#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw n LYS 2 N 0.00 0.63 -1.99 4.33 2.85 -1.26 -4.82 118.16 117.90 3cpw n LYS 2 Ca 0.00 0.02 -0.42 0.00 -1.05 0.00 0.00 58.31 56.86 3cpw n LYS 2 Cb 0.00 -1.70 -0.03 0.00 -0.65 0.00 0.00 35.03 32.66 3cpw n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3cpw s GLN 3 N -3.26 4.22 0.26 -1.58 -0.21 -1.26 -4.93 119.66 112.91 3cpw s GLN 3 Ca -0.04 2.26 -0.01 0.00 0.02 0.00 0.00 55.36 57.58 3cpw s GLN 3 Cb 0.11 -3.52 0.50 0.00 1.00 0.00 0.00 33.01 31.10 3cpw s GLN 3 CO 0.84 -0.67 1.80 -1.35 -2.12 0.00 0.00 175.29 173.79 3cpw h PRO 4 N 7.95 0.78 -0.24 2.91 0.11 -1.99 -1.54 132.00 139.98 3cpw h PRO 4 Ca -0.42 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3cpw h PRO 4 Cb 1.20 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3cpw h PRO 4 CO 0.92 0.52 0.06 -0.44 -0.21 0.00 0.00 178.00 178.85 3cpw h ASP 5 N 0.80 0.05 -0.35 -2.05 5.19 -2.00 -1.38 116.42 116.68 3cpw h ASP 5 Ca 0.45 0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 56.76 3cpw h ASP 5 Cb 0.50 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 3cpw h ASP 5 CO -0.29 0.06 -0.28 0.11 -3.12 0.00 0.00 179.24 175.72 3cpw h LYS 6 N 0.16 0.86 0.36 3.56 1.57 -1.86 -2.15 116.57 119.08 3cpw h LYS 6 Ca 0.11 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3cpw h LYS 6 Cb 0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3cpw h LYS 6 CO -0.13 1.03 -0.33 1.96 -0.57 0.00 0.00 179.45 181.42 3cpw h GLN 7 N 0.73 -0.68 -0.97 3.15 1.08 -0.95 -0.75 115.11 116.73 3cpw h GLN 7 Ca 0.09 0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.37 3cpw h GLN 7 Cb 0.84 0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 28.36 3cpw h GLN 7 CO 0.07 -0.45 0.63 0.00 -0.95 0.00 0.00 178.83 178.13 3cpw h ARG 8 N -0.71 1.16 0.36 1.46 3.08 -1.28 -2.76 114.38 115.70 3cpw h ARG 8 Ca -0.03 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3cpw h ARG 8 Cb 0.63 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3cpw h ARG 8 CO -0.04 0.77 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.23 3cpw h LYS 9 N 1.19 -0.47 -0.03 0.04 3.64 -1.03 -0.09 116.57 119.82 3cpw h LYS 9 Ca 0.39 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.81 3cpw h LYS 9 Cb 0.05 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3cpw h LYS 9 CO -0.13 -0.25 0.07 0.66 -2.27 0.00 0.00 179.45 177.53 3cpw h SER 10 N -0.58 0.00 0.15 4.20 4.64 -0.99 0.29 113.55 121.26 3cpw h SER 10 Ca -0.05 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.01 3cpw h SER 10 Cb 0.43 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3cpw h SER 10 CO 0.08 0.00 -1.26 1.56 -0.87 0.00 0.00 176.83 176.34 3cpw h GLN 11 N 0.00 0.31 0.00 4.77 4.20 -1.17 -2.77 115.11 120.45 3cpw h GLN 11 Ca 0.02 -0.53 -0.09 0.00 0.06 0.00 0.00 58.65 58.11 3cpw h GLN 11 Cb 0.17 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3cpw h GLN 11 CO -0.00 1.25 -0.42 0.00 -0.67 0.00 0.00 178.83 178.99 3cpw h ARG 12 N -0.24 0.00 -0.41 1.46 3.08 0.02 -3.22 114.38 115.06 3cpw h ARG 12 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3cpw h ARG 12 Cb 1.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.85 3cpw h ARG 12 CO 0.12 0.42 0.00 0.54 -1.07 0.00 0.00 179.97 179.98 3cpw n ARG 13 N -3.55 3.08 -2.00 0.04 1.74 0.92 -5.01 116.66 111.87 3cpw n ARG 13 Ca -0.00 -2.49 -0.41 0.00 -0.77 0.00 0.00 57.85 54.18 3cpw n ARG 13 Cb 0.54 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 3cpw n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cpw s ALA 14 N -1.69 3.60 1.07 7.54 0.00 -1.04 -4.98 121.76 126.26 3cpw s ALA 14 Ca 0.36 1.35 -0.12 0.00 0.00 0.00 0.00 51.96 53.55 3cpw s ALA 14 Cb 0.23 -3.55 0.23 0.00 0.00 0.00 0.00 23.12 20.04 3cpw s ALA 14 CO 0.17 -0.76 1.07 -2.14 0.00 0.00 0.00 175.76 174.10 3cpw s PRO 15 N -0.85 -0.21 0.16 0.00 0.02 -1.26 -4.73 135.00 128.14 3cpw s PRO 15 Ca 0.57 1.08 -0.18 0.00 0.02 0.00 0.00 61.00 62.49 3cpw s PRO 15 Cb -0.42 -1.62 0.08 0.00 0.02 0.00 0.00 34.50 32.56 3cpw s PRO 15 CO 0.47 -3.32 1.67 -0.07 -0.33 0.00 0.00 177.00 175.42 3cpw h LEU 16 N -2.34 -0.37 -2.14 -5.54 3.38 -1.98 -1.63 115.31 104.69 3cpw h LEU 16 Ca -0.55 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3cpw h LEU 16 Cb 1.31 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.30 3cpw h LEU 16 CO 0.47 -0.13 0.00 1.12 0.09 0.00 0.00 178.44 179.99 3cpw h HIS 17 N -0.01 0.00 -0.00 1.13 2.07 -2.02 -0.77 115.15 115.54 3cpw h HIS 17 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 3cpw h HIS 17 Cb 0.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.26 3cpw h HIS 17 CO -0.34 0.00 -0.40 0.39 -3.07 0.00 0.00 177.93 174.51 3cpw n GLU 18 N -2.94 0.29 0.00 5.12 1.02 -0.64 -3.93 120.64 119.56 3cpw n GLU 18 Ca -0.01 -0.16 0.13 0.00 -0.02 0.00 0.00 57.16 57.10 3cpw n GLU 18 Cb 0.16 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.58 3cpw n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cpw n ARG 19 N -1.21 0.04 -0.28 3.49 1.74 -0.30 -3.63 116.66 116.51 3cpw n ARG 19 Ca 0.08 -0.01 0.02 0.00 -0.77 0.00 0.00 57.85 57.16 3cpw n ARG 19 Cb 0.34 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.50 3cpw n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3cpw h HIS 20 N 0.03 1.04 0.00 -1.55 3.86 -1.68 0.21 115.15 117.05 3cpw h HIS 20 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3cpw h HIS 20 Cb 0.49 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3cpw h HIS 20 CO 0.00 0.61 0.00 0.36 0.86 0.00 0.00 177.93 179.76 3cpw n LYS 21 N -4.44 0.10 0.00 2.45 2.85 -1.24 -1.73 118.16 116.14 3cpw n LYS 21 Ca 0.11 0.38 0.14 0.00 -1.05 0.00 0.00 58.31 57.89 3cpw n LYS 21 Cb 0.09 -1.70 0.53 0.00 -0.65 0.00 0.00 35.03 33.30 3cpw n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3cpw n GLN 22 N -1.89 1.12 -1.01 -1.58 6.02 0.06 -3.68 117.38 116.41 3cpw n GLN 22 Ca 0.02 -0.57 -0.01 0.00 -0.01 0.00 0.00 57.00 56.44 3cpw n GLN 22 Cb 0.17 -1.49 0.15 0.00 1.02 0.00 0.00 30.24 30.09 3cpw n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3cpw n VAL 23 N -0.44 2.09 -3.49 5.09 0.24 -0.71 -4.76 118.33 116.34 3cpw n VAL 23 Ca 0.16 -3.27 -0.35 0.00 -2.04 0.00 0.00 64.34 58.84 3cpw n VAL 23 Cb 0.32 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.33 3cpw n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3cpw s ARG 24 N -3.08 3.83 0.03 7.34 0.52 -1.24 -1.89 118.95 124.46 3cpw s ARG 24 Ca 0.40 0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.92 3cpw s ARG 24 Cb 0.38 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 3cpw s ARG 24 CO -0.05 0.52 -0.09 0.00 0.02 0.00 0.00 175.30 175.70 3cpw s ALA 25 N -1.45 0.68 0.81 2.13 0.00 0.26 -4.15 121.76 120.04 3cpw s ALA 25 Ca 0.35 -0.66 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 3cpw s ALA 25 Cb -0.14 -0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.02 3cpw s ALA 25 CO 0.19 0.07 1.16 -0.08 0.00 0.00 0.00 175.76 177.09 3cpw s THR 26 N -0.97 2.38 0.19 0.00 -1.32 -1.25 -1.00 115.64 113.66 3cpw s THR 26 Ca -0.04 0.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.62 3cpw s THR 26 Cb -0.08 -2.47 -0.03 0.00 -1.51 0.00 0.00 72.50 68.41 3cpw s THR 26 CO 0.01 -0.13 0.32 -0.76 -2.21 0.00 0.00 174.62 171.84 3cpw s LEU 27 N -5.88 4.33 0.97 9.08 1.43 0.11 -1.62 118.68 127.10 3cpw s LEU 27 Ca 0.69 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 3cpw s LEU 27 Cb -0.24 -2.90 0.17 0.00 0.03 0.00 0.00 46.19 43.25 3cpw s LEU 27 CO 0.52 0.00 1.08 -0.94 0.23 0.00 0.00 176.35 177.25 3cpw s SER 28 N -3.53 2.70 0.19 2.29 1.04 -0.79 -4.72 113.70 110.88 3cpw s SER 28 Ca 0.34 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 58.23 3cpw s SER 28 Cb -0.10 -2.23 0.18 0.00 0.10 0.00 0.00 66.02 63.97 3cpw s SER 28 CO 0.29 -3.14 1.76 0.00 0.98 0.00 0.00 173.24 173.12 3cpw h ALA 29 N -1.89 0.65 0.38 5.32 0.00 -1.98 -1.50 119.26 120.23 3cpw h ALA 29 Ca -0.52 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3cpw h ALA 29 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3cpw h ALA 29 CO 0.52 -0.18 -0.20 -0.44 0.00 0.00 0.00 179.25 178.94 3cpw h ASP 30 N 0.39 -0.49 -0.36 0.00 3.32 -1.98 -2.39 116.42 114.91 3cpw h ASP 30 Ca 0.25 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.36 3cpw h ASP 30 Cb 0.25 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3cpw h ASP 30 CO -0.24 -0.33 0.24 -0.07 -1.72 0.00 0.00 179.24 177.13 3cpw h LEU 31 N -0.54 0.27 -0.52 1.55 3.38 -1.87 0.78 115.31 118.36 3cpw h LEU 31 Ca -0.05 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3cpw h LEU 31 Cb 0.42 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3cpw h LEU 31 CO 0.07 0.19 -0.00 0.03 0.09 0.00 0.00 178.44 178.81 3cpw h ARG 32 N 0.32 0.93 -0.40 1.13 3.08 -1.03 -2.10 114.38 116.30 3cpw h ARG 32 Ca 0.15 -0.30 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 3cpw h ARG 32 Cb 0.22 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3cpw h ARG 32 CO -0.03 0.95 -0.34 1.49 -1.07 0.00 0.00 179.97 180.96 3cpw h GLU 33 N 0.80 0.92 -0.17 0.04 4.57 -0.73 0.21 114.58 120.22 3cpw h GLU 33 Ca 0.15 -0.46 -0.11 0.00 -1.18 0.00 0.00 59.36 57.76 3cpw h GLU 33 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3cpw h GLU 33 CO 0.03 1.11 -0.36 1.49 -1.18 0.00 0.00 179.01 180.10 3cpw h GLU 34 N 0.76 0.36 -0.03 1.92 4.81 -0.75 -3.32 114.58 118.33 3cpw h GLU 34 Ca 0.07 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3cpw h GLU 34 Cb 0.92 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3cpw h GLU 34 CO 0.09 0.68 0.00 0.66 -0.73 0.00 0.00 179.01 179.70 3cpw n TYR 35 N -4.06 0.04 -3.43 0.92 4.02 -0.80 -5.02 117.16 108.82 3cpw n TYR 35 Ca -0.01 -0.22 -0.24 0.00 -0.01 0.00 0.00 57.90 57.41 3cpw n TYR 35 Cb 0.46 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 39.81 3cpw n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cpw n GLY 36 N -0.07 -0.53 3.14 2.72 0.00 0.05 -4.85 105.19 105.66 3cpw n GLY 36 Ca 0.02 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 3cpw n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cpw s GLN 37 N -6.13 0.75 -0.14 1.61 -0.21 -1.15 -5.07 119.66 109.31 3cpw s GLN 37 Ca 0.49 -1.06 -0.05 0.00 0.02 0.00 0.00 55.36 54.76 3cpw s GLN 37 Cb -0.23 -0.42 -0.25 0.00 1.00 0.00 0.00 33.01 33.12 3cpw s GLN 37 CO 0.60 0.06 0.27 -2.13 -2.12 0.00 0.00 175.29 171.97 3cpw n ARG 38 N 0.76 0.74 -4.44 2.91 0.63 -1.26 -4.25 116.66 111.75 3cpw n ARG 38 Ca -0.18 0.24 -0.24 0.00 -0.92 0.00 0.00 57.85 56.75 3cpw n ARG 38 Cb 0.57 -1.68 -0.08 0.00 0.45 0.00 0.00 32.46 31.73 3cpw n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3cpw s ASN 39 N -6.95 2.51 0.16 6.15 4.22 -1.26 0.07 114.94 119.84 3cpw s ASN 39 Ca -0.24 -1.76 -0.18 0.00 -2.14 0.00 0.00 52.86 48.53 3cpw s ASN 39 Cb 0.07 0.60 0.04 0.00 1.28 0.00 0.00 41.25 43.24 3cpw s ASN 39 CO 0.74 -1.03 0.49 0.54 -2.04 0.00 0.00 177.10 175.80 3cpw s VAL 40 N -3.25 0.04 -0.48 3.54 0.11 -0.17 -4.82 120.40 115.37 3cpw s VAL 40 Ca 0.29 -0.51 -0.28 0.00 -2.93 0.00 0.00 61.98 58.54 3cpw s VAL 40 Cb 0.01 -1.28 0.03 0.00 -1.53 0.00 0.00 36.38 33.62 3cpw s VAL 40 CO 0.20 -0.17 1.06 -0.60 -3.33 0.00 0.00 175.10 172.26 3cpw s ARG 41 N -3.82 3.64 0.03 1.54 3.52 -1.22 -0.58 118.95 122.07 3cpw s ARG 41 Ca 0.05 0.40 -0.35 0.00 -0.13 0.00 0.00 55.73 55.70 3cpw s ARG 41 Cb 0.00 -3.92 -0.14 0.00 -1.56 0.00 0.00 34.95 29.33 3cpw s ARG 41 CO -0.09 -1.34 1.63 0.28 -0.81 0.00 0.00 175.30 174.98 3cpw n VAL 42 N 6.70 0.19 -4.16 7.11 0.31 -0.79 -4.96 118.33 122.73 3cpw n VAL 42 Ca 0.10 -0.03 -0.26 0.00 -0.01 0.00 0.00 64.34 64.13 3cpw n VAL 42 Cb 0.49 -1.46 -0.07 0.00 -0.91 0.00 0.00 33.84 31.89 3cpw n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3cpw s ASN 43 N 1.97 5.09 0.00 4.52 0.01 -1.26 -4.98 114.94 120.29 3cpw s ASN 43 Ca 0.86 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.72 3cpw s ASN 43 Cb -0.77 -1.19 0.00 0.00 0.41 0.00 0.00 41.25 39.69 3cpw s ASN 43 CO 0.46 0.08 0.10 0.00 -1.51 0.00 0.00 177.10 176.23 3cpw n ALA 44 N -0.25 1.49 0.00 0.60 0.00 -1.26 -1.91 120.51 119.18 3cpw n ALA 44 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3cpw n ALA 44 Cb 0.55 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3cpw n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 45 N -0.14 0.00 3.53 0.00 0.00 -1.25 -4.51 105.19 102.82 3cpw n GLY 45 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3cpw n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cpw n ASP 46 N -1.61 -0.96 -4.59 1.61 8.00 -0.80 -4.57 116.55 113.63 3cpw n ASP 46 Ca 0.00 0.20 -0.33 0.00 0.71 0.00 0.00 54.79 55.37 3cpw n ASP 46 Cb 0.27 -1.32 -0.11 0.00 -0.02 0.00 0.00 41.12 39.95 3cpw n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3cpw s THR 47 N -2.49 3.68 0.05 -3.53 2.01 0.77 -1.21 115.64 114.93 3cpw s THR 47 Ca 0.64 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 3cpw s THR 47 Cb -0.22 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 3cpw s THR 47 CO 0.63 0.49 0.04 -0.69 -0.69 0.00 0.00 174.62 174.40 3cpw s VAL 48 N -0.91 0.18 -0.10 3.82 1.01 0.39 -1.12 120.40 123.68 3cpw s VAL 48 Ca 0.15 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.69 3cpw s VAL 48 Cb -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3cpw s VAL 48 CO 0.05 -0.81 -0.21 -1.83 0.00 0.00 0.00 175.10 172.30 3cpw s GLU 49 N -3.46 2.68 -0.12 2.72 -1.05 0.21 -1.55 118.70 118.12 3cpw s GLU 49 Ca 0.02 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.80 3cpw s GLU 49 Cb 0.04 -2.07 -0.02 0.00 -0.44 0.00 0.00 34.13 31.64 3cpw s GLU 49 CO -0.08 0.11 1.14 0.08 0.95 0.00 0.00 175.26 177.46 3cpw s VAL 50 N 0.49 4.46 -1.67 1.83 1.01 -0.34 -1.87 120.40 124.31 3cpw s VAL 50 Ca -0.16 1.76 0.14 0.00 0.00 0.00 0.00 61.98 63.72 3cpw s VAL 50 Cb -0.17 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.16 3cpw s VAL 50 CO 0.06 -0.06 0.91 0.18 0.00 0.00 0.00 175.10 176.19 3cpw n LEU 51 N 5.68 2.01 0.00 3.92 4.77 -0.56 0.11 117.00 132.93 3cpw n LEU 51 Ca 0.11 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3cpw n LEU 51 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3cpw n LEU 51 CO 0.54 0.37 -0.00 0.54 -1.33 0.00 0.00 177.39 177.51 3cpw n ARG 52 N 0.55 0.00 0.00 3.23 5.12 -1.24 -4.87 116.66 119.46 3cpw n ARG 52 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 3cpw n ARG 52 Cb 0.34 -0.50 0.00 0.00 -1.16 0.00 0.00 32.46 31.14 3cpw n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cpw n GLY 53 N 1.48 -2.77 0.00 -0.13 0.00 -1.26 -4.65 105.19 97.86 3cpw n GLY 53 Ca 0.00 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.09 3cpw n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cpw n ASP 54 N 0.00 0.21 -1.36 1.61 10.43 -1.26 -2.98 116.55 123.21 3cpw n ASP 54 Ca 0.00 0.22 0.08 0.00 2.57 0.00 0.00 54.79 57.66 3cpw n ASP 54 Cb 0.00 -0.22 0.33 0.00 1.84 0.00 0.00 41.12 43.07 3cpw n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3cpw n PHE 55 N -1.53 1.46 -1.68 1.24 3.01 -1.26 -5.00 117.46 113.71 3cpw n PHE 55 Ca 0.06 -0.80 -0.46 0.00 1.01 0.00 0.00 57.45 57.27 3cpw n PHE 55 Cb 0.34 -0.39 -0.04 0.00 -0.01 0.00 0.00 39.48 39.38 3cpw n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cpw n ALA 56 N 0.07 1.47 0.00 4.37 0.00 -1.16 -1.94 120.51 123.33 3cpw n ALA 56 Ca 0.24 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3cpw n ALA 56 Cb 1.02 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3cpw n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 57 N 3.82 2.44 3.78 0.00 0.00 0.30 -4.97 105.19 110.57 3cpw n GLY 57 Ca 0.18 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3cpw n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cpw s GLU 58 N 0.00 3.37 0.11 1.61 2.02 -0.82 -4.73 118.70 120.26 3cpw s GLU 58 Ca 0.00 1.51 0.08 0.00 0.02 0.00 0.00 54.97 56.58 3cpw s GLU 58 Cb 0.00 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 3cpw s GLU 58 CO 0.00 -0.82 -0.20 -1.21 0.02 0.00 0.00 175.26 173.05 3cpw s GLU 59 N -3.44 1.13 -0.01 1.61 2.02 -1.26 -1.20 118.70 117.56 3cpw s GLU 59 Ca 0.70 -1.19 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 3cpw s GLU 59 Cb -0.21 -1.35 0.10 0.00 0.10 0.00 0.00 34.13 32.77 3cpw s GLU 59 CO 0.28 0.31 1.28 0.20 0.02 0.00 0.00 175.26 177.35 3cpw s GLY 60 N -2.01 -0.18 0.03 -1.39 0.00 -0.60 -5.00 107.32 98.17 3cpw s GLY 60 Ca 0.07 0.18 -0.18 0.00 0.00 0.00 0.00 44.72 44.79 3cpw s GLY 60 CO 0.04 4.17 0.51 1.85 0.00 0.00 0.00 173.10 179.67 3cpw s GLU 61 N -2.12 4.11 -0.18 2.90 2.12 -1.26 -0.46 118.70 123.81 3cpw s GLU 61 Ca 0.25 0.60 -0.29 0.00 0.36 0.00 0.00 54.97 55.89 3cpw s GLU 61 Cb 0.01 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 3cpw s GLU 61 CO -0.01 0.61 1.35 0.08 -0.54 0.00 0.00 175.26 176.75 3cpw s VAL 62 N -0.94 4.12 -0.13 3.70 1.01 -0.35 -0.25 120.40 127.57 3cpw s VAL 62 Ca 0.27 1.34 0.21 0.00 0.00 0.00 0.00 61.98 63.79 3cpw s VAL 62 Cb -0.18 -3.94 -0.18 0.00 0.00 0.00 0.00 36.38 32.08 3cpw s VAL 62 CO 0.16 -0.20 0.69 -0.38 0.00 0.00 0.00 175.10 175.37 3cpw n ILE 63 N 5.63 0.62 -3.55 2.22 2.08 0.71 -3.86 119.36 123.20 3cpw n ILE 63 Ca 0.15 -0.60 -0.14 0.00 0.56 0.00 0.00 62.75 62.72 3cpw n ILE 63 Cb 0.45 -0.32 -0.05 0.00 -0.75 0.00 0.00 39.64 38.97 3cpw n ILE 63 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3cpw s ASN 64 N -5.17 -0.46 -0.30 4.38 2.47 -1.13 -4.96 114.94 109.77 3cpw s ASN 64 Ca -0.05 0.15 -0.03 0.00 0.42 0.00 0.00 52.86 53.35 3cpw s ASN 64 Cb 0.11 0.51 0.11 0.00 -1.45 0.00 0.00 41.25 40.53 3cpw s ASN 64 CO 0.84 -0.76 0.19 -0.69 -3.72 0.00 0.00 177.10 172.96 3cpw s VAL 65 N -2.65 -0.14 -0.45 -5.21 1.01 -1.26 -1.52 120.40 110.16 3cpw s VAL 65 Ca -0.04 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 3cpw s VAL 65 Cb -0.00 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.42 3cpw s VAL 65 CO -0.03 -0.68 0.91 -0.62 0.00 0.00 0.00 175.10 174.67 3cpw s ASP 66 N 2.05 6.50 0.28 3.32 -1.08 -0.02 -4.92 116.67 122.80 3cpw s ASP 66 Ca 0.10 0.12 0.10 0.00 -0.52 0.00 0.00 52.55 52.35 3cpw s ASP 66 Cb -0.16 -2.44 0.37 0.00 -1.46 0.00 0.00 42.92 39.23 3cpw s ASP 66 CO -0.31 -1.02 1.62 -0.07 0.52 0.00 0.00 175.17 175.91 3cpw h LEU 67 N 10.48 0.03 -0.13 -1.34 3.38 -1.94 0.11 115.31 125.90 3cpw h LEU 67 Ca -0.24 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3cpw h LEU 67 Cb 1.08 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3cpw h LEU 67 CO 1.01 0.62 0.01 -0.78 0.09 0.00 0.00 178.44 179.40 3cpw h ASP 68 N 0.02 0.21 -0.21 -0.43 1.82 -1.96 -3.06 116.42 112.80 3cpw h ASP 68 Ca -0.01 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 3cpw h ASP 68 Cb 1.06 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.01 3cpw h ASP 68 CO 0.08 0.44 0.00 0.29 -1.61 0.00 0.00 179.24 178.44 3cpw n LYS 69 N -4.80 2.10 -3.93 0.28 5.02 -1.22 -4.97 118.16 110.64 3cpw n LYS 69 Ca -0.06 -1.65 -0.35 0.00 -2.02 0.00 0.00 58.31 54.24 3cpw n LYS 69 Cb 0.19 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 3cpw n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cpw n ALA 70 N 0.90 -2.38 -2.28 7.82 0.00 0.29 -4.97 120.51 119.88 3cpw n ALA 70 Ca 0.17 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 3cpw n ALA 70 Cb 0.48 -2.71 -0.09 0.00 0.00 0.00 0.00 19.45 17.12 3cpw n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cpw s VAL 71 N -3.70 0.14 0.05 0.00 1.01 -0.58 -4.67 120.40 112.65 3cpw s VAL 71 Ca 0.32 -1.68 0.04 0.00 0.00 0.00 0.00 61.98 60.66 3cpw s VAL 71 Cb -0.14 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3cpw s VAL 71 CO 0.92 -0.66 -0.11 0.27 0.00 0.00 0.00 175.10 175.52 3cpw s ILE 72 N -3.96 0.84 -0.19 2.22 -4.36 -0.49 -0.84 121.20 114.42 3cpw s ILE 72 Ca 0.14 -1.11 -0.07 0.00 -0.26 0.00 0.00 60.65 59.35 3cpw s ILE 72 Cb 0.07 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.90 3cpw s ILE 72 CO -0.05 -0.24 0.06 -1.00 0.24 0.00 0.00 174.94 173.96 3cpw s HIS 73 N -1.19 3.23 -0.07 1.37 3.76 -0.58 -1.39 115.29 120.42 3cpw s HIS 73 Ca -0.04 0.03 0.05 0.00 -0.15 0.00 0.00 55.06 54.94 3cpw s HIS 73 Cb -0.09 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 3cpw s HIS 73 CO 0.01 0.11 -0.24 0.08 -0.85 0.00 0.00 174.74 173.85 3cpw s VAL 74 N 0.47 2.16 0.04 -0.90 1.01 -1.26 -0.21 120.40 121.70 3cpw s VAL 74 Ca 0.03 -1.02 -0.37 0.00 0.00 0.00 0.00 61.98 60.62 3cpw s VAL 74 Cb -0.13 -1.80 -0.16 0.00 0.00 0.00 0.00 36.38 34.29 3cpw s VAL 74 CO 0.01 0.57 1.44 1.21 0.00 0.00 0.00 175.10 178.32 3cpw n GLU 75 N 3.09 1.28 -0.92 2.72 2.13 0.66 -1.28 120.64 128.32 3cpw n GLU 75 Ca -0.18 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3cpw n GLU 75 Cb 0.52 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.10 3cpw n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3cpw n ASP 76 N 3.14 -1.04 -4.38 4.31 8.00 -1.26 -4.61 116.55 120.72 3cpw n ASP 76 Ca 0.20 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.25 3cpw n ASP 76 Cb 0.19 -0.74 -0.00 0.00 -0.02 0.00 0.00 41.12 40.55 3cpw n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3cpw s VAL 77 N -2.89 5.62 0.30 2.53 1.01 -0.40 -4.99 120.40 121.59 3cpw s VAL 77 Ca 0.00 -2.96 0.03 0.00 0.00 0.00 0.00 61.98 59.04 3cpw s VAL 77 Cb 0.00 -4.68 -0.06 0.00 0.00 0.00 0.00 36.38 31.65 3cpw s VAL 77 CO 0.00 -1.30 0.08 0.42 0.00 0.00 0.00 175.10 174.30 3cpw s THR 78 N -0.07 0.93 0.16 3.92 -4.23 -1.26 -0.85 115.64 114.25 3cpw s THR 78 Ca 0.32 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.94 3cpw s THR 78 Cb -0.08 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 3cpw s THR 78 CO -0.06 0.00 -0.25 -0.76 -0.54 0.00 0.00 174.62 173.01 3cpw s LEU 79 N -3.43 2.40 -0.47 4.79 1.43 0.37 -4.75 118.68 119.02 3cpw s LEU 79 Ca 0.37 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 3cpw s LEU 79 Cb 0.08 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 45.13 3cpw s LEU 79 CO 0.15 0.15 0.61 -0.70 0.23 0.00 0.00 176.35 176.78 3cpw s GLU 80 N -2.40 3.18 1.11 1.70 2.56 -1.26 -1.46 118.70 122.13 3cpw s GLU 80 Ca 0.18 -0.67 -0.14 0.00 0.00 0.00 0.00 54.97 54.34 3cpw s GLU 80 Cb -0.09 -4.02 0.25 0.00 2.00 0.00 0.00 34.13 32.27 3cpw s GLU 80 CO 0.08 -1.09 1.06 0.15 -0.56 0.00 0.00 175.26 174.91 3cpw s LYS 81 N 2.64 -0.49 0.16 4.30 1.02 0.07 -4.90 119.74 122.55 3cpw s LYS 81 Ca 0.18 0.52 -0.10 0.00 0.02 0.00 0.00 55.97 56.59 3cpw s LYS 81 Cb -0.17 -1.63 0.03 0.00 -0.52 0.00 0.00 37.83 35.54 3cpw s LYS 81 CO 0.15 -3.35 1.59 1.15 -0.92 0.00 0.00 175.35 173.96 3cpw h THR 82 N -2.34 1.27 0.00 2.17 2.02 -1.97 -2.58 112.91 111.47 3cpw h THR 82 Ca -0.56 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.35 3cpw h THR 82 Cb 1.33 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3cpw h THR 82 CO 0.52 0.45 0.00 -0.90 0.37 0.00 0.00 175.52 175.96 3cpw n ASP 83 N -4.16 0.00 0.00 4.18 5.68 -1.26 -4.87 116.55 116.11 3cpw n ASP 83 Ca 0.01 -0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 3cpw n ASP 83 Cb 0.40 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3cpw n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cpw n GLY 84 N 0.65 3.16 3.69 6.12 0.00 -0.97 -5.07 105.19 112.77 3cpw n GLY 84 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3cpw n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cpw n GLU 85 N -1.47 0.60 -3.88 1.61 2.13 -1.26 -4.61 120.64 113.76 3cpw n GLU 85 Ca 0.00 0.27 -0.36 0.00 0.66 0.00 0.00 57.16 57.73 3cpw n GLU 85 Cb 0.00 -2.44 -0.14 0.00 0.27 0.00 0.00 31.44 29.13 3cpw n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3cpw s GLU 86 N -3.70 2.98 0.18 5.31 2.12 -1.26 -0.75 118.70 123.58 3cpw s GLU 86 Ca 0.77 -0.90 0.08 0.00 0.36 0.00 0.00 54.97 55.28 3cpw s GLU 86 Cb -0.33 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 3cpw s GLU 86 CO 0.47 -0.40 -0.02 0.14 -0.54 0.00 0.00 175.26 174.91 3cpw s VAL 87 N 1.40 3.59 0.46 3.70 -7.23 -0.53 -4.91 120.40 116.88 3cpw s VAL 87 Ca 0.02 -1.52 -0.22 0.00 -1.81 0.00 0.00 61.98 58.45 3cpw s VAL 87 Cb -0.17 -2.81 -0.08 0.00 0.56 0.00 0.00 36.38 33.88 3cpw s VAL 87 CO -0.02 -0.14 1.10 -2.16 -0.31 0.00 0.00 175.10 173.58 3cpw s PRO 88 N -2.99 3.83 -0.47 4.82 0.04 -1.26 0.14 135.00 139.11 3cpw s PRO 88 Ca 0.27 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 3cpw s PRO 88 Cb -0.09 -2.34 0.10 0.00 0.04 0.00 0.00 34.50 32.21 3cpw s PRO 88 CO 0.18 -0.45 0.35 0.50 0.04 0.00 0.00 177.00 177.62 3cpw s ARG 89 N -2.81 2.73 0.23 4.56 6.06 -0.03 -4.66 118.95 125.03 3cpw s ARG 89 Ca 0.64 -1.55 -0.30 0.00 -2.50 0.00 0.00 55.73 52.01 3cpw s ARG 89 Cb -0.24 -3.99 -0.15 0.00 0.06 0.00 0.00 34.95 30.63 3cpw s ARG 89 CO 0.29 -1.10 1.02 -2.30 -2.50 0.00 0.00 175.30 170.72 3cpw n PRO 90 N 5.04 1.13 -4.37 5.12 -0.02 -1.26 -4.78 135.00 135.86 3cpw n PRO 90 Ca -0.11 0.40 -0.24 0.00 -2.02 0.00 0.00 63.50 61.53 3cpw n PRO 90 Cb 0.42 -1.79 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 3cpw n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3cpw s LEU 91 N 0.79 2.41 -0.13 2.45 1.43 -0.48 -4.92 118.68 120.23 3cpw s LEU 91 Ca 0.65 -0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 52.75 3cpw s LEU 91 Cb -0.79 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3cpw s LEU 91 CO 0.56 0.05 0.41 -0.62 0.23 0.00 0.00 176.35 176.98 3cpw s ASP 92 N -2.55 6.59 0.52 2.29 -1.08 -1.26 -1.40 116.67 119.78 3cpw s ASP 92 Ca 0.16 0.70 0.32 0.00 -0.52 0.00 0.00 52.55 53.22 3cpw s ASP 92 Cb -0.07 -2.25 1.76 0.00 -1.46 0.00 0.00 42.92 40.90 3cpw s ASP 92 CO 0.08 0.04 1.98 0.71 0.52 0.00 0.00 175.17 178.50 3cpw h THR 93 N 4.71 0.00 0.00 1.71 1.35 -1.83 -0.41 112.91 118.44 3cpw h THR 93 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3cpw h THR 93 Cb 1.17 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3cpw h THR 93 CO 0.76 0.00 0.00 -1.28 -0.25 0.00 0.00 175.52 174.75 3cpw h SER 94 N 0.00 0.00 -0.60 5.36 0.87 -1.92 -1.95 113.55 115.31 3cpw h SER 94 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3cpw h SER 94 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3cpw h SER 94 CO 0.00 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 3cpw n ASN 95 N -3.03 4.88 -4.34 6.23 3.02 -0.16 -4.97 115.26 116.90 3cpw n ASN 95 Ca 0.01 -2.58 -0.18 0.00 -0.03 0.00 0.00 54.58 51.79 3cpw n ASN 95 Cb 0.29 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 3cpw n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cpw s VAL 96 N -2.10 1.47 -0.05 2.41 1.01 -0.73 -1.49 120.40 120.92 3cpw s VAL 96 Ca 0.51 -2.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.35 3cpw s VAL 96 Cb 0.34 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.63 3cpw s VAL 96 CO 0.21 -0.53 0.01 -0.60 0.00 0.00 0.00 175.10 174.19 3cpw s ARG 97 N -3.72 0.41 -0.08 2.72 3.52 -0.78 -3.79 118.95 117.22 3cpw s ARG 97 Ca 0.23 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.67 3cpw s ARG 97 Cb 0.02 -0.73 -0.03 0.00 -1.56 0.00 0.00 34.95 32.65 3cpw s ARG 97 CO 0.07 -0.24 1.19 0.08 -0.81 0.00 0.00 175.30 175.59 3cpw s VAL 98 N 1.64 4.31 -0.94 7.11 1.01 -0.64 -0.62 120.40 132.27 3cpw s VAL 98 Ca -0.01 1.63 0.10 0.00 0.00 0.00 0.00 61.98 63.70 3cpw s VAL 98 Cb -0.13 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 3cpw s VAL 98 CO -0.03 -0.02 0.64 0.35 0.00 0.00 0.00 175.10 176.03 3cpw n THR 99 N 4.73 0.00 -3.64 3.92 -2.24 -0.27 -1.88 114.28 114.90 3cpw n THR 99 Ca 0.11 -0.39 -0.07 0.00 -2.27 0.00 0.00 64.05 61.43 3cpw n THR 99 Cb 0.46 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.74 3cpw n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cpw s ASP 100 N -1.38 -0.67 0.13 3.42 -1.08 -1.14 -4.95 116.67 111.01 3cpw s ASP 100 Ca 0.08 1.14 0.03 0.00 -0.52 0.00 0.00 52.55 53.29 3cpw s ASP 100 Cb 0.08 1.24 -0.04 0.00 -1.46 0.00 0.00 42.92 42.74 3cpw s ASP 100 CO 0.26 -0.19 0.21 -0.76 0.52 0.00 0.00 175.17 175.21 3cpw s LEU 101 N 1.07 4.12 -0.50 -1.34 1.43 -1.26 -0.16 118.68 122.04 3cpw s LEU 101 Ca -0.06 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 3cpw s LEU 101 Cb -0.05 -2.72 0.13 0.00 0.03 0.00 0.00 46.19 43.58 3cpw s LEU 101 CO -0.12 0.09 0.39 -0.62 0.23 0.00 0.00 176.35 176.31 3cpw s ASP 102 N -2.99 5.81 -0.57 2.29 -1.08 -1.26 -4.85 116.67 114.01 3cpw s ASP 102 Ca 0.33 -1.95 0.00 0.00 -0.52 0.00 0.00 52.55 50.41 3cpw s ASP 102 Cb -0.11 -2.05 0.47 0.00 -1.46 0.00 0.00 42.92 39.77 3cpw s ASP 102 CO 0.26 -0.71 1.85 0.18 0.52 0.00 0.00 175.17 177.27 3cpw n LEU 103 N 4.89 7.00 0.02 -1.34 4.77 -1.26 -4.63 117.00 126.45 3cpw n LEU 103 Ca -0.08 -4.33 0.08 0.00 -0.03 0.00 0.00 56.01 51.66 3cpw n LEU 103 Cb 0.41 -0.83 0.35 0.00 -2.33 0.00 0.00 43.42 41.01 3cpw n LEU 103 CO 0.44 1.57 0.76 -0.62 -1.33 0.00 0.00 177.39 178.21 3cpw n GLU 104 N -0.90 0.04 -3.63 3.23 1.02 -1.26 -4.60 120.64 114.54 3cpw n GLU 104 Ca 0.58 0.27 -0.38 0.00 -0.02 0.00 0.00 57.16 57.62 3cpw n GLU 104 Cb 0.79 -1.57 -0.11 0.00 -0.02 0.00 0.00 31.44 30.54 3cpw n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3cpw s ASP 105 N -3.23 5.93 0.20 1.62 -1.08 -1.26 -4.96 116.67 113.90 3cpw s ASP 105 Ca 0.07 -0.01 -0.10 0.00 -0.52 0.00 0.00 52.55 51.98 3cpw s ASP 105 Cb 0.10 -2.09 0.23 0.00 -1.46 0.00 0.00 42.92 39.69 3cpw s ASP 105 CO 0.30 -0.03 1.78 -0.33 0.52 0.00 0.00 175.17 177.41 3cpw h GLU 106 N 8.20 0.52 0.05 4.34 5.08 -1.99 -1.46 114.58 129.31 3cpw h GLU 106 Ca -0.36 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3cpw h GLU 106 Cb 1.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 3cpw h GLU 106 CO 0.57 0.34 -0.10 0.87 -1.00 0.00 0.00 179.01 179.69 3cpw h LYS 107 N 0.54 -0.19 0.32 2.33 1.57 -1.96 0.24 116.57 119.42 3cpw h LYS 107 Ca 0.28 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 3cpw h LYS 107 Cb 0.25 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3cpw h LYS 107 CO -0.22 -0.13 -0.22 -0.09 -0.57 0.00 0.00 179.45 178.22 3cpw h ARG 108 N -0.20 -0.52 -1.00 3.15 2.43 -1.87 0.04 114.38 116.41 3cpw h ARG 108 Ca 0.02 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 3cpw h ARG 108 Cb 0.22 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.81 3cpw h ARG 108 CO -0.07 -0.35 0.63 1.49 -1.51 0.00 0.00 179.97 180.16 3cpw h GLU 109 N -0.54 0.97 -0.33 0.20 4.81 -1.14 0.32 114.58 118.87 3cpw h GLU 109 Ca -0.03 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3cpw h GLU 109 Cb 0.46 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3cpw h GLU 109 CO 0.01 0.64 0.13 0.00 -0.73 0.00 0.00 179.01 179.06 3cpw h ALA 110 N 1.53 0.43 -0.20 2.92 0.00 -0.04 -1.78 119.26 122.11 3cpw h ALA 110 Ca 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3cpw h ALA 110 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3cpw h ALA 110 CO -0.26 0.02 0.13 0.00 0.00 0.00 0.00 179.25 179.14 3cpw h ARG 111 N 0.38 0.26 -0.88 0.00 3.08 0.06 -1.17 114.38 116.11 3cpw h ARG 111 Ca 0.11 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.22 3cpw h ARG 111 Cb 0.18 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 3cpw h ARG 111 CO -0.01 0.17 0.53 -0.07 -1.07 0.00 0.00 179.97 179.52 3cpw h LEU 112 N 0.27 0.81 -0.16 3.04 3.38 -0.81 -2.99 115.31 118.85 3cpw h LEU 112 Ca 0.07 0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 3cpw h LEU 112 Cb -0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3cpw h LEU 112 CO -0.02 0.49 -0.97 -0.33 0.09 0.00 0.00 178.44 177.70 3cpw h GLU 113 N 0.93 0.33 -7.12 1.13 5.08 -0.99 -3.46 114.58 110.47 3cpw h GLU 113 Ca 0.40 -0.38 -0.50 0.00 -1.00 0.00 0.00 59.36 57.88 3cpw h GLU 113 Cb 0.28 0.12 0.21 0.00 0.50 0.00 0.00 28.75 29.85 3cpw h GLU 113 CO -0.21 1.08 -0.05 -1.13 -1.00 0.00 0.00 179.01 177.70 3cpw n SER 114 N -3.69 -0.72 -0.00 1.42 3.41 -0.47 -4.95 113.62 108.62 3cpw n SER 114 Ca -0.06 0.24 0.06 0.00 -0.26 0.00 0.00 58.87 58.84 3cpw n SER 114 Cb 0.86 -1.35 -0.07 0.00 -0.26 0.00 0.00 64.21 63.39 3cpw n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3cpw n GLU 115 N -3.87 2.92 0.00 4.33 0.28 -1.26 -4.46 120.64 118.58 3cpw n GLU 115 Ca 0.08 -0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.19 3cpw n GLU 115 Cb 0.53 -1.08 0.06 0.00 1.43 0.00 0.00 31.44 32.39 3cpw n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3cpw n ASP 116 N -1.32 1.23 -4.07 -1.84 8.00 -1.26 -4.93 116.55 112.35 3cpw n ASP 116 Ca 0.02 -1.01 -0.13 0.00 0.71 0.00 0.00 54.79 54.39 3cpw n ASP 116 Cb 0.19 0.57 -0.11 0.00 -0.02 0.00 0.00 41.12 41.75 3cpw n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cpw s ASP 117 N -2.76 0.89 0.01 -2.24 -1.08 -1.26 -5.16 116.67 105.07 3cpw s ASP 117 Ca 0.14 -0.60 0.07 0.00 -0.52 0.00 0.00 52.55 51.64 3cpw s ASP 117 Cb 0.17 0.04 -0.03 0.00 -1.46 0.00 0.00 42.92 41.65 3cpw s ASP 117 CO 0.69 -0.23 -0.20 -0.94 0.52 0.00 0.00 175.17 175.01 3cpw s SER 118 N -1.73 3.59 0.00 -0.34 1.04 -1.26 -4.68 113.70 110.31 3cpw s SER 118 Ca -0.08 -0.41 0.15 0.00 0.48 0.00 0.00 55.95 56.09 3cpw s SER 118 Cb -0.08 -0.55 0.12 0.00 0.10 0.00 0.00 66.02 65.60 3cpw s SER 118 CO -0.00 0.29 0.97 0.00 0.98 0.00 0.00 173.24 175.47