0.00 179.01 179.72 3cpw h GLY 128 N -0.41 1.13 0.86 -3.84 0.00 -1.96 0.60 103.07 99.46 3cpw h GLY 128 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3cpw h GLY 128 CO -0.55 0.03 0.05 0.00 0.00 0.00 0.00 176.54 176.08 3cpw h ALA 129 N 1.61 0.18 0.07 3.60 0.00 -1.38 -1.77 119.26 121.58 3cpw h ALA 129 Ca 0.47 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3cpw h ALA 129 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3cpw h ALA 129 CO -0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 179.25 178.79 3cpw h ARG 130 N 0.06 -0.09 -0.42 0.00 3.08 -0.47 -1.01 114.38 115.53 3cpw h ARG 130 Ca 0.05 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.19 3cpw h ARG 130 Cb 0.19 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 3cpw h ARG 130 CO -0.00 0.15 -0.12 0.93 -1.07 0.00 0.00 179.97 179.86 3cpw h GLU 131 N -0.33 -0.01 -0.31 0.04 5.08 -0.90 0.82 114.58 118.97 3cpw h GLU 131 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3cpw h GLU 131 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3cpw h GLU 131 CO 0.02 -0.01 -0.01 0.87 -1.00 0.00 0.00 179.01 178.87 3cpw h LYS 132 N -0.01 0.56 -0.95 2.33 1.57 -1.30 0.21 116.57 118.97 3cpw h LYS 132 Ca 0.20 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3cpw h LYS 132 Cb 0.32 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 3cpw h LYS 132 CO -0.44 0.71 0.62 0.28 -0.57 0.00 0.00 179.45 180.04 3cpw h VAL 133 N 0.35 1.25 0.01 0.50 2.07 -0.58 -2.48 116.25 117.37 3cpw h VAL 133 Ca 0.09 -0.46 -0.20 0.00 0.82 0.00 0.00 66.70 66.95 3cpw h VAL 133 Cb 0.46 -0.14 0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3cpw h VAL 133 CO 0.02 0.24 -0.77 -0.33 0.02 0.00 0.00 177.57 176.75 3cpw h GLU 134 N 1.29 0.51 -0.09 1.57 5.08 -0.80 0.02 114.58 122.15 3cpw h GLU 134 Ca 0.35 -0.56 0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3cpw h GLU 134 Cb -0.13 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3cpw h GLU 134 CO -0.07 1.19 0.34 0.78 -1.00 0.00 0.00 179.01 180.25 3cpw h GLY 135 N 0.06 0.00 -3.67 -3.84 0.00 -0.31 1.20 103.07 96.51 3cpw h GLY 135 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.93 3cpw h GLY 135 CO 0.15 0.00 0.37 0.00 0.00 0.00 0.00 176.54 177.06 3cpw n ALA 136 N -2.01 4.87 -3.37 3.60 0.00 -0.96 -4.88 120.51 117.77 3cpw n ALA 136 Ca 0.00 -2.56 -0.18 0.00 0.00 0.00 0.00 53.44 50.70 3cpw n ALA 136 Cb 0.42 -1.28 0.08 0.00 0.00 0.00 0.00 19.45 18.66 3cpw n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 137 N -0.51 -0.32 3.69 0.00 0.00 0.41 -3.89 105.19 104.56 3cpw n GLY 137 Ca 0.46 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 3cpw n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cpw s GLY 138 N -3.77 2.84 0.29 -0.02 0.00 -0.01 -4.52 107.32 102.12 3cpw s GLY 138 Ca 0.25 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 44.09 3cpw s GLY 138 CO 0.65 -2.12 0.03 -1.35 0.00 0.00 0.00 173.10 170.31 3cpw s SER 139 N -3.80 2.19 -0.13 1.64 1.04 -0.22 -3.88 113.70 110.54 3cpw s SER 139 Ca 0.15 -1.31 -0.02 0.00 0.48 0.00 0.00 55.95 55.25 3cpw s SER 139 Cb 0.04 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.15 3cpw s SER 139 CO 0.08 -0.56 0.01 -0.69 0.98 0.00 0.00 173.24 173.06 3cpw s VAL 140 N -3.33 0.53 -0.23 5.02 1.01 -1.26 -2.25 120.40 119.90 3cpw s VAL 140 Ca 0.34 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 3cpw s VAL 140 Cb 0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 3cpw s VAL 140 CO 0.13 0.08 0.05 -1.61 0.00 0.00 0.00 175.10 173.75 3cpw s GLU 141 N 1.89 3.69 -0.13 2.72 2.02 0.20 -4.97 118.70 124.13 3cpw s GLU 141 Ca 0.02 -0.47 -0.25 0.00 0.02 0.00 0.00 54.97 54.29 3cpw s GLU 141 Cb -0.14 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 3cpw s GLU 141 CO -0.07 -0.06 0.80 -1.17 0.02 0.00 0.00 175.26 174.78 3cpw s LEU 142 N 1.26 4.23 1.27 1.80 2.96 -1.26 -2.20 118.68 126.73 3cpw s LEU 142 Ca 0.04 1.22 -0.17 0.00 -0.22 0.00 0.00 54.13 55.00 3cpw s LEU 142 Cb -0.15 -3.22 0.32 0.00 0.50 0.00 0.00 46.19 43.65 3cpw s LEU 142 CO 0.03 -0.30 0.99 -0.89 -1.32 0.00 0.00 176.35 174.85 3cpw s THR 143 N 1.66 1.70 0.19 3.68 2.01 -0.98 -4.79 115.64 119.12 3cpw s THR 143 Ca 0.39 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 3cpw s THR 143 Cb -0.17 -2.08 0.10 0.00 0.01 0.00 0.00 72.50 70.35 3cpw s THR 143 CO 0.15 0.00 1.69 0.44 -0.69 0.00 0.00 174.62 176.21 3cpw h ASP 144 N -2.94 1.06 -0.54 3.53 3.32 -1.97 -0.33 116.42 118.56 3cpw h ASP 144 Ca -0.55 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.21 3cpw h ASP 144 Cb 1.34 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 3cpw h ASP 144 CO 0.43 1.05 0.25 0.25 -1.72 0.00 0.00 179.24 179.49 3cpw h LEU 145 N 1.03 0.75 0.00 1.55 6.46 -1.93 0.21 115.31 123.38 3cpw h LEU 145 Ca 0.21 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3cpw h LEU 145 Cb 0.43 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3cpw h LEU 145 CO 0.01 0.66 0.00 0.61 -0.62 0.00 0.00 178.44 179.10 3cpw n GLY 146 N -1.10 -0.23 1.56 3.75 0.00 -0.15 -2.82 105.19 106.19 3cpw n GLY 146 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 3cpw n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cpw n GLU 147 N -1.17 1.23 -2.74 1.61 1.02 0.73 -4.13 120.64 117.18 3cpw n GLU 147 Ca 0.01 -0.46 -0.23 0.00 -0.02 0.00 0.00 57.16 56.46 3cpw n GLU 147 Cb 0.01 -1.18 -0.01 0.00 -0.02 0.00 0.00 31.44 30.24 3cpw n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3cpw n GLU 148 N 1.04 2.73 -3.49 3.49 1.02 -1.13 -4.94 120.64 119.36 3cpw n GLU 148 Ca 0.09 -4.30 -0.27 0.00 -0.02 0.00 0.00 57.16 52.66 3cpw n GLU 148 Cb 0.54 -2.03 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 3cpw n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cpw n ARG 149 N -0.25 1.44 0.00 3.49 1.74 -1.26 -5.20 116.66 116.62 3cpw n ARG 149 Ca 0.30 -3.98 0.00 0.00 -0.77 0.00 0.00 57.85 53.41 3cpw n ARG 149 Cb 0.60 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3cpw n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05