#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlx s SER 2 N 0.00 2.84 0.25 1.61 0.01 -1.26 -5.17 113.70 111.98 2dlx s SER 2 Ca 0.00 -1.65 -0.21 0.00 1.31 0.00 0.00 55.95 55.40 2dlx s SER 2 Cb 0.00 0.46 0.06 0.00 0.21 0.00 0.00 66.02 66.75 2dlx s SER 2 CO 0.00 -0.90 0.90 -0.55 0.41 0.00 0.00 173.24 173.09 2dlx s SER 3 N -3.61 -0.08 -0.12 2.44 0.15 -1.26 -5.19 113.70 106.03 2dlx s SER 3 Ca 0.24 -0.74 -0.33 0.00 0.70 0.00 0.00 55.95 55.82 2dlx s SER 3 Cb 0.03 0.64 0.13 0.00 -1.71 0.00 0.00 66.02 65.10 2dlx s SER 3 CO 0.14 -1.23 1.11 -0.83 1.20 0.00 0.00 173.24 173.62 2dlx s GLY 4 N -3.12 -0.35 0.17 9.45 0.00 -1.26 -5.19 107.32 107.02 2dlx s GLY 4 Ca 0.16 1.35 -0.23 0.00 0.00 0.00 0.00 44.72 46.00 2dlx s GLY 4 CO 0.07 0.45 0.71 -1.35 0.00 0.00 0.00 173.10 172.97 2dlx s SER 5 N -2.32 -0.42 0.16 1.64 1.04 -1.26 -5.19 113.70 107.36 2dlx s SER 5 Ca 0.08 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.22 2dlx s SER 5 Cb -0.01 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 2dlx s SER 5 CO -0.06 -1.02 0.26 -0.55 0.98 0.00 0.00 173.24 172.86 2dlx s SER 6 N -2.78 0.06 0.00 7.02 0.15 -1.26 -5.13 113.70 111.77 2dlx s SER 6 Ca 0.05 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2dlx s SER 6 Cb -0.02 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2dlx s SER 6 CO -0.05 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.12 2dlx n GLY 7 N -0.20 -0.28 0.12 9.45 0.00 -1.26 -5.08 105.19 107.94 2dlx n GLY 7 Ca -0.07 0.58 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 2dlx n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dlx n ILE 8 N 0.00 1.59 -3.06 -0.61 5.41 -1.26 -4.93 119.36 116.50 2dlx n ILE 8 Ca 0.00 -0.31 -0.36 0.00 1.00 0.00 0.00 62.75 63.08 2dlx n ILE 8 Cb 0.00 -1.87 -0.06 0.00 -0.71 0.00 0.00 39.64 37.00 2dlx n ILE 8 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2dlx s ASP 9 N -7.01 7.08 -0.21 4.38 1.01 -1.26 -5.07 116.67 115.60 2dlx s ASP 9 Ca -0.30 1.46 -0.04 0.00 0.71 0.00 0.00 52.55 54.39 2dlx s ASP 9 Cb 0.08 -2.44 0.11 0.00 1.01 0.00 0.00 42.92 41.68 2dlx s ASP 9 CO 0.61 0.01 0.32 -0.54 0.21 0.00 0.00 175.17 175.79 2dlx s LYS 10 N -2.02 0.27 -0.16 8.23 3.01 -1.26 -5.13 119.74 122.69 2dlx s LYS 10 Ca 0.44 0.53 -0.02 0.00 -1.01 0.00 0.00 55.97 55.91 2dlx s LYS 10 Cb -0.17 -0.53 0.05 0.00 -1.01 0.00 0.00 37.83 36.17 2dlx s LYS 10 CO 0.21 -0.55 0.02 0.15 0.51 0.00 0.00 175.35 175.69 2dlx s LYS 11 N 2.47 0.71 0.23 1.68 3.01 -1.26 -5.13 119.74 121.45 2dlx s LYS 11 Ca 0.08 -0.29 -0.09 0.00 -1.01 0.00 0.00 55.97 54.66 2dlx s LYS 11 Cb -0.15 -1.81 -0.02 0.00 -1.01 0.00 0.00 37.83 34.85 2dlx s LYS 11 CO -0.13 -0.54 0.36 -0.51 0.51 0.00 0.00 175.35 175.04 2dlx s LEU 12 N 1.87 0.60 0.22 3.17 1.43 -1.26 -5.17 118.68 119.54 2dlx s LEU 12 Ca 0.01 -1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 51.98 2dlx s LEU 12 Cb -0.16 1.30 -0.05 0.00 0.03 0.00 0.00 46.19 47.31 2dlx s LEU 12 CO -0.07 -1.04 0.46 0.42 0.23 0.00 0.00 176.35 176.35 2dlx s THR 13 N -4.06 5.11 -0.16 5.49 -4.23 -1.26 -5.05 115.64 111.48 2dlx s THR 13 Ca 0.28 -0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.61 2dlx s THR 13 Cb 0.02 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2dlx s THR 13 CO 0.10 -0.17 -0.25 0.35 -0.54 0.00 0.00 174.62 174.11 2dlx n THR 14 N -0.53 1.42 -3.53 3.99 -2.24 -1.26 -4.97 114.28 107.16 2dlx n THR 14 Ca -0.03 0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.76 2dlx n THR 14 Cb 0.53 -2.35 -0.13 0.00 -2.10 0.00 0.00 70.33 66.28 2dlx n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dlx s LEU 15 N -7.99 -0.09 0.23 3.22 1.43 -1.26 -5.15 118.68 109.07 2dlx s LEU 15 Ca -0.21 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 2dlx s LEU 15 Cb 0.03 0.35 -0.03 0.00 0.03 0.00 0.00 46.19 46.58 2dlx s LEU 15 CO 0.31 -0.31 0.25 0.00 0.23 0.00 0.00 176.35 176.83 2dlx s ALA 16 N 2.32 0.83 0.56 4.21 0.00 -1.26 -5.18 121.76 123.24 2dlx s ALA 16 Ca 0.06 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 50.59 2dlx s ALA 16 Cb -0.15 1.30 0.07 0.00 0.00 0.00 0.00 23.12 24.34 2dlx s ALA 16 CO -0.11 -0.67 0.62 0.34 0.00 0.00 0.00 175.76 175.94 2dlx s ASP 17 N -3.14 4.88 0.00 0.00 2.15 -1.26 -5.08 116.67 114.23 2dlx s ASP 17 Ca 0.34 -1.03 0.00 0.00 0.43 0.00 0.00 52.55 52.29 2dlx s ASP 17 Cb 0.04 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 2dlx s ASP 17 CO 0.13 -1.25 0.77 0.18 -0.17 0.00 0.00 175.17 174.83 2dlx n LEU 18 N -2.03 0.00 -3.07 -1.34 7.99 -1.26 -4.92 117.00 112.37 2dlx n LEU 18 Ca 0.08 0.88 -0.21 0.00 -0.01 0.00 0.00 56.01 56.75 2dlx n LEU 18 Cb 0.63 -0.50 0.05 0.00 -0.11 0.00 0.00 43.42 43.49 2dlx n LEU 18 CO 0.39 -0.50 0.11 0.49 -1.51 0.00 0.00 177.39 176.38 2dlx n PHE 19 N -1.99 -2.23 -3.63 -1.77 3.01 -1.26 -4.99 117.46 104.60 2dlx n PHE 19 Ca 0.00 0.70 -0.15 0.00 1.01 0.00 0.00 57.45 59.02 2dlx n PHE 19 Cb 0.00 -4.49 -0.07 0.00 -0.01 0.00 0.00 39.48 34.92 2dlx n PHE 19 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2dlx s ARG 20 N -5.90 0.92 0.99 -1.08 0.52 -1.26 -5.17 118.95 107.96 2dlx s ARG 20 Ca 0.41 -0.13 -0.12 0.00 -0.52 0.00 0.00 55.73 55.36 2dlx s ARG 20 Cb -0.18 0.42 0.18 0.00 0.52 0.00 0.00 34.95 35.89 2dlx s ARG 20 CO 0.50 -0.30 1.09 -1.25 0.02 0.00 0.00 175.30 175.37 2dlx s PRO 21 N -1.84 0.52 -0.67 3.54 0.04 -1.26 -4.91 135.00 130.42 2dlx s PRO 21 Ca -0.09 0.55 -0.26 0.00 0.04 0.00 0.00 61.00 61.24 2dlx s PRO 21 Cb -0.02 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2dlx s PRO 21 CO 0.03 -2.68 1.88 -1.25 0.04 0.00 0.00 177.00 175.02 2dlx s PRO 22 N -4.96 2.61 0.00 0.56 0.04 -1.26 -4.74 135.00 127.24 2dlx s PRO 22 Ca 0.65 0.42 0.10 0.00 0.04 0.00 0.00 61.00 62.21 2dlx s PRO 22 Cb -0.18 -4.53 0.16 0.00 0.04 0.00 0.00 34.50 29.99 2dlx s PRO 22 CO 0.57 -2.87 0.99 0.44 0.04 0.00 0.00 177.00 176.18 2dlx n ILE 23 N 7.35 0.44 -0.30 0.56 -6.64 -1.26 -4.70 119.36 114.82 2dlx n ILE 23 Ca 0.24 -0.72 0.14 0.00 -1.77 0.00 0.00 62.75 60.64 2dlx n ILE 23 Cb 0.51 0.89 0.27 0.00 -1.44 0.00 0.00 39.64 39.88 2dlx n ILE 23 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 2dlx n ASP 24 N 0.47 -0.07 -0.07 7.28 9.92 -1.26 -1.44 116.55 131.39 2dlx n ASP 24 Ca 0.08 1.46 -0.07 0.00 -0.53 0.00 0.00 54.79 55.72 2dlx n ASP 24 Cb 0.31 -0.55 -0.05 0.00 -0.64 0.00 0.00 41.12 40.20 2dlx n ASP 24 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2dlx h LEU 25 N 0.00 0.00 -8.92 0.64 5.85 -1.92 -3.45 115.31 107.51 2dlx h LEU 25 Ca 0.54 -0.29 -0.58 0.00 0.84 0.00 0.00 57.88 58.39 2dlx h LEU 25 Cb 1.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2dlx h LEU 25 CO -0.80 0.80 1.29 -0.04 -0.34 0.00 0.00 178.44 179.35 2dlx s MET 26 N -1.97 3.38 -0.21 1.25 -1.94 -0.52 -4.47 119.30 114.82 2dlx s MET 26 Ca -0.11 1.57 -0.05 0.00 -1.71 0.00 0.00 55.69 55.38 2dlx s MET 26 Cb 0.01 -4.20 -0.02 0.00 2.01 0.00 0.00 34.83 32.62 2dlx s MET 26 CO 0.28 -1.81 0.01 -1.58 -0.01 0.00 0.00 175.02 171.91 2dlx s HIS 27 N 6.84 3.04 -0.03 -0.03 5.04 -1.25 -4.70 115.29 124.19 2dlx s HIS 27 Ca 0.82 -0.51 0.06 0.00 -1.54 0.00 0.00 55.06 53.89 2dlx s HIS 27 Cb -0.25 -2.12 -0.01 0.00 0.04 0.00 0.00 32.58 30.24 2dlx s HIS 27 CO 0.34 -0.30 -0.21 0.21 -2.34 0.00 0.00 174.74 172.43 2dlx s LYS 28 N 1.19 1.86 0.00 2.88 2.47 -1.26 -4.84 119.74 122.04 2dlx s LYS 28 Ca 0.03 -0.74 0.00 0.00 -1.56 0.00 0.00 55.97 53.70 2dlx s LYS 28 Cb -0.14 -1.71 0.00 0.00 -1.46 0.00 0.00 37.83 34.51 2dlx s LYS 28 CO 0.01 0.39 0.00 0.41 0.16 0.00 0.00 175.35 176.33 2dlx n GLY 29 N 2.76 0.21 3.89 5.54 0.00 -1.26 -5.13 105.19 111.20 2dlx n GLY 29 Ca -0.16 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 2dlx n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlx s SER 30 N -4.00 5.64 -0.02 1.61 0.15 -1.26 -5.01 113.70 110.81 2dlx s SER 30 Ca 0.00 1.07 -0.23 0.00 0.70 0.00 0.00 55.95 57.49 2dlx s SER 30 Cb 0.00 -1.98 -0.22 0.00 -1.71 0.00 0.00 66.02 62.12 2dlx s SER 30 CO 0.00 -1.16 1.11 2.19 1.20 0.00 0.00 173.24 176.57 2dlx h PHE 31 N -0.45 0.33 -0.98 3.44 -0.00 -2.00 -3.22 116.94 114.06 2dlx h PHE 31 Ca -0.45 -0.16 0.25 0.00 -0.00 0.00 0.00 57.97 57.61 2dlx h PHE 31 Cb 1.24 -0.05 -0.07 0.00 -0.00 0.00 0.00 35.95 37.07 2dlx h PHE 31 CO 0.52 0.92 0.65 1.49 -0.00 0.00 0.00 178.31 181.89 2dlx h GLU 32 N -0.35 0.31 0.31 6.09 4.81 -2.02 -1.26 114.58 122.46 2dlx h GLU 32 Ca -0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2dlx h GLU 32 Cb 0.97 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 2dlx h GLU 32 CO 0.06 0.21 -0.24 1.15 -0.73 0.00 0.00 179.01 179.45 2dlx h THR 33 N 0.32 0.49 -1.52 0.32 2.02 -1.96 -2.09 112.91 110.49 2dlx h THR 33 Ca 0.52 0.00 0.45 0.00 0.77 0.00 0.00 66.41 68.15 2dlx h THR 33 Cb 1.46 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 68.30 2dlx h THR 33 CO -0.19 0.00 1.09 0.00 0.37 0.00 0.00 175.52 176.79 2dlx n ALA 34 N -2.47 1.46 -0.07 6.16 0.00 -0.48 0.15 120.51 125.26 2dlx n ALA 34 Ca -0.09 0.53 -0.14 0.00 0.00 0.00 0.00 53.44 53.74 2dlx n ALA 34 Cb 0.27 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.71 2dlx n ALA 34 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dlx h LYS 35 N 0.00 0.00 -0.43 0.00 1.57 -1.48 -3.20 116.57 113.03 2dlx h LYS 35 Ca 0.74 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.51 2dlx h LYS 35 Cb 2.92 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 35.21 2dlx h LYS 35 CO -0.04 0.93 0.24 1.05 -0.57 0.00 0.00 179.45 181.06 2dlx h GLU 36 N -1.00 0.60 -0.64 3.15 4.11 0.15 -2.80 114.58 118.15 2dlx h GLU 36 Ca -0.02 -0.07 0.11 0.00 0.07 0.00 0.00 59.36 59.45 2dlx h GLU 36 Cb 0.96 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.01 2dlx h GLU 36 CO -0.01 0.48 0.21 0.00 0.07 0.00 0.00 179.01 179.75 2dlx h GLY 38 N 0.36 1.75 0.47 0.00 0.00 -1.49 0.20 103.07 104.37 2dlx h GLY 38 Ca 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2dlx h GLY 38 CO -0.36 -0.14 -0.23 1.46 0.00 0.00 0.00 176.54 177.27 2dlx h GLN 39 N 0.64 -0.61 0.01 4.80 4.20 -1.18 1.41 115.11 124.38 2dlx h GLN 39 Ca 0.61 0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.39 2dlx h GLN 39 Cb 1.11 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 2dlx h GLN 39 CO -0.41 -0.40 -0.34 0.52 -0.67 0.00 0.00 178.83 177.53 2dlx h MET 40 N -0.76 -0.48 0.00 1.46 2.86 -1.31 -0.66 114.93 116.04 2dlx h MET 40 Ca -0.06 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2dlx h MET 40 Cb 0.48 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 2dlx h MET 40 CO 0.11 -0.32 -0.07 1.96 1.06 0.00 0.00 176.91 179.65 2dlx h GLN 41 N -0.50 0.00 -5.10 1.72 1.08 -0.69 -3.47 115.11 108.15 2dlx h GLN 41 Ca 0.06 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.96 2dlx h GLN 41 Cb 0.58 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 28.15 2dlx h GLN 41 CO -0.27 0.07 -0.64 0.09 -0.95 0.00 0.00 178.83 177.14 2dlx n ASN 42 N -3.23 -2.84 -4.29 1.46 3.02 0.46 -5.02 115.26 104.81 2dlx n ASN 42 Ca -0.00 -0.51 -0.19 0.00 -0.03 0.00 0.00 54.58 53.84 2dlx n ASN 42 Cb 0.31 -4.41 -0.11 0.00 -0.61 0.00 0.00 39.78 34.96 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dlx s LYS 43 N -5.36 1.16 1.01 3.52 1.02 0.20 -4.33 119.74 116.96 2dlx s LYS 43 Ca 0.11 -1.36 -0.12 0.00 0.02 0.00 0.00 55.97 54.62 2dlx s LYS 43 Cb -0.05 -1.09 0.20 0.00 -0.52 0.00 0.00 37.83 36.37 2dlx s LYS 43 CO 0.62 0.21 1.09 -1.58 -0.92 0.00 0.00 175.35 174.77 2dlx s TRP 44 N -2.25 2.07 -0.15 3.18 0.52 0.17 -4.51 118.94 117.97 2dlx s TRP 44 Ca 0.14 0.97 -0.01 0.00 0.02 0.00 0.00 56.10 57.22 2dlx s TRP 44 Cb -0.04 -3.27 -0.01 0.00 -1.15 0.00 0.00 33.47 28.99 2dlx s TRP 44 CO 0.05 -2.97 -0.12 -1.17 0.02 0.00 0.00 176.95 172.76 2dlx s LEU 45 N -6.50 2.72 -0.21 2.99 2.96 -1.10 -0.74 118.68 118.79 2dlx s LEU 45 Ca 0.66 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2dlx s LEU 45 Cb -0.19 -1.63 0.07 0.00 0.50 0.00 0.00 46.19 44.94 2dlx s LEU 45 CO 0.58 0.13 0.05 -0.32 -1.32 0.00 0.00 176.35 175.47 2dlx s MET 46 N 0.59 0.57 0.11 1.98 1.75 -1.24 -2.84 119.30 120.22 2dlx s MET 46 Ca -0.07 -0.46 0.02 0.00 -1.25 0.00 0.00 55.69 53.92 2dlx s MET 46 Cb -0.15 -2.01 -0.04 0.00 2.84 0.00 0.00 34.83 35.47 2dlx s MET 46 CO 0.03 -0.71 0.24 0.42 -0.65 0.00 0.00 175.02 174.35 2dlx s ILE 47 N 1.88 5.28 -0.13 10.11 1.09 -1.26 -3.45 121.20 134.71 2dlx s ILE 47 Ca 0.01 -0.59 -0.04 0.00 -1.10 0.00 0.00 60.65 58.94 2dlx s ILE 47 Cb -0.17 -3.65 0.05 0.00 -1.06 0.00 0.00 42.46 37.63 2dlx s ILE 47 CO -0.12 0.01 0.10 0.20 -0.10 0.00 0.00 174.94 175.03 2dlx s ASN 48 N -2.90 1.81 -0.58 3.58 -0.87 -1.20 -4.40 114.94 110.38 2dlx s ASN 48 Ca 0.34 -0.32 -0.27 0.00 -1.57 0.00 0.00 52.86 51.04 2dlx s ASN 48 Cb -0.12 -0.12 0.03 0.00 -0.02 0.00 0.00 41.25 41.03 2dlx s ASN 48 CO 0.28 -0.31 1.13 -0.63 -2.57 0.00 0.00 177.10 175.00 2dlx s ILE 49 N 2.18 4.09 -0.50 0.60 -1.09 -1.25 -3.28 121.20 121.95 2dlx s ILE 49 Ca 0.03 0.70 -0.28 0.00 -2.23 0.00 0.00 60.65 58.88 2dlx s ILE 49 Cb -0.15 -4.69 0.03 0.00 -1.58 0.00 0.00 42.46 36.07 2dlx s ILE 49 CO -0.07 -1.32 1.08 0.00 -1.23 0.00 0.00 174.94 173.39 2dlx s GLN 50 N 4.75 3.59 -0.61 2.79 -2.07 -1.21 -4.68 119.66 122.22 2dlx s GLN 50 Ca 0.39 0.32 -0.28 0.00 -1.82 0.00 0.00 55.36 53.97 2dlx s GLN 50 Cb -0.09 -3.95 0.03 0.00 -1.09 0.00 0.00 33.01 27.91 2dlx s GLN 50 CO 0.23 -1.42 1.28 -0.80 -1.32 0.00 0.00 175.29 173.26 2dlx s ASN 51 N 2.55 6.30 0.41 12.60 -0.87 -1.26 -4.13 114.94 130.54 2dlx s ASN 51 Ca 0.43 0.05 0.10 0.00 -1.57 0.00 0.00 52.86 51.86 2dlx s ASN 51 Cb -0.08 -2.55 0.87 0.00 -0.02 0.00 0.00 41.25 39.47 2dlx s ASN 51 CO 0.28 -1.62 1.98 1.62 -2.57 0.00 0.00 177.10 176.79 2dlx h VAL 52 N 6.20 1.13 0.00 1.60 3.04 -1.99 -3.23 116.25 123.00 2dlx h VAL 52 Ca -0.26 -0.52 -0.07 0.00 -1.01 0.00 0.00 66.70 64.84 2dlx h VAL 52 Cb 1.07 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 2dlx h VAL 52 CO 1.20 0.17 -0.56 1.56 -1.01 0.00 0.00 177.57 178.93 2dlx h GLN 53 N 0.27 0.00 -6.83 4.17 4.20 -2.03 -3.47 115.11 111.41 2dlx h GLN 53 Ca 0.06 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.24 2dlx h GLN 53 Cb 0.22 0.00 0.21 0.00 0.30 0.00 0.00 27.48 28.20 2dlx h GLN 53 CO 0.01 0.44 -0.40 -3.47 -0.67 0.00 0.00 178.83 174.73 2dlx n ASP 54 N -4.59 -1.45 -0.08 1.46 -0.08 -1.22 -4.97 116.55 105.63 2dlx n ASP 54 Ca -0.14 0.41 -0.10 0.00 -1.51 0.00 0.00 54.79 53.46 2dlx n ASP 54 Cb 0.37 -1.25 -0.08 0.00 2.34 0.00 0.00 41.12 42.49 2dlx n ASP 54 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2dlx n PHE 55 N -3.35 0.00 -0.29 -0.67 7.35 -1.26 -4.66 117.46 114.58 2dlx n PHE 55 Ca 0.08 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.74 2dlx n PHE 55 Cb 0.52 -0.61 -0.00 0.00 0.35 0.00 0.00 39.48 39.74 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dlx n ALA 56 N -2.86 -0.22 -0.22 3.13 0.00 -1.26 -0.17 120.51 118.91 2dlx n ALA 56 Ca -0.27 0.70 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 2dlx n ALA 56 Cb 0.82 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 2dlx n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dlx n GLN 58 N -5.06 -0.31 -0.28 0.00 1.13 0.76 0.59 117.38 114.20 2dlx n GLN 58 Ca -0.01 1.20 0.05 0.00 -1.94 0.00 0.00 57.00 56.30 2dlx n GLN 58 Cb 0.28 -1.77 0.14 0.00 0.11 0.00 0.00 30.24 28.99 2dlx n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dlx h LEU 60 N 0.03 -0.36 -0.41 0.00 4.07 0.47 -0.89 115.31 118.21 2dlx h LEU 60 Ca 0.42 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.41 2dlx h LEU 60 Cb 0.70 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.56 2dlx h LEU 60 CO -0.80 -0.23 0.06 -3.20 -1.08 0.00 0.00 178.44 173.20 2dlx n ASN 61 N -5.26 0.16 0.29 -0.43 2.85 -0.04 0.25 115.26 113.07 2dlx n ASN 61 Ca -0.09 0.53 -0.16 0.00 -0.11 0.00 0.00 54.58 54.76 2dlx n ASN 61 Cb 0.18 -0.54 -0.08 0.00 1.24 0.00 0.00 39.78 40.58 2dlx n ASN 61 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2dlx h ARG 62 N 0.00 -0.70 0.00 1.20 2.43 0.05 -3.19 114.38 114.17 2dlx h ARG 62 Ca 0.00 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2dlx h ARG 62 Cb 0.13 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2dlx h ARG 62 CO 0.00 -0.41 -1.15 -0.40 -1.51 0.00 0.00 179.97 176.50 2dlx n ASP 63 N -5.35 3.94 0.01 -3.80 5.68 -0.95 -4.37 116.55 111.72 2dlx n ASP 63 Ca -0.12 -0.01 -0.00 0.00 -0.50 0.00 0.00 54.79 54.16 2dlx n ASP 63 Cb 0.32 0.08 -0.00 0.00 -1.14 0.00 0.00 41.12 40.38 2dlx n ASP 63 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2dlx h VAL 64 N 0.00 0.00 -0.08 2.12 2.07 -0.44 0.27 116.25 120.19 2dlx h VAL 64 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2dlx h VAL 64 Cb 1.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2dlx h VAL 64 CO -0.01 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.37 2dlx n TRP 65 N -2.18 0.25 -0.05 1.57 5.03 -1.07 -3.33 117.44 117.66 2dlx n TRP 65 Ca -0.00 -0.09 -0.05 0.00 3.03 0.00 0.00 57.50 60.39 2dlx n TRP 65 Cb 0.01 -0.12 -0.06 0.00 -1.03 0.00 0.00 31.31 30.10 2dlx n TRP 65 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2dlx n SER 66 N 0.03 2.94 -4.57 -0.99 2.88 -1.06 -4.92 113.62 107.92 2dlx n SER 66 Ca 0.04 -0.01 -0.44 0.00 -1.33 0.00 0.00 58.87 57.12 2dlx n SER 66 Cb 0.32 0.52 -0.04 0.00 -0.75 0.00 0.00 64.21 64.26 2dlx n SER 66 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dlx n ASN 67 N -2.43 3.04 -0.34 -3.46 2.85 0.06 -4.85 115.26 110.14 2dlx n ASN 67 Ca -0.15 0.19 -0.03 0.00 -0.11 0.00 0.00 54.58 54.48 2dlx n ASN 67 Cb 0.76 -1.51 0.02 0.00 1.24 0.00 0.00 39.78 40.29 2dlx n ASN 67 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2dlx h GLU 68 N 14.92 -0.05 -0.79 1.20 4.81 -1.92 0.32 114.58 133.08 2dlx h GLU 68 Ca -0.38 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.03 2dlx h GLU 68 Cb 1.25 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.50 2dlx h GLU 68 CO 0.98 -0.03 -0.01 0.00 -0.73 0.00 0.00 179.01 179.21 2dlx h ALA 69 N 1.20 0.80 0.00 2.92 0.00 -1.98 0.96 119.26 123.15 2dlx h ALA 69 Ca 0.30 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2dlx h ALA 69 Cb 0.57 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2dlx h ALA 69 CO -0.90 -0.44 -0.03 0.28 0.00 0.00 0.00 179.25 178.16 2dlx h VAL 70 N 0.08 0.78 0.30 0.00 2.07 -0.71 -2.12 116.25 116.66 2dlx h VAL 70 Ca 0.43 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 2dlx h VAL 70 Cb 0.77 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2dlx h VAL 70 CO -0.71 0.03 -0.14 0.11 0.02 0.00 0.00 177.57 176.87 2dlx h LYS 71 N 0.00 -0.39 -0.05 1.57 1.79 0.14 -1.46 116.57 118.18 2dlx h LYS 71 Ca -0.00 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2dlx h LYS 71 Cb 0.06 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2dlx h LYS 71 CO 0.00 -0.09 0.13 -2.95 -1.08 0.00 0.00 179.45 175.46 2dlx h ASN 72 N -0.98 0.00 0.03 0.86 7.08 -1.15 -1.79 115.58 119.62 2dlx h ASN 72 Ca -0.04 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.11 2dlx h ASN 72 Cb 0.48 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.72 2dlx h ASN 72 CO 0.07 0.00 -0.32 0.40 -2.08 0.00 0.00 177.43 175.49 2dlx h ILE 73 N 0.00 1.62 0.00 6.14 2.04 -1.34 -0.90 117.51 125.07 2dlx h ILE 73 Ca 0.02 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.52 2dlx h ILE 73 Cb 0.28 3.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2dlx h ILE 73 CO -0.00 0.59 0.00 0.40 0.00 0.00 0.00 178.15 179.14 2dlx h ILE 74 N -0.88 0.00 0.01 -0.67 2.04 -0.56 0.25 117.51 117.69 2dlx h ILE 74 Ca -0.07 -0.11 -0.41 0.00 1.00 0.00 0.00 64.86 65.27 2dlx h ILE 74 Cb 1.16 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 2dlx h ILE 74 CO -0.00 0.00 -2.29 -2.11 0.00 0.00 0.00 178.15 173.75 2dlx n ARG 75 N -2.52 0.60 0.06 2.37 1.85 -0.74 -1.05 116.66 117.24 2dlx n ARG 75 Ca -0.01 0.30 -0.02 0.00 -1.00 0.00 0.00 57.85 57.12 2dlx n ARG 75 Cb 0.12 -1.55 -0.01 0.00 -1.05 0.00 0.00 32.46 29.96 2dlx n ARG 75 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2dlx h GLU 76 N -0.79 -0.15 -0.57 2.89 4.81 -0.98 -3.36 114.58 116.41 2dlx h GLU 76 Ca -0.61 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.55 2dlx h GLU 76 Cb 1.63 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 2dlx h GLU 76 CO -0.31 -0.10 0.07 0.45 -0.73 0.00 0.00 179.01 178.38 2dlx h HIS 77 N -0.32 1.04 -0.58 0.92 3.86 -1.17 -3.44 115.15 115.46 2dlx h HIS 77 Ca -0.02 -0.15 -0.67 0.00 -1.16 0.00 0.00 60.37 58.37 2dlx h HIS 77 Cb 0.12 -0.28 -0.13 0.00 1.06 0.00 0.00 27.41 28.18 2dlx h HIS 77 CO 0.07 0.91 -0.51 -0.06 0.86 0.00 0.00 177.93 179.20 2dlx s PHE 78 N -5.15 1.83 -0.42 2.45 0.40 -0.72 0.45 117.98 116.83 2dlx s PHE 78 Ca -0.12 -1.01 -0.06 0.00 -0.60 0.00 0.00 56.93 55.14 2dlx s PHE 78 Cb 0.13 -1.55 0.10 0.00 0.51 0.00 0.00 43.02 42.20 2dlx s PHE 78 CO 0.83 0.16 0.24 0.42 0.70 0.00 0.00 175.22 177.56 2dlx s ILE 79 N -2.92 3.75 -0.39 0.64 -1.09 0.08 -2.66 121.20 118.61 2dlx s ILE 79 Ca 0.07 -1.75 -0.28 0.00 -2.23 0.00 0.00 60.65 56.46 2dlx s ILE 79 Cb 0.01 -3.43 -0.07 0.00 -1.58 0.00 0.00 42.46 37.40 2dlx s ILE 79 CO 0.04 -0.61 2.34 0.33 -1.23 0.00 0.00 174.94 175.81 2dlx n PHE 80 N 4.76 1.63 -3.50 3.97 7.35 -0.21 -3.70 117.46 127.76 2dlx n PHE 80 Ca -0.07 0.04 -0.24 0.00 -0.76 0.00 0.00 57.45 56.42 2dlx n PHE 80 Cb 0.42 -2.66 -0.13 0.00 0.35 0.00 0.00 39.48 37.45 2dlx n PHE 80 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 2dlx s TRP 81 N 10.27 0.01 0.20 -5.13 -0.00 -1.22 -3.80 118.94 119.26 2dlx s TRP 81 Ca 1.01 -0.50 0.08 0.00 -0.00 0.00 0.00 56.10 56.70 2dlx s TRP 81 Cb -0.32 -0.69 -0.04 0.00 -0.00 0.00 0.00 33.47 32.42 2dlx s TRP 81 CO 0.32 -0.80 -0.04 1.14 -0.00 0.00 0.00 176.95 177.57 2dlx s GLN 82 N 2.21 2.25 -0.11 5.86 -2.07 -1.26 -3.26 119.66 123.27 2dlx s GLN 82 Ca 0.08 -1.23 -0.25 0.00 -1.82 0.00 0.00 55.36 52.13 2dlx s GLN 82 Cb -0.15 -2.24 0.06 0.00 -1.09 0.00 0.00 33.01 29.58 2dlx s GLN 82 CO -0.30 0.43 0.61 0.14 -1.32 0.00 0.00 175.29 174.84 2dlx s VAL 83 N -1.85 0.01 0.49 3.63 -7.23 -1.20 -4.99 120.40 109.26 2dlx s VAL 83 Ca 0.27 -0.07 -0.21 0.00 -1.81 0.00 0.00 61.98 60.17 2dlx s VAL 83 Cb -0.08 -0.90 -0.08 0.00 0.56 0.00 0.00 36.38 35.87 2dlx s VAL 83 CO 0.18 -0.04 1.08 -0.31 -0.31 0.00 0.00 175.10 175.69 2dlx s TYR 84 N -0.67 2.93 -1.42 2.82 2.02 -1.26 -3.31 117.35 118.47 2dlx s TYR 84 Ca -0.07 1.57 0.00 0.00 -0.37 0.00 0.00 57.07 58.20 2dlx s TYR 84 Cb -0.02 -3.16 0.00 0.00 -0.40 0.00 0.00 41.96 38.37 2dlx s TYR 84 CO 0.06 -1.07 0.69 -2.39 -1.57 0.00 0.00 175.55 171.27 2dlx n HIS 85 N -0.90 0.00 -0.05 2.71 1.44 -1.26 -3.19 115.22 113.97 2dlx n HIS 85 Ca 0.09 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.73 2dlx n HIS 85 Cb 0.51 -0.06 -0.06 0.00 0.12 0.00 0.00 29.99 30.51 2dlx n HIS 85 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dlx n ASP 86 N -0.20 2.97 -3.53 4.39 -0.08 -1.26 -4.51 116.55 114.32 2dlx n ASP 86 Ca 0.00 -0.04 -0.30 0.00 -1.51 0.00 0.00 54.79 52.93 2dlx n ASP 86 Cb 0.14 0.13 0.28 0.00 2.34 0.00 0.00 41.12 44.01 2dlx n ASP 86 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2dlx s SER 87 N -4.79 -0.54 0.00 1.67 1.04 -1.19 -4.80 113.70 105.10 2dlx s SER 87 Ca -0.12 0.78 -0.01 0.00 0.48 0.00 0.00 55.95 57.08 2dlx s SER 87 Cb 0.04 -1.09 -0.01 0.00 0.10 0.00 0.00 66.02 65.05 2dlx s SER 87 CO 0.31 -5.03 0.78 -0.33 0.98 0.00 0.00 173.24 169.95 2dlx h GLU 88 N -3.20 -0.05 -0.65 4.02 5.08 -1.96 -2.75 114.58 115.08 2dlx h GLU 88 Ca -0.44 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.02 2dlx h GLU 88 Cb 1.33 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.48 2dlx h GLU 88 CO 0.29 -0.03 -0.46 1.05 -1.00 0.00 0.00 179.01 178.86 2dlx h GLU 89 N -0.06 -0.19 -0.85 2.33 4.11 -1.94 -0.27 114.58 117.71 2dlx h GLU 89 Ca -0.01 0.01 0.17 0.00 0.07 0.00 0.00 59.36 59.60 2dlx h GLU 89 Cb 0.04 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 29.17 2dlx h GLU 89 CO 0.01 -0.13 -0.23 0.78 0.07 0.00 0.00 179.01 179.51 2dlx h GLY 90 N -0.20 0.53 0.09 1.06 0.00 -1.68 0.52 103.07 103.39 2dlx h GLY 90 Ca 0.18 0.31 0.20 0.00 0.00 0.00 0.00 47.33 48.02 2dlx h GLY 90 CO -0.73 -0.31 0.61 1.46 0.00 0.00 0.00 176.54 177.57 2dlx h GLN 91 N -0.01 0.69 0.78 4.80 1.08 -0.73 -2.08 115.11 119.63 2dlx h GLN 91 Ca 0.39 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.52 2dlx h GLN 91 Cb 0.62 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2dlx h GLN 91 CO -0.88 0.46 -0.37 0.00 -0.95 0.00 0.00 178.83 177.09 2dlx h ARG 92 N 0.71 -1.00 -0.90 1.46 2.47 0.22 -2.90 114.38 114.44 2dlx h ARG 92 Ca 0.58 0.07 0.34 0.00 -1.26 0.00 0.00 59.98 59.71 2dlx h ARG 92 Cb 0.98 0.23 -0.16 0.00 -1.65 0.00 0.00 29.97 29.37 2dlx h ARG 92 CO -0.38 -0.66 0.34 0.98 0.56 0.00 0.00 179.97 180.81 2dlx n TYR 93 N -5.51 0.90 0.18 3.04 9.36 -0.80 -0.39 117.16 123.94 2dlx n TYR 93 Ca -0.14 1.06 -0.12 0.00 3.32 0.00 0.00 57.90 62.02 2dlx n TYR 93 Cb 0.42 -1.38 -0.07 0.00 -0.63 0.00 0.00 39.34 37.69 2dlx n TYR 93 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2dlx h ILE 94 N 0.00 0.00 -0.79 2.97 2.04 -1.37 -2.45 117.51 117.91 2dlx h ILE 94 Ca 0.69 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.62 2dlx h ILE 94 Cb 1.74 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2dlx h ILE 94 CO -0.74 0.00 0.52 0.06 0.00 0.00 0.00 178.15 177.99 2dlx h GLN 95 N -0.67 0.84 -0.50 2.37 3.07 -0.74 1.70 115.11 121.18 2dlx h GLN 95 Ca -0.04 -0.05 0.06 0.00 0.09 0.00 0.00 58.65 58.71 2dlx h GLN 95 Cb 0.60 -0.19 -0.09 0.00 0.08 0.00 0.00 27.48 27.88 2dlx h GLN 95 CO -0.08 0.55 -0.54 0.35 0.09 0.00 0.00 178.83 179.21 2dlx h PHE 96 N 0.86 -1.66 -0.45 0.06 3.04 -0.56 -2.21 116.94 116.03 2dlx h PHE 96 Ca 0.34 0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.37 2dlx h PHE 96 Cb 0.22 0.79 0.00 0.00 2.56 0.00 0.00 35.95 39.51 2dlx h PHE 96 CO -0.00 -0.47 0.00 0.66 -2.02 0.00 0.00 178.31 176.48 2dlx n TYR 97 N -5.37 0.60 -3.56 0.41 4.02 -1.06 -4.97 117.16 107.22 2dlx n TYR 97 Ca -0.02 -0.46 -0.20 0.00 -0.01 0.00 0.00 57.90 57.20 2dlx n TYR 97 Cb 0.33 -0.02 0.07 0.00 -0.02 0.00 0.00 39.34 39.71 2dlx n TYR 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2dlx n LYS 98 N 0.93 -6.42 -1.42 -0.72 4.76 0.54 -4.91 118.16 110.92 2dlx n LYS 98 Ca 0.16 0.77 -0.37 0.00 -2.87 0.00 0.00 58.31 56.00 2dlx n LYS 98 Cb 0.49 -5.68 0.06 0.00 -1.84 0.00 0.00 35.03 28.06 2dlx n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2dlx n LEU 99 N -4.38 1.88 0.00 -0.35 0.00 0.94 -4.91 117.00 110.18 2dlx n LEU 99 Ca -0.21 0.69 0.00 0.00 0.00 0.00 0.00 56.01 56.49 2dlx n LEU 99 Cb 0.64 -1.27 0.00 0.00 0.00 0.00 0.00 43.42 42.79 2dlx n LEU 99 CO 0.65 -2.66 0.00 0.61 0.00 0.00 0.00 177.39 175.99 2dlx n GLY 100 N 1.53 0.07 3.63 -3.96 0.00 -1.26 -4.90 105.19 100.29 2dlx n GLY 100 Ca 0.12 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2dlx n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dlx s ASP 101 N -1.41 3.91 0.04 1.61 1.01 -1.26 -5.16 116.67 115.40 2dlx s ASP 101 Ca 0.00 -1.39 -0.04 0.00 0.71 0.00 0.00 52.55 51.83 2dlx s ASP 101 Cb 0.00 -0.33 -0.02 0.00 1.01 0.00 0.00 42.92 43.58 2dlx s ASP 101 CO 0.00 -0.48 0.06 -0.36 0.21 0.00 0.00 175.17 174.60 2dlx s PHE 102 N -2.72 0.24 1.05 4.23 0.40 -1.26 -4.34 117.98 115.59 2dlx s PHE 102 Ca 0.33 -0.56 -0.14 0.00 -0.60 0.00 0.00 56.93 55.96 2dlx s PHE 102 Cb 0.09 -0.18 0.22 0.00 0.51 0.00 0.00 43.02 43.66 2dlx s PHE 102 CO 0.17 -0.34 1.10 -1.25 0.70 0.00 0.00 175.22 175.60 2dlx s PRO 103 N -2.55 -0.00 -0.05 0.24 0.04 -1.26 -4.98 135.00 126.44 2dlx s PRO 103 Ca -0.06 0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.35 2dlx s PRO 103 Cb -0.02 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.85 2dlx s PRO 103 CO -0.04 -2.99 -0.01 -0.47 0.04 0.00 0.00 177.00 173.53 2dlx s TYR 104 N -2.98 0.57 -0.05 0.56 6.14 -1.26 -4.80 117.35 115.54 2dlx s TYR 104 Ca 0.67 -0.12 -0.03 0.00 0.64 0.00 0.00 57.07 58.23 2dlx s TYR 104 Cb -0.17 -0.65 0.03 0.00 0.42 0.00 0.00 41.96 41.58 2dlx s TYR 104 CO 0.57 -0.24 0.12 0.08 0.64 0.00 0.00 175.55 176.72 2dlx s VAL 105 N 1.47 -0.03 -0.18 3.14 1.01 -1.22 -3.93 120.40 120.66 2dlx s VAL 105 Ca -0.03 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.91 2dlx s VAL 105 Cb -0.13 -0.19 0.05 0.00 0.00 0.00 0.00 36.38 36.11 2dlx s VAL 105 CO -0.03 0.05 0.47 -0.94 0.00 0.00 0.00 175.10 174.64 2dlx s SER 106 N 0.73 -0.50 -0.14 3.32 1.04 -1.26 -2.39 113.70 114.49 2dlx s SER 106 Ca -0.06 0.95 -0.11 0.00 0.48 0.00 0.00 55.95 57.21 2dlx s SER 106 Cb -0.07 0.94 -0.05 0.00 0.10 0.00 0.00 66.02 66.94 2dlx s SER 106 CO -0.03 -0.17 0.23 -0.63 0.98 0.00 0.00 173.24 173.62 2dlx s ILE 107 N 0.40 5.35 0.20 -1.02 1.01 -1.15 -4.18 121.20 121.81 2dlx s ILE 107 Ca -0.01 0.41 0.02 0.00 0.00 0.00 0.00 60.65 61.07 2dlx s ILE 107 Cb -0.04 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2dlx s ILE 107 CO -0.01 0.48 0.01 -0.76 0.00 0.00 0.00 174.94 174.66 2dlx s LEU 108 N -0.12 2.07 -0.16 2.97 1.02 -1.13 -1.89 118.68 121.44 2dlx s LEU 108 Ca 0.15 -1.22 -0.13 0.00 0.02 0.00 0.00 54.13 52.95 2dlx s LEU 108 Cb -0.13 -0.12 -0.05 0.00 0.02 0.00 0.00 46.19 45.92 2dlx s LEU 108 CO 0.04 -0.57 0.26 -0.62 0.02 0.00 0.00 176.35 175.48 2dlx s ASP 109 N -3.24 6.41 0.00 2.29 -1.08 -1.23 -2.71 116.67 117.11 2dlx s ASP 109 Ca 0.27 0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.93 2dlx s ASP 109 Cb 0.06 -2.16 0.78 0.00 -1.46 0.00 0.00 42.92 40.13 2dlx s ASP 109 CO 0.07 0.14 1.40 -0.81 0.52 0.00 0.00 175.17 176.49 2dlx n PRO 110 N 3.40 0.25 -0.12 4.34 -0.04 -1.26 0.10 135.00 141.67 2dlx n PRO 110 Ca -0.13 0.12 -0.24 0.00 -0.04 0.00 0.00 63.50 63.21 2dlx n PRO 110 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 2dlx n PRO 110 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dlx n ARG 111 N -1.24 0.57 -0.10 0.54 1.74 -1.26 -4.51 116.66 112.40 2dlx n ARG 111 Ca 0.08 0.32 -0.20 0.00 -0.77 0.00 0.00 57.85 57.28 2dlx n ARG 111 Cb 0.11 -1.54 -0.12 0.00 -1.02 0.00 0.00 32.46 29.89 2dlx n ARG 111 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dlx n THR 112 N -4.33 1.55 -2.04 0.55 -2.24 -1.20 -5.03 114.28 101.54 2dlx n THR 112 Ca -0.43 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 2dlx n THR 112 Cb 0.77 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 2dlx n THR 112 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dlx n GLY 113 N 2.11 0.91 3.54 3.38 0.00 0.28 -4.98 105.19 110.42 2dlx n GLY 113 Ca -0.44 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2dlx n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dlx s GLN 114 N -4.12 2.53 0.00 1.61 0.74 -1.26 -4.82 119.66 114.35 2dlx s GLN 114 Ca 0.00 -0.70 -0.30 0.00 0.05 0.00 0.00 55.36 54.41 2dlx s GLN 114 Cb 0.00 -2.45 -0.06 0.00 1.10 0.00 0.00 33.01 31.60 2dlx s GLN 114 CO 0.00 0.62 1.50 0.21 -0.55 0.00 0.00 175.29 177.07 2dlx s LYS 115 N -1.05 4.24 -0.20 1.67 2.36 -1.26 -3.50 119.74 122.00 2dlx s LYS 115 Ca 0.14 2.08 0.07 0.00 -2.55 0.00 0.00 55.97 55.71 2dlx s LYS 115 Cb -0.11 -3.66 -0.17 0.00 -1.05 0.00 0.00 37.83 32.85 2dlx s LYS 115 CO 0.04 -0.67 -0.11 1.28 1.55 0.00 0.00 175.35 177.44 2dlx n LEU 116 N 5.78 1.93 -4.01 5.43 4.77 -0.79 -5.03 117.00 125.07 2dlx n LEU 116 Ca 0.15 -0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 2dlx n LEU 116 Cb 0.43 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 2dlx n LEU 116 CO 0.60 0.72 -0.34 0.68 -1.33 0.00 0.00 177.39 177.71 2dlx s VAL 117 N -2.43 0.15 -0.04 4.08 -7.23 -1.25 -5.04 120.40 108.64 2dlx s VAL 117 Ca -0.22 -1.26 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 2dlx s VAL 117 Cb 0.07 -0.79 0.03 0.00 0.56 0.00 0.00 36.38 36.25 2dlx s VAL 117 CO 0.58 -0.69 0.04 -1.83 -0.31 0.00 0.00 175.10 172.88 2dlx s GLU 118 N -2.48 0.06 -0.11 4.82 -1.05 -1.26 -2.95 118.70 115.73 2dlx s GLU 118 Ca -0.06 0.25 0.01 0.00 -0.15 0.00 0.00 54.97 55.02 2dlx s GLU 118 Cb -0.02 -0.48 0.02 0.00 -0.44 0.00 0.00 34.13 33.20 2dlx s GLU 118 CO -0.05 -0.25 -0.14 -1.58 0.95 0.00 0.00 175.26 174.19 2dlx s TRP 119 N 1.68 1.88 -0.04 4.83 0.51 -1.01 -5.03 118.94 121.76 2dlx s TRP 119 Ca -0.01 -0.91 -0.23 0.00 -2.12 0.00 0.00 56.10 52.84 2dlx s TRP 119 Cb -0.13 -1.39 -0.25 0.00 -0.81 0.00 0.00 33.47 30.90 2dlx s TRP 119 CO -0.03 -0.49 1.02 1.25 -0.51 0.00 0.00 176.95 178.19 2dlx h HIS 120 N 7.59 0.39 -4.42 -1.98 2.76 -1.88 -3.23 115.15 114.39 2dlx h HIS 120 Ca -0.32 -0.23 -0.69 0.00 -2.20 0.00 0.00 60.37 56.94 2dlx h HIS 120 Cb 1.16 -0.04 -0.28 0.00 1.55 0.00 0.00 27.41 29.80 2dlx h HIS 120 CO 0.48 1.06 -0.88 -0.65 -1.30 0.00 0.00 177.93 176.63 2dlx s GLN 121 N -3.01 1.89 0.03 5.26 -0.21 -1.26 -4.30 119.66 118.07 2dlx s GLN 121 Ca -0.15 -1.01 0.05 0.00 0.02 0.00 0.00 55.36 54.27 2dlx s GLN 121 Cb 0.01 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 32.04 2dlx s GLN 121 CO 0.78 0.52 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.80 2dlx s LEU 122 N -0.96 2.15 0.25 2.90 2.01 -1.26 -4.96 118.68 118.81 2dlx s LEU 122 Ca 0.11 -0.45 0.01 0.00 0.01 0.00 0.00 54.13 53.81 2dlx s LEU 122 Cb -0.10 -0.72 -0.04 0.00 0.01 0.00 0.00 46.19 45.34 2dlx s LEU 122 CO 0.01 0.08 0.13 -0.62 1.01 0.00 0.00 176.35 176.96 2dlx s ASP 123 N -1.05 0.85 0.08 2.29 2.15 -1.26 -4.91 116.67 114.82 2dlx s ASP 123 Ca 0.04 -1.44 -0.25 0.00 0.43 0.00 0.00 52.55 51.33 2dlx s ASP 123 Cb -0.08 0.31 -0.16 0.00 -0.30 0.00 0.00 42.92 42.70 2dlx s ASP 123 CO 0.01 -0.82 1.70 0.58 -0.17 0.00 0.00 175.17 176.47 2dlx h VAL 124 N 2.44 0.86 0.00 1.11 2.07 -1.92 0.45 116.25 121.26 2dlx h VAL 124 Ca -0.36 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 2dlx h VAL 124 Cb 1.25 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2dlx h VAL 124 CO 0.55 0.01 -0.40 -1.28 0.02 0.00 0.00 177.57 176.46 2dlx h SER 125 N -0.22 0.35 0.71 0.57 0.87 -1.98 -3.04 113.55 110.81 2dlx h SER 125 Ca -0.02 -0.78 -0.03 0.00 -1.23 0.00 0.00 61.79 59.72 2dlx h SER 125 Cb 0.17 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2dlx h SER 125 CO 0.03 1.09 -0.36 0.28 -0.53 0.00 0.00 176.83 177.34 2dlx h SER 126 N -0.35 -0.86 -0.13 6.23 0.02 -1.96 0.13 113.55 116.62 2dlx h SER 126 Ca -0.05 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2dlx h SER 126 Cb 1.15 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 2dlx h SER 126 CO 0.08 -0.60 -0.35 0.15 -1.14 0.00 0.00 176.83 174.97 2dlx h PHE 127 N -0.98 -1.04 -0.16 3.45 3.04 -0.24 0.26 116.94 121.26 2dlx h PHE 127 Ca -0.10 0.04 0.05 0.00 3.98 0.00 0.00 57.97 61.95 2dlx h PHE 127 Cb 0.76 0.47 -0.06 0.00 2.56 0.00 0.00 35.95 39.68 2dlx h PHE 127 CO -0.04 -0.34 -0.24 -0.07 -2.02 0.00 0.00 178.31 175.61 2dlx h LEU 128 N -0.34 -0.74 -0.65 0.59 3.38 -1.55 0.23 115.31 116.23 2dlx h LEU 128 Ca 0.03 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.26 2dlx h LEU 128 Cb 0.42 0.34 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 2dlx h LEU 128 CO -0.30 -0.28 0.04 -0.78 0.09 0.00 0.00 178.44 177.21 2dlx h ASP 129 N -0.28 -0.21 0.42 -0.43 3.58 -0.26 0.24 116.42 119.48 2dlx h ASP 129 Ca 0.11 0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 2dlx h ASP 129 Cb 0.45 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2dlx h ASP 129 CO -0.33 -0.10 -0.20 1.56 -2.88 0.00 0.00 179.24 177.29 2dlx h GLN 130 N 0.15 -0.55 -0.61 0.28 4.20 0.35 -2.65 115.11 116.28 2dlx h GLN 130 Ca 0.35 0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.18 2dlx h GLN 130 Cb 0.57 0.12 -0.11 0.00 0.30 0.00 0.00 27.48 28.37 2dlx h GLN 130 CO -0.53 -0.37 -0.47 0.28 -0.67 0.00 0.00 178.83 177.07 2dlx h VAL 131 N -0.78 0.06 -0.98 -0.54 2.07 -0.36 0.56 116.25 116.28 2dlx h VAL 131 Ca -0.06 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.71 2dlx h VAL 131 Cb 0.44 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 2dlx h VAL 131 CO 0.10 0.00 0.65 0.71 0.02 0.00 0.00 177.57 179.05 2dlx h THR 132 N -0.22 0.58 0.04 2.57 1.35 -0.61 0.11 112.91 116.73 2dlx h THR 132 Ca 0.17 -0.11 -0.12 0.00 -0.55 0.00 0.00 66.41 65.80 2dlx h THR 132 Cb 0.56 0.23 0.01 0.00 -1.73 0.00 0.00 68.15 67.22 2dlx h THR 132 CO -0.71 0.06 -0.48 1.23 -0.25 0.00 0.00 175.52 175.36 2dlx h GLY 133 N 0.32 0.29 0.96 5.82 0.00 0.30 -3.24 103.07 107.51 2dlx h GLY 133 Ca 0.52 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2dlx h GLY 133 CO -0.19 0.51 -0.01 -2.75 0.00 0.00 0.00 176.54 174.11 2dlx h PHE 134 N -0.41 -0.02 -0.77 5.60 3.04 0.69 0.21 116.94 125.27 2dlx h PHE 134 Ca -0.07 -0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.06 2dlx h PHE 134 Cb 1.28 0.01 -0.13 0.00 2.56 0.00 0.00 35.95 39.67 2dlx h PHE 134 CO 0.19 0.03 0.11 -0.07 -2.02 0.00 0.00 178.31 176.55 2dlx h LEU 135 N -0.06 -0.15 0.03 0.59 3.38 -0.97 0.25 115.31 118.37 2dlx h LEU 135 Ca -0.00 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2dlx h LEU 135 Cb 0.06 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dlx h LEU 135 CO 0.00 -0.13 -0.01 1.23 0.09 0.00 0.00 178.44 179.62 2dlx h GLY 136 N 0.18 -0.04 0.02 0.83 0.00 -1.52 0.48 103.07 103.01 2dlx h GLY 136 Ca 0.44 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.86 2dlx h GLY 136 CO -0.61 -0.01 -0.29 0.83 0.00 0.00 0.00 176.54 176.46 2dlx h GLU 137 N -0.84 -0.27 0.00 4.80 5.08 -0.06 -3.25 114.58 120.05 2dlx h GLU 137 Ca -0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2dlx h GLU 137 Cb 0.72 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2dlx h GLU 137 CO 0.01 -0.18 -0.16 0.45 -1.00 0.00 0.00 179.01 178.13 2dlx h HIS 138 N -0.28 0.00 0.00 4.33 3.86 -0.65 -3.51 115.15 118.90 2dlx h HIS 138 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2dlx h HIS 138 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2dlx h HIS 138 CO -0.45 0.16 0.00 0.41 0.86 0.00 0.00 177.93 178.90 2dlx n GLY 139 N 1.71 2.67 3.63 2.45 0.00 0.17 -5.06 105.19 110.76 2dlx n GLY 139 Ca -0.04 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 2dlx n GLY 139 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dlx n GLN 140 N 1.39 -0.67 -0.17 1.61 7.27 -1.24 -4.90 117.38 120.68 2dlx n GLN 140 Ca 0.00 -0.13 -0.01 0.00 0.07 0.00 0.00 57.00 56.92 2dlx n GLN 140 Cb 0.00 -2.32 0.08 0.00 2.41 0.00 0.00 30.24 30.41 2dlx n GLN 140 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2dlx h LEU 141 N -1.97 -0.13 -9.65 1.69 4.07 -1.95 -3.40 115.31 103.97 2dlx h LEU 141 Ca -0.45 0.12 -0.52 0.00 0.08 0.00 0.00 57.88 57.11 2dlx h LEU 141 Cb 1.28 0.19 0.01 0.00 1.08 0.00 0.00 40.66 43.21 2dlx h LEU 141 CO 0.41 -0.04 0.48 -0.62 -1.08 0.00 0.00 178.44 177.60 2dlx s ASP 142 N -5.27 7.24 -0.93 -0.43 -1.08 -1.26 -4.96 116.67 109.98 2dlx s ASP 142 Ca -0.13 2.09 -0.24 0.00 -0.52 0.00 0.00 52.55 53.75 2dlx s ASP 142 Cb 0.17 -2.60 0.03 0.00 -1.46 0.00 0.00 42.92 39.06 2dlx s ASP 142 CO 0.73 -0.24 1.48 -0.83 0.52 0.00 0.00 175.17 176.82 2dlx s GLY 143 N -0.04 1.03 -0.04 2.66 0.00 -1.26 -4.98 107.32 104.69 2dlx s GLY 143 Ca 0.50 -1.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 2dlx s GLY 143 CO 0.35 2.79 0.02 1.08 0.00 0.00 0.00 173.10 177.33 2dlx s LEU 144 N 5.79 3.65 0.10 0.66 1.02 -1.26 -5.02 118.68 123.62 2dlx s LEU 144 Ca 0.47 0.11 -0.16 0.00 0.02 0.00 0.00 54.13 54.56 2dlx s LEU 144 Cb -0.03 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 44.15 2dlx s LEU 144 CO -0.03 0.33 1.53 0.28 0.02 0.00 0.00 176.35 178.48 2dlx h SER 145 N 4.69 0.59 -0.96 2.29 0.02 -2.04 -3.45 113.55 114.68 2dlx h SER 145 Ca -0.50 -0.33 -0.54 0.00 -0.84 0.00 0.00 61.79 59.58 2dlx h SER 145 Cb 1.19 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 2dlx h SER 145 CO 0.57 0.79 -0.30 -0.94 -1.14 0.00 0.00 176.83 175.80 2dlx s SER 146 N -6.14 4.84 0.29 3.07 1.04 -1.26 -5.15 113.70 110.38 2dlx s SER 146 Ca -0.13 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 55.31 2dlx s SER 146 Cb 0.09 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2dlx s SER 146 CO 0.78 -0.96 0.12 -0.94 0.98 0.00 0.00 173.24 173.22 2dlx s SER 147 N -4.27 1.52 0.41 7.02 1.04 -1.26 -5.11 113.70 113.05 2dlx s SER 147 Ca 0.43 -1.48 0.03 0.00 0.48 0.00 0.00 55.95 55.41 2dlx s SER 147 Cb -0.03 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 2dlx s SER 147 CO 0.26 -0.81 0.08 -0.44 0.98 0.00 0.00 173.24 173.31 2dlx s SER 148 N -3.37 3.04 0.00 7.02 0.01 -1.26 -5.14 113.70 114.00 2dlx s SER 148 Ca 0.36 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.03 2dlx s SER 148 Cb 0.06 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2dlx s SER 148 CO 0.16 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2dlx n GLY 149 N -0.94 3.80 2.67 3.44 0.00 -1.26 -5.02 105.19 107.88 2dlx n GLY 149 Ca -0.08 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 2dlx n GLY 149 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dlx n PRO 150 N -0.71 -2.64 -2.61 1.61 -0.04 -1.26 -5.04 135.00 124.30 2dlx n PRO 150 Ca 0.00 -1.33 -0.28 0.00 -0.04 0.00 0.00 63.50 61.84 2dlx n PRO 150 Cb 0.00 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.21 2dlx n PRO 150 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dlx s SER 151 N -3.75 6.32 -0.10 3.54 0.01 -1.26 -5.04 113.70 113.43 2dlx s SER 151 Ca 0.54 1.03 -0.06 0.00 1.31 0.00 0.00 55.95 58.77 2dlx s SER 151 Cb -0.05 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 2dlx s SER 151 CO 0.41 -0.57 0.19 0.28 0.41 0.00 0.00 173.24 173.97 2dlx h SER 152 N 0.41 -0.05 0.00 2.44 0.02 -1.97 -3.49 113.55 110.91 2dlx h SER 152 Ca -0.47 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2dlx h SER 152 Cb 1.20 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2dlx h SER 152 CO 0.62 0.51 0.00 0.61 -1.14 0.00 0.00 176.83 177.43