#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 -0.32 0.14 1.61 1.04 -1.26 -5.19 113.70 109.72 2dlx s SER 2 Ca 0.00 -0.22 -0.25 0.00 0.48 0.00 0.00 55.95 55.95 2dlx s SER 2 Cb 0.00 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.69 2dlx s SER 2 CO 0.00 -0.87 0.94 -0.55 0.98 0.00 0.00 173.24 173.74 2dlx s SER 3 N -2.75 -0.21 0.00 7.02 0.15 -1.26 -5.18 113.70 111.47 2dlx s SER 3 Ca 0.08 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2dlx s SER 3 Cb -0.02 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dlx s SER 3 CO -0.04 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.14 2dlx n GLY 4 N -0.44 4.03 3.52 9.45 0.00 -1.26 -5.19 105.19 115.30 2dlx n GLY 4 Ca -0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 2dlx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlx s SER 5 N 0.00 -0.38 -0.18 1.61 1.04 -1.26 -5.18 113.70 109.35 2dlx s SER 5 Ca 0.00 0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.40 2dlx s SER 5 Cb 0.00 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.53 2dlx s SER 5 CO 0.00 -0.54 0.48 -0.55 0.98 0.00 0.00 173.24 173.61 2dlx s SER 6 N -2.06 -0.50 0.00 7.02 0.15 -1.26 -5.10 113.70 111.96 2dlx s SER 6 Ca 0.03 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2dlx s SER 6 Cb -0.01 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 2dlx s SER 6 CO -0.05 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dlx n GLY 7 N 2.83 1.83 2.71 9.45 0.00 -1.26 -5.14 105.19 115.61 2dlx n GLY 7 Ca -0.13 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 2dlx n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dlx s ILE 8 N 0.00 -0.20 -0.12 -0.61 1.09 -1.26 -5.12 121.20 114.98 2dlx s ILE 8 Ca 0.00 0.02 -0.01 0.00 -1.10 0.00 0.00 60.65 59.56 2dlx s ILE 8 Cb 0.00 -0.51 0.03 0.00 -1.06 0.00 0.00 42.46 40.92 2dlx s ILE 8 CO 0.00 -0.12 -0.05 1.51 -0.10 0.00 0.00 174.94 176.17 2dlx s ASP 9 N 2.23 2.21 -0.05 3.58 1.47 -1.26 -5.12 116.67 119.74 2dlx s ASP 9 Ca 0.04 -0.34 -0.02 0.00 1.18 0.00 0.00 52.55 53.41 2dlx s ASP 9 Cb -0.15 -0.77 0.03 0.00 -0.34 0.00 0.00 42.92 41.69 2dlx s ASP 9 CO -0.09 -0.15 0.08 -0.75 0.68 0.00 0.00 175.17 174.94 2dlx s LYS 10 N 1.75 -0.03 -0.11 2.11 2.20 -1.26 -5.14 119.74 119.26 2dlx s LYS 10 Ca 0.04 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 56.04 2dlx s LYS 10 Cb -0.13 -0.36 -0.00 0.00 -1.51 0.00 0.00 37.83 35.83 2dlx s LYS 10 CO -0.08 -0.26 -0.22 0.21 -0.36 0.00 0.00 175.35 174.64 2dlx s LYS 11 N 1.79 3.11 0.00 4.03 2.47 -1.26 -4.99 119.74 124.89 2dlx s LYS 11 Ca -0.01 -0.84 0.24 0.00 -1.56 0.00 0.00 55.97 53.80 2dlx s LYS 11 Cb -0.12 -2.39 0.39 0.00 -1.46 0.00 0.00 37.83 34.25 2dlx s LYS 11 CO -0.04 0.15 1.38 1.47 0.16 0.00 0.00 175.35 178.47 2dlx n LEU 12 N 3.62 3.03 -4.63 5.43 -0.00 -1.26 -4.92 117.00 118.27 2dlx n LEU 12 Ca -0.19 -1.17 -0.43 0.00 -0.00 0.00 0.00 56.01 54.22 2dlx n LEU 12 Cb 0.53 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 43.80 2dlx n LEU 12 CO 0.28 0.59 1.39 0.42 -0.00 0.00 0.00 177.39 180.06 2dlx s THR 13 N -1.75 3.67 -0.02 1.47 -4.23 -1.26 -4.98 115.64 108.54 2dlx s THR 13 Ca 0.34 0.75 0.01 0.00 -1.18 0.00 0.00 61.69 61.60 2dlx s THR 13 Cb 0.21 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.37 2dlx s THR 13 CO 0.31 -0.31 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.18 2dlx s THR 14 N 5.35 0.16 -0.03 3.99 2.01 -1.26 -5.15 115.64 120.70 2dlx s THR 14 Ca 0.72 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.65 2dlx s THR 14 Cb -0.25 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.07 2dlx s THR 14 CO 0.30 0.10 0.20 -0.22 -0.69 0.00 0.00 174.62 174.31 2dlx s LEU 15 N 0.54 1.26 0.09 4.42 2.96 -1.26 -5.13 118.68 121.57 2dlx s LEU 15 Ca -0.05 0.08 -0.31 0.00 -0.22 0.00 0.00 54.13 53.63 2dlx s LEU 15 Cb -0.08 0.84 -0.09 0.00 0.50 0.00 0.00 46.19 47.36 2dlx s LEU 15 CO -0.01 -0.29 1.65 0.00 -1.32 0.00 0.00 176.35 176.38 2dlx s ALA 16 N -0.86 3.71 -0.15 5.97 0.00 -1.26 -4.92 121.76 124.25 2dlx s ALA 16 Ca -0.09 1.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 2dlx s ALA 16 Cb -0.05 -3.69 -0.24 0.00 0.00 0.00 0.00 23.12 19.15 2dlx s ALA 16 CO 0.02 -1.05 0.39 -0.44 0.00 0.00 0.00 175.76 174.68 2dlx h ASP 17 N 8.05 0.21 -0.78 0.00 3.32 -2.02 -3.45 116.42 121.74 2dlx h ASP 17 Ca -0.43 -0.74 -0.54 0.00 0.02 0.00 0.00 57.03 55.34 2dlx h ASP 17 Cb 1.20 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 2dlx h ASP 17 CO 0.93 1.57 -0.26 -0.76 -1.72 0.00 0.00 179.24 179.01 2dlx s LEU 18 N -7.63 2.93 -0.83 1.55 1.02 -1.26 -4.57 118.68 109.89 2dlx s LEU 18 Ca -0.24 -1.05 -0.04 0.00 0.02 0.00 0.00 54.13 52.82 2dlx s LEU 18 Cb 0.05 -1.46 0.03 0.00 0.02 0.00 0.00 46.19 44.84 2dlx s LEU 18 CO 0.69 -1.10 0.16 2.22 0.02 0.00 0.00 176.35 178.34 2dlx n PHE 19 N -1.86 -1.68 -2.78 0.29 -1.74 -1.26 -4.89 117.46 103.54 2dlx n PHE 19 Ca 0.04 0.16 -0.37 0.00 -0.56 0.00 0.00 57.45 56.72 2dlx n PHE 19 Cb 0.63 -2.19 -0.06 0.00 1.52 0.00 0.00 39.48 39.37 2dlx n PHE 19 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 2dlx s ARG 20 N -5.41 4.62 0.48 3.97 1.70 -1.26 -5.03 118.95 118.02 2dlx s ARG 20 Ca 0.15 1.35 -0.22 0.00 -0.47 0.00 0.00 55.73 56.54 2dlx s ARG 20 Cb -0.08 -2.87 -0.07 0.00 -0.57 0.00 0.00 34.95 31.36 2dlx s ARG 20 CO 0.19 0.31 1.16 -1.25 -1.08 0.00 0.00 175.30 174.63 2dlx s PRO 21 N -1.93 3.68 0.00 3.89 0.04 -1.26 -4.91 135.00 134.52 2dlx s PRO 21 Ca 0.49 1.74 0.11 0.00 0.04 0.00 0.00 61.00 63.38 2dlx s PRO 21 Cb -0.20 -2.33 0.68 0.00 0.04 0.00 0.00 34.50 32.70 2dlx s PRO 21 CO 0.25 -0.61 1.12 -0.35 0.04 0.00 0.00 177.00 177.45 2dlx n PRO 22 N -0.64 0.49 -2.77 0.56 -0.04 -1.26 -4.82 135.00 126.51 2dlx n PRO 22 Ca 0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 2dlx n PRO 22 Cb 0.49 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 2dlx n PRO 22 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2dlx n ILE 23 N -0.87 0.00 -0.38 0.52 -5.35 -1.26 -4.74 119.36 107.28 2dlx n ILE 23 Ca 0.09 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.53 2dlx n ILE 23 Cb 0.04 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 2dlx n ILE 23 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2dlx n ASP 24 N -1.58 -0.74 -0.06 7.28 8.00 -1.26 -2.49 116.55 125.71 2dlx n ASP 24 Ca 0.02 1.69 -0.05 0.00 0.71 0.00 0.00 54.79 57.15 2dlx n ASP 24 Cb 0.46 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 2dlx n ASP 24 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2dlx h LEU 25 N 0.00 0.00 -8.55 0.64 3.38 -1.95 -3.44 115.31 105.38 2dlx h LEU 25 Ca 0.28 -0.31 -0.59 0.00 0.09 0.00 0.00 57.88 57.35 2dlx h LEU 25 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2dlx h LEU 25 CO -0.94 0.71 1.53 0.23 0.09 0.00 0.00 178.44 180.06 2dlx n MET 26 N -4.70 1.06 -3.87 1.13 2.81 -1.04 -4.60 117.12 107.92 2dlx n MET 26 Ca -0.05 0.22 -0.35 0.00 -1.81 0.00 0.00 57.70 55.70 2dlx n MET 26 Cb 0.19 -2.69 -0.13 0.00 -0.71 0.00 0.00 33.22 29.88 2dlx n MET 26 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2dlx s HIS 27 N 8.89 3.31 0.33 2.03 2.46 -1.20 -4.74 115.29 126.37 2dlx s HIS 27 Ca 1.09 -1.88 0.01 0.00 0.47 0.00 0.00 55.06 54.76 2dlx s HIS 27 Cb -0.67 -2.28 0.58 0.00 -0.13 0.00 0.00 32.58 30.09 2dlx s HIS 27 CO 0.41 -0.81 1.98 1.57 -2.47 0.00 0.00 174.74 175.42 2dlx h LYS 28 N 8.04 0.91 0.00 2.88 2.10 -1.91 -3.39 116.57 125.20 2dlx h LYS 28 Ca -0.20 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2dlx h LYS 28 Cb 1.06 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 2dlx h LYS 28 CO 0.56 0.60 0.00 0.41 -2.00 0.00 0.00 179.45 179.03 2dlx n GLY 29 N -1.43 1.35 3.53 0.07 0.00 -1.26 -4.82 105.19 102.63 2dlx n GLY 29 Ca 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.44 -0.36 0.20 1.61 0.15 -1.26 -4.90 113.70 106.71 2dlx s SER 30 Ca 0.00 0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.64 2dlx s SER 30 Cb 0.00 0.35 0.23 0.00 -1.71 0.00 0.00 66.02 64.88 2dlx s SER 30 CO 0.00 -0.52 1.65 0.15 1.20 0.00 0.00 173.24 175.72 2dlx h PHE 31 N 2.18 -0.19 0.04 3.44 3.57 -1.94 0.25 116.94 124.29 2dlx h PHE 31 Ca -0.20 0.05 -0.23 0.00 3.53 0.00 0.00 57.97 61.11 2dlx h PHE 31 Cb 1.21 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 2dlx h PHE 31 CO 0.27 -0.20 -1.25 1.05 -2.23 0.00 0.00 178.31 175.94 2dlx h GLU 32 N 0.05 0.08 -0.54 1.11 4.11 -2.01 -3.39 114.58 113.99 2dlx h GLU 32 Ca 0.28 -0.13 0.11 0.00 0.07 0.00 0.00 59.36 59.69 2dlx h GLU 32 Cb 0.45 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 2dlx h GLU 32 CO -0.54 1.06 -0.18 1.15 0.07 0.00 0.00 179.01 180.57 2dlx h THR 33 N -0.74 0.38 -0.73 -1.06 2.02 -1.91 -0.82 112.91 110.06 2dlx h THR 33 Ca -0.31 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.09 2dlx h THR 33 Cb 1.45 0.38 -0.14 0.00 -1.74 0.00 0.00 68.15 68.11 2dlx h THR 33 CO -0.10 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.87 2dlx n ALA 34 N -2.98 0.44 -0.02 6.16 0.00 0.88 0.22 120.51 125.20 2dlx n ALA 34 Ca 0.05 0.78 -0.17 0.00 0.00 0.00 0.00 53.44 54.10 2dlx n ALA 34 Cb 0.31 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 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 0.73 0.48 0.00 1.57 -1.38 -3.28 116.57 114.69 2dlx h LYS 35 Ca 0.47 -0.60 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2dlx h LYS 35 Cb 1.04 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2dlx h LYS 35 CO -0.67 1.21 -0.50 0.93 -0.57 0.00 0.00 179.45 179.86 2dlx h GLU 36 N 0.44 -0.94 -1.00 3.15 4.39 0.30 -2.77 114.58 118.14 2dlx h GLU 36 Ca -0.05 0.06 0.16 0.00 0.34 0.00 0.00 59.36 59.88 2dlx h GLU 36 Cb 1.35 0.21 -0.17 0.00 -0.10 0.00 0.00 28.75 30.04 2dlx h GLU 36 CO 0.15 -0.63 -0.36 0.00 -1.16 0.00 0.00 179.01 177.00 2dlx n GLY 38 N -1.50 -0.65 0.13 0.00 0.00 -1.04 -0.93 105.19 101.18 2dlx n GLY 38 Ca 0.11 0.69 -0.05 0.00 0.00 0.00 0.00 46.02 46.77 2dlx n GLY 38 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2dlx h GLN 39 N 0.00 -0.30 -0.24 1.61 4.20 -0.18 0.92 115.11 121.11 2dlx h GLN 39 Ca 0.70 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.47 2dlx h GLN 39 Cb 1.84 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 29.62 2dlx h GLN 39 CO -0.65 -0.20 -0.53 0.52 -0.67 0.00 0.00 178.83 177.30 2dlx h MET 40 N -0.38 -0.48 0.00 1.46 2.86 -1.08 0.22 114.93 117.53 2dlx h MET 40 Ca -0.03 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2dlx h MET 40 Cb 0.24 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2dlx h MET 40 CO 0.05 -0.32 -0.04 1.96 1.06 0.00 0.00 176.91 179.62 2dlx h GLN 41 N -0.50 0.00 -5.01 1.72 4.20 -1.14 -3.46 115.11 110.91 2dlx h GLN 41 Ca 0.06 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.48 2dlx h GLN 41 Cb 0.65 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.56 2dlx h GLN 41 CO -0.50 0.04 -0.62 0.09 -0.67 0.00 0.00 178.83 177.17 2dlx n ASN 42 N -3.22 -2.95 -4.33 1.46 4.13 0.29 -4.98 115.26 105.65 2dlx n ASN 42 Ca -0.01 -0.50 -0.21 0.00 1.68 0.00 0.00 54.58 55.54 2dlx n ASN 42 Cb 0.22 -4.30 -0.10 0.00 -1.54 0.00 0.00 39.78 34.06 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2dlx s LYS 43 N -5.37 1.66 0.45 3.52 1.02 0.58 -3.88 119.74 117.72 2dlx s LYS 43 Ca 0.12 -1.94 -0.08 0.00 0.02 0.00 0.00 55.97 54.10 2dlx s LYS 43 Cb -0.05 -0.64 -0.05 0.00 -0.52 0.00 0.00 37.83 36.56 2dlx s LYS 43 CO 0.60 -0.29 0.78 -1.58 -0.92 0.00 0.00 175.35 173.95 2dlx s TRP 44 N -3.40 3.53 -0.22 3.18 0.52 -0.68 -4.54 118.94 117.33 2dlx s TRP 44 Ca 0.34 0.92 -0.09 0.00 0.02 0.00 0.00 56.10 57.29 2dlx s TRP 44 Cb 0.07 -2.37 -0.04 0.00 -1.15 0.00 0.00 33.47 29.98 2dlx s TRP 44 CO 0.15 -0.21 0.11 -1.17 0.02 0.00 0.00 176.95 175.85 2dlx s LEU 45 N -4.35 3.91 -0.26 2.99 2.96 -1.24 -0.76 118.68 121.93 2dlx s LEU 45 Ca 0.49 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.43 2dlx s LEU 45 Cb -0.10 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.58 2dlx s LEU 45 CO 0.39 0.09 -0.02 -0.32 -1.32 0.00 0.00 176.35 175.17 2dlx s MET 46 N 0.87 2.91 0.13 1.98 -2.45 -1.20 -3.05 119.30 118.50 2dlx s MET 46 Ca 0.06 -0.94 -0.20 0.00 -1.25 0.00 0.00 55.69 53.35 2dlx s MET 46 Cb -0.13 -3.09 -0.07 0.00 1.25 0.00 0.00 34.83 32.78 2dlx s MET 46 CO 0.03 -0.41 0.64 0.42 1.05 0.00 0.00 175.02 176.75 2dlx s ILE 47 N 1.37 4.65 -0.18 10.11 -1.09 -1.19 -3.58 121.20 131.28 2dlx s ILE 47 Ca 0.01 1.27 -0.04 0.00 -2.23 0.00 0.00 60.65 59.66 2dlx s ILE 47 Cb -0.17 -3.91 0.08 0.00 -1.58 0.00 0.00 42.46 36.88 2dlx s ILE 47 CO -0.02 0.43 0.20 0.21 -1.23 0.00 0.00 174.94 174.52 2dlx s ASN 48 N -1.33 1.33 -0.41 3.58 3.84 -1.16 -4.21 114.94 116.58 2dlx s ASN 48 Ca 0.35 -0.13 -0.10 0.00 0.21 0.00 0.00 52.86 53.18 2dlx s ASN 48 Cb -0.19 0.31 0.07 0.00 -0.55 0.00 0.00 41.25 40.89 2dlx s ASN 48 CO 0.21 -0.31 0.25 -0.63 -2.79 0.00 0.00 177.10 173.83 2dlx s ILE 49 N 2.31 4.34 -0.13 -5.21 -1.09 -1.25 -2.89 121.20 117.28 2dlx s ILE 49 Ca 0.05 -1.27 -0.17 0.00 -2.23 0.00 0.00 60.65 57.03 2dlx s ILE 49 Cb -0.15 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 2dlx s ILE 49 CO -0.11 -0.45 0.42 -1.10 -1.23 0.00 0.00 174.94 172.48 2dlx s GLN 50 N 1.46 4.32 0.82 2.79 -1.52 -1.26 -4.45 119.66 121.82 2dlx s GLN 50 Ca 0.03 0.34 -0.11 0.00 -1.95 0.00 0.00 55.36 53.67 2dlx s GLN 50 Cb -0.22 -3.43 0.08 0.00 -0.22 0.00 0.00 33.01 29.22 2dlx s GLN 50 CO 0.03 0.18 1.09 0.54 -0.25 0.00 0.00 175.29 176.88 2dlx s ASN 51 N 0.58 4.17 0.17 5.90 2.20 -1.26 -4.32 114.94 122.38 2dlx s ASN 51 Ca 0.23 1.51 -0.04 0.00 -0.94 0.00 0.00 52.86 53.61 2dlx s ASN 51 Cb -0.14 -2.23 0.03 0.00 -2.00 0.00 0.00 41.25 36.91 2dlx s ASN 51 CO 0.08 -2.20 1.44 -0.37 -2.94 0.00 0.00 177.10 173.11 2dlx h VAL 52 N -1.24 1.34 -2.11 3.54 -1.51 -2.02 -3.44 116.25 110.80 2dlx h VAL 52 Ca -0.47 -1.97 -0.03 0.00 -1.23 0.00 0.00 66.70 63.00 2dlx h VAL 52 Cb 1.26 1.94 -0.25 0.00 -2.13 0.00 0.00 31.29 32.12 2dlx h VAL 52 CO 0.56 0.61 -0.31 0.00 -1.23 0.00 0.00 177.57 177.19 2dlx s GLN 53 N -3.80 0.42 0.21 5.19 -2.07 -1.26 -5.16 119.66 113.19 2dlx s GLN 53 Ca -0.07 1.08 -0.23 0.00 -1.82 0.00 0.00 55.36 54.32 2dlx s GLN 53 Cb 0.10 0.39 0.05 0.00 -1.09 0.00 0.00 33.01 32.47 2dlx s GLN 53 CO 0.85 -0.34 0.90 0.34 -1.32 0.00 0.00 175.29 175.73 2dlx s ASP 54 N 2.71 -0.15 -0.25 12.60 2.15 -1.26 -5.08 116.67 127.39 2dlx s ASP 54 Ca 0.02 -0.56 -0.09 0.00 0.43 0.00 0.00 52.55 52.35 2dlx s ASP 54 Cb -0.13 0.58 -0.16 0.00 -0.30 0.00 0.00 42.92 42.92 2dlx s ASP 54 CO -0.16 -1.10 -0.18 0.49 -0.17 0.00 0.00 175.17 174.05 2dlx n PHE 55 N -0.51 0.23 -0.17 -5.34 3.72 -1.26 -4.14 117.46 109.99 2dlx n PHE 55 Ca -0.05 0.08 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 2dlx n PHE 55 Cb 0.60 -1.03 0.34 0.00 -0.94 0.00 0.00 39.48 38.45 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dlx h ALA 56 N -0.51 1.65 -0.50 4.37 0.00 -1.98 0.35 119.26 122.64 2dlx h ALA 56 Ca -0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2dlx h ALA 56 Cb 1.71 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2dlx h ALA 56 CO -0.24 0.26 0.25 0.00 0.00 0.00 0.00 179.25 179.51 2dlx h GLN 58 N 0.67 0.09 -0.20 0.00 3.07 -1.54 -3.11 115.11 114.09 2dlx h GLN 58 Ca 0.17 -0.08 -0.16 0.00 0.09 0.00 0.00 58.65 58.67 2dlx h GLN 58 Cb 0.11 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.68 2dlx h GLN 58 CO -0.02 0.75 -0.55 0.00 0.09 0.00 0.00 178.83 179.10 2dlx h LEU 60 N 0.47 -0.25 -1.52 0.00 3.38 -0.89 -2.79 115.31 113.71 2dlx h LEU 60 Ca 0.01 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.21 2dlx h LEU 60 Cb 1.10 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2dlx h LEU 60 CO 0.11 -0.16 0.86 -1.13 0.09 0.00 0.00 178.44 178.21 2dlx h ASN 61 N -0.32 0.00 -0.54 -0.43 -1.24 -1.66 0.19 115.58 111.58 2dlx h ASN 61 Ca -0.03 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.03 2dlx h ASN 61 Cb 0.22 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.19 2dlx h ASN 61 CO 0.05 0.00 -0.47 -0.09 -1.29 0.00 0.00 177.43 175.63 2dlx h ARG 62 N 0.00 -0.18 0.00 6.67 9.65 -1.37 -3.06 114.38 126.09 2dlx h ARG 62 Ca 0.37 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.22 2dlx h ARG 62 Cb 2.09 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.70 2dlx h ARG 62 CO -0.00 -0.12 -1.14 -0.25 2.80 0.00 0.00 179.97 181.25 2dlx n ASP 63 N -4.89 4.07 0.04 -3.80 9.92 -0.75 -4.40 116.55 116.74 2dlx n ASP 63 Ca -0.01 -0.01 -0.03 0.00 -0.53 0.00 0.00 54.79 54.21 2dlx n ASP 63 Cb 0.25 0.19 -0.02 0.00 -0.64 0.00 0.00 41.12 40.91 2dlx n ASP 63 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2dlx h VAL 64 N 0.00 0.00 -0.05 2.53 2.07 -0.80 0.13 116.25 120.12 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 -0.00 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.38 2dlx n TRP 65 N -2.91 0.14 -0.07 1.57 5.03 -1.23 -3.30 117.44 116.68 2dlx n TRP 65 Ca -0.02 -0.05 -0.08 0.00 3.03 0.00 0.00 57.50 60.38 2dlx n TRP 65 Cb 0.08 -0.08 -0.09 0.00 -1.03 0.00 0.00 31.31 30.19 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 -0.09 2.23 -4.67 -0.99 2.88 -0.74 -4.91 113.62 107.33 2dlx n SER 66 Ca 0.02 -0.03 -0.48 0.00 -1.33 0.00 0.00 58.87 57.05 2dlx n SER 66 Cb 0.22 0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 64.08 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 -2.63 3.43 -0.30 -3.46 2.85 0.37 -4.84 115.26 110.68 2dlx n ASN 67 Ca -0.23 0.94 0.09 0.00 -0.11 0.00 0.00 54.58 55.27 2dlx n ASN 67 Cb 0.87 -1.37 0.24 0.00 1.24 0.00 0.00 39.78 40.76 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 9.48 0.54 0.51 1.20 4.81 -1.92 -1.55 114.58 127.64 2dlx h GLU 68 Ca -0.48 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2dlx h GLU 68 Cb 1.27 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2dlx h GLU 68 CO 0.95 0.36 -0.24 0.00 -0.73 0.00 0.00 179.01 179.34 2dlx h ALA 69 N 1.60 -1.14 -0.93 2.92 0.00 -1.97 0.48 119.26 120.20 2dlx h ALA 69 Ca 0.49 -0.15 0.28 0.00 0.00 0.00 0.00 54.91 55.52 2dlx h ALA 69 Cb 0.76 0.26 -0.16 0.00 0.00 0.00 0.00 17.79 18.66 2dlx h ALA 69 CO -0.41 -1.09 0.23 0.28 0.00 0.00 0.00 179.25 178.26 2dlx h VAL 70 N -0.70 0.18 0.32 0.00 2.07 -1.81 0.29 116.25 116.60 2dlx h VAL 70 Ca -0.07 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2dlx h VAL 70 Cb 0.52 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2dlx h VAL 70 CO 0.11 0.02 -0.15 0.11 0.02 0.00 0.00 177.57 177.68 2dlx h LYS 71 N 0.12 -0.41 -0.35 1.57 1.57 -1.18 0.17 116.57 118.06 2dlx h LYS 71 Ca 0.62 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.53 2dlx h LYS 71 Cb 1.34 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 2dlx h LYS 71 CO -0.75 -0.12 0.27 -0.91 -0.57 0.00 0.00 179.45 177.36 2dlx h ASN 72 N -0.68 0.00 0.00 0.86 2.35 0.13 0.67 115.58 118.90 2dlx h ASN 72 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2dlx h ASN 72 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2dlx h ASN 72 CO 0.07 0.00 -0.00 0.40 -1.65 0.00 0.00 177.43 176.25 2dlx h ILE 73 N 0.00 0.58 -0.12 2.81 2.04 -0.30 -1.20 117.51 121.32 2dlx h ILE 73 Ca 0.16 -1.43 0.04 0.00 1.00 0.00 0.00 64.86 64.63 2dlx h ILE 73 Cb 0.70 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2dlx h ILE 73 CO -0.00 0.20 0.17 0.40 0.00 0.00 0.00 178.15 178.92 2dlx h ILE 74 N -1.00 0.36 0.14 -0.67 2.04 -0.37 0.80 117.51 118.81 2dlx h ILE 74 Ca -0.00 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.52 2dlx h ILE 74 Cb 0.32 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2dlx h ILE 74 CO 0.00 0.00 -1.80 0.08 0.00 0.00 0.00 178.15 176.43 2dlx h ARG 75 N 0.00 0.29 0.00 2.37 0.11 -0.88 -2.54 114.38 113.73 2dlx h ARG 75 Ca 0.06 -0.49 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2dlx h ARG 75 Cb 0.41 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2dlx h ARG 75 CO -0.00 1.24 -0.06 1.49 0.10 0.00 0.00 179.97 182.73 2dlx h GLU 76 N -0.03 0.00 -0.65 0.08 4.81 -0.27 -3.39 114.58 115.14 2dlx h GLU 76 Ca -0.38 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2dlx h GLU 76 Cb 1.98 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.33 2dlx h GLU 76 CO 0.10 0.00 0.40 0.45 -0.73 0.00 0.00 179.01 179.22 2dlx h HIS 77 N -0.29 0.84 -1.26 0.92 3.86 0.41 -3.45 115.15 116.18 2dlx h HIS 77 Ca 0.00 0.01 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 2dlx h HIS 77 Cb 0.06 -0.28 -0.13 0.00 1.06 0.00 0.00 27.41 28.12 2dlx h HIS 77 CO -0.03 0.55 -0.52 -0.06 0.86 0.00 0.00 177.93 178.74 2dlx s PHE 78 N -5.68 1.88 -0.32 2.45 0.40 -0.66 -1.68 117.98 114.36 2dlx s PHE 78 Ca -0.10 -1.05 -0.05 0.00 -0.60 0.00 0.00 56.93 55.12 2dlx s PHE 78 Cb 0.17 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 42.28 2dlx s PHE 78 CO 0.77 0.06 0.07 0.42 0.70 0.00 0.00 175.22 177.25 2dlx s ILE 79 N -2.99 3.61 -0.27 0.64 -1.09 0.06 -3.36 121.20 117.80 2dlx s ILE 79 Ca 0.14 -1.14 -0.28 0.00 -2.23 0.00 0.00 60.65 57.14 2dlx s ILE 79 Cb 0.03 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 2dlx s ILE 79 CO 0.08 -0.13 1.96 0.12 -1.23 0.00 0.00 174.94 175.74 2dlx s PHE 80 N 1.38 1.56 -0.26 3.97 5.36 -1.16 -3.21 117.98 125.62 2dlx s PHE 80 Ca -0.02 0.55 -0.01 0.00 -0.96 0.00 0.00 56.93 56.50 2dlx s PHE 80 Cb -0.19 -4.05 0.08 0.00 -0.34 0.00 0.00 43.02 38.52 2dlx s PHE 80 CO 0.02 -3.48 0.03 -0.46 -1.46 0.00 0.00 175.22 169.87 2dlx s TRP 81 N 7.25 1.86 -0.21 10.12 -0.00 -1.24 -3.22 118.94 133.51 2dlx s TRP 81 Ca 0.88 -1.58 -0.07 0.00 -0.00 0.00 0.00 56.10 55.33 2dlx s TRP 81 Cb -0.27 -1.56 -0.04 0.00 -0.00 0.00 0.00 33.47 31.60 2dlx s TRP 81 CO 0.34 -0.77 0.06 -1.14 -0.00 0.00 0.00 176.95 175.44 2dlx s GLN 82 N 1.57 3.83 -0.19 5.86 0.74 -1.26 -2.98 119.66 127.22 2dlx s GLN 82 Ca 0.02 -0.41 -0.09 0.00 0.05 0.00 0.00 55.36 54.92 2dlx s GLN 82 Cb -0.18 -3.23 0.07 0.00 1.10 0.00 0.00 33.01 30.77 2dlx s GLN 82 CO -0.13 0.09 0.45 0.14 -0.55 0.00 0.00 175.29 175.29 2dlx s VAL 83 N 0.86 -0.18 0.79 1.34 -7.23 -1.14 -4.91 120.40 109.93 2dlx s VAL 83 Ca 0.03 0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.19 2dlx s VAL 83 Cb -0.14 -0.67 0.07 0.00 0.56 0.00 0.00 36.38 36.19 2dlx s VAL 83 CO 0.02 0.04 1.09 -0.31 -0.31 0.00 0.00 175.10 175.63 2dlx s TYR 84 N 1.72 2.70 0.12 2.82 1.51 -1.26 -4.02 117.35 120.95 2dlx s TYR 84 Ca -0.08 1.36 -0.05 0.00 -1.01 0.00 0.00 57.07 57.29 2dlx s TYR 84 Cb -0.09 -3.05 -0.11 0.00 -0.11 0.00 0.00 41.96 38.60 2dlx s TYR 84 CO -0.14 -1.80 1.29 1.12 -1.11 0.00 0.00 175.55 174.92 2dlx h HIS 85 N -1.12 0.62 -0.50 2.71 2.07 -1.89 -3.01 115.15 114.04 2dlx h HIS 85 Ca -0.46 -0.34 0.05 0.00 -2.85 0.00 0.00 60.37 56.77 2dlx h HIS 85 Cb 1.25 -0.07 -0.05 0.00 2.57 0.00 0.00 27.41 31.11 2dlx h HIS 85 CO 0.53 1.17 0.24 0.22 -3.07 0.00 0.00 177.93 177.01 2dlx h ASP 86 N 0.23 0.33 -4.25 3.10 3.58 -1.92 -2.05 116.42 115.45 2dlx h ASP 86 Ca -0.08 0.03 -0.52 0.00 0.42 0.00 0.00 57.03 56.87 2dlx h ASP 86 Cb 1.60 -0.03 0.18 0.00 1.72 0.00 0.00 39.33 42.80 2dlx h ASP 86 CO 0.17 0.23 0.28 -0.94 -2.88 0.00 0.00 179.24 176.10 2dlx s SER 87 N -5.47 3.32 0.14 2.28 1.04 -1.24 -4.63 113.70 109.13 2dlx s SER 87 Ca -0.13 2.23 -0.23 0.00 0.48 0.00 0.00 55.95 58.30 2dlx s SER 87 Cb 0.14 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.67 2dlx s SER 87 CO 0.73 -2.84 1.64 1.05 0.98 0.00 0.00 173.24 174.80 2dlx h GLU 88 N -1.41 -0.27 -0.87 4.02 4.11 -1.87 0.16 114.58 118.44 2dlx h GLU 88 Ca -0.44 0.02 0.18 0.00 0.07 0.00 0.00 59.36 59.19 2dlx h GLU 88 Cb 1.28 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.42 2dlx h GLU 88 CO 0.44 -0.18 -0.17 0.93 0.07 0.00 0.00 179.01 180.10 2dlx h GLU 89 N -0.29 0.01 -0.13 1.06 5.08 -1.91 0.54 114.58 118.94 2dlx h GLU 89 Ca 0.10 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 2dlx h GLU 89 Cb 0.43 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2dlx h GLU 89 CO -0.29 0.01 -0.59 0.78 -1.00 0.00 0.00 179.01 177.91 2dlx h GLY 90 N 0.01 0.71 -0.30 -3.84 0.00 -1.23 -3.06 103.07 95.35 2dlx h GLY 90 Ca 0.44 -0.98 0.26 0.00 0.00 0.00 0.00 47.33 47.05 2dlx h GLY 90 CO -0.87 0.87 0.51 1.46 0.00 0.00 0.00 176.54 178.51 2dlx h GLN 91 N 0.30 0.41 -0.17 4.80 1.08 0.15 0.13 115.11 121.82 2dlx h GLN 91 Ca -0.04 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.01 2dlx h GLN 91 Cb 1.23 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2dlx h GLN 91 CO 0.12 0.27 -0.41 0.00 -0.95 0.00 0.00 178.83 177.87 2dlx h ARG 92 N 0.43 0.58 -0.64 1.46 3.08 -1.34 -3.23 114.38 114.72 2dlx h ARG 92 Ca 0.65 -0.40 0.11 0.00 0.07 0.00 0.00 59.98 60.41 2dlx h ARG 92 Cb 1.32 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 31.34 2dlx h ARG 92 CO -0.55 1.01 0.20 -0.92 -1.07 0.00 0.00 179.97 178.65 2dlx h TYR 93 N 0.24 0.34 -0.36 3.04 3.20 -0.68 -1.26 116.97 121.49 2dlx h TYR 93 Ca -0.00 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2dlx h TYR 93 Cb 1.02 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 39.15 2dlx h TYR 93 CO 0.10 0.04 -0.24 0.82 -1.64 0.00 0.00 178.16 177.23 2dlx h ILE 94 N 0.35 0.36 -0.88 1.81 2.04 -1.29 -0.96 117.51 118.94 2dlx h ILE 94 Ca 0.34 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.18 2dlx h ILE 94 Cb 0.48 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 2dlx h ILE 94 CO -0.37 0.00 0.48 1.56 0.00 0.00 0.00 178.15 179.81 2dlx h GLN 95 N -0.19 1.24 -0.16 2.37 1.08 -1.43 0.74 115.11 118.75 2dlx h GLN 95 Ca 0.18 -0.15 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2dlx h GLN 95 Cb 0.47 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2dlx h GLN 95 CO -0.47 0.91 -0.09 0.34 -0.95 0.00 0.00 178.83 178.56 2dlx n PHE 96 N -4.34 -0.07 -0.81 2.96 -0.00 -0.37 -1.59 117.46 113.25 2dlx n PHE 96 Ca 0.09 0.20 0.08 0.00 -0.00 0.00 0.00 57.45 57.82 2dlx n PHE 96 Cb 0.10 -0.41 0.22 0.00 -0.00 0.00 0.00 39.48 39.40 2dlx n PHE 96 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2dlx n TYR 97 N -3.20 0.74 -3.73 -5.13 4.02 -1.22 -4.96 117.16 103.68 2dlx n TYR 97 Ca 0.00 -0.80 -0.26 0.00 -0.01 0.00 0.00 57.90 56.83 2dlx n TYR 97 Cb 0.04 -0.24 0.06 0.00 -0.02 0.00 0.00 39.34 39.18 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 -0.38 -6.80 -1.20 -0.72 4.76 0.22 -4.92 118.16 109.11 2dlx n LYS 98 Ca 0.18 0.72 -0.35 0.00 -2.87 0.00 0.00 58.31 56.00 2dlx n LYS 98 Cb 0.76 -5.70 0.10 0.00 -1.84 0.00 0.00 35.03 28.36 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 -4.82 2.93 -1.77 -0.35 0.00 0.11 -4.96 117.00 108.14 2dlx n LEU 99 Ca 0.00 0.59 -0.02 0.00 0.00 0.00 0.00 56.01 56.58 2dlx n LEU 99 Cb 0.55 -1.38 0.04 0.00 0.00 0.00 0.00 43.42 42.63 2dlx n LEU 99 CO 0.70 -2.29 0.41 0.61 0.00 0.00 0.00 177.39 176.82 2dlx n GLY 100 N 1.06 0.72 3.80 -3.96 0.00 -1.26 -4.86 105.19 100.70 2dlx n GLY 100 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 2dlx n GLY 100 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dlx s ASP 101 N -0.72 -0.29 -0.00 1.61 1.47 -1.26 -5.19 116.67 112.29 2dlx s ASP 101 Ca 0.04 -0.53 -0.29 0.00 1.18 0.00 0.00 52.55 52.95 2dlx s ASP 101 Cb 0.19 0.71 0.07 0.00 -0.34 0.00 0.00 42.92 43.55 2dlx s ASP 101 CO -0.06 -1.29 0.65 -0.36 0.68 0.00 0.00 175.17 174.79 2dlx s PHE 102 N -3.88 -0.61 0.77 2.11 0.08 -1.26 -4.34 117.98 110.85 2dlx s PHE 102 Ca 0.10 0.92 -0.10 0.00 0.12 0.00 0.00 56.93 57.96 2dlx s PHE 102 Cb -0.05 0.43 0.06 0.00 -0.57 0.00 0.00 43.02 42.88 2dlx s PHE 102 CO 0.04 -0.65 1.09 -1.25 -0.10 0.00 0.00 175.22 174.35 2dlx s PRO 103 N -1.76 2.25 -0.03 0.24 0.04 -1.26 -5.08 135.00 129.39 2dlx s PRO 103 Ca -0.08 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.14 2dlx s PRO 103 Cb -0.00 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2dlx s PRO 103 CO 0.05 -1.65 -0.04 -0.47 0.04 0.00 0.00 177.00 174.92 2dlx s TYR 104 N -2.90 0.63 -0.06 0.56 6.14 -1.26 -4.76 117.35 115.68 2dlx s TYR 104 Ca 0.61 -0.14 -0.06 0.00 0.64 0.00 0.00 57.07 58.12 2dlx s TYR 104 Cb -0.17 -0.53 0.02 0.00 0.42 0.00 0.00 41.96 41.69 2dlx s TYR 104 CO 0.56 -0.12 0.18 0.08 0.64 0.00 0.00 175.55 176.88 2dlx s VAL 105 N 0.59 0.00 -0.11 3.14 1.01 -1.19 -3.78 120.40 120.07 2dlx s VAL 105 Ca -0.07 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 2dlx s VAL 105 Cb -0.11 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.07 2dlx s VAL 105 CO -0.00 -0.01 0.61 -0.94 0.00 0.00 0.00 175.10 174.76 2dlx s SER 106 N 0.05 -0.59 -0.23 3.32 1.04 -1.26 -2.61 113.70 113.41 2dlx s SER 106 Ca -0.00 0.83 -0.09 0.00 0.48 0.00 0.00 55.95 57.16 2dlx s SER 106 Cb -0.01 0.77 -0.05 0.00 0.10 0.00 0.00 66.02 66.84 2dlx s SER 106 CO 0.00 -0.45 0.13 -0.63 0.98 0.00 0.00 173.24 173.27 2dlx s ILE 107 N -0.67 5.09 0.36 -1.02 1.01 -1.23 -3.20 121.20 121.54 2dlx s ILE 107 Ca -0.08 0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.74 2dlx s ILE 107 Cb -0.02 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 2dlx s ILE 107 CO 0.06 0.36 0.10 -0.76 0.00 0.00 0.00 174.94 174.70 2dlx s LEU 108 N 1.05 3.12 -0.19 2.97 1.43 -1.17 -1.01 118.68 124.89 2dlx s LEU 108 Ca 0.06 -0.93 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 2dlx s LEU 108 Cb -0.14 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 2dlx s LEU 108 CO 0.04 -0.33 -0.03 -0.62 0.23 0.00 0.00 176.35 175.64 2dlx s ASP 109 N -3.81 4.65 0.00 2.29 2.15 -1.19 -3.59 116.67 117.16 2dlx s ASP 109 Ca 0.37 -0.23 0.14 0.00 0.43 0.00 0.00 52.55 53.27 2dlx s ASP 109 Cb -0.00 -1.78 0.62 0.00 -0.30 0.00 0.00 42.92 41.46 2dlx s ASP 109 CO 0.21 0.08 1.45 -0.81 -0.17 0.00 0.00 175.17 175.94 2dlx n PRO 110 N 4.10 0.02 -0.11 4.34 -0.04 -1.26 0.15 135.00 142.20 2dlx n PRO 110 Ca -0.17 0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.29 2dlx n PRO 110 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.48 0.62 -0.11 0.54 5.12 -1.26 -4.71 116.66 115.37 2dlx n ARG 111 Ca 0.04 0.34 -0.22 0.00 -1.93 0.00 0.00 57.85 56.08 2dlx n ARG 111 Cb 0.16 -1.61 -0.12 0.00 -1.16 0.00 0.00 32.46 29.74 2dlx n ARG 111 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2dlx n THR 112 N -4.04 1.55 -1.82 0.55 -2.24 -1.18 -5.03 114.28 102.06 2dlx n THR 112 Ca -0.43 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 2dlx n THR 112 Cb 0.86 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 1.85 0.87 3.65 3.38 0.00 0.39 -4.99 105.19 110.34 2dlx n GLY 113 Ca -0.46 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 2dlx n GLY 113 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dlx s GLN 114 N -3.72 2.04 -0.16 1.61 -2.07 -1.26 -4.85 119.66 111.25 2dlx s GLN 114 Ca 0.00 -1.96 -0.29 0.00 -1.82 0.00 0.00 55.36 51.29 2dlx s GLN 114 Cb 0.00 -1.79 -0.00 0.00 -1.09 0.00 0.00 33.01 30.13 2dlx s GLN 114 CO 0.00 -0.02 1.05 0.21 -1.32 0.00 0.00 175.29 175.21 2dlx s LYS 115 N -3.75 4.33 -0.15 9.60 2.20 -1.26 -3.19 119.74 127.52 2dlx s LYS 115 Ca 0.36 1.41 -0.11 0.00 -0.36 0.00 0.00 55.97 57.28 2dlx s LYS 115 Cb 0.06 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2dlx s LYS 115 CO 0.19 -0.49 -0.19 1.28 -0.36 0.00 0.00 175.35 175.79 2dlx n LEU 116 N 5.72 1.83 -4.35 5.43 4.77 -0.18 -5.03 117.00 125.18 2dlx n LEU 116 Ca 0.11 0.59 -0.18 0.00 -0.03 0.00 0.00 56.01 56.50 2dlx n LEU 116 Cb 0.47 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 2dlx n LEU 116 CO 0.52 -0.42 -0.26 0.68 -1.33 0.00 0.00 177.39 176.58 2dlx s VAL 117 N -2.33 0.74 -0.04 4.08 -7.23 -1.24 -5.01 120.40 109.37 2dlx s VAL 117 Ca -0.17 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 57.98 2dlx s VAL 117 Cb 0.02 -2.68 0.03 0.00 0.56 0.00 0.00 36.38 34.32 2dlx s VAL 117 CO 0.26 -0.01 0.09 -1.83 -0.31 0.00 0.00 175.10 173.30 2dlx s GLU 118 N -3.99 0.03 -0.05 4.82 1.03 -1.26 -3.49 118.70 115.79 2dlx s GLU 118 Ca 0.37 0.26 -0.02 0.00 0.03 0.00 0.00 54.97 55.61 2dlx s GLU 118 Cb 0.08 -0.19 0.03 0.00 -0.80 0.00 0.00 34.13 33.26 2dlx s GLU 118 CO 0.14 -0.15 0.08 -1.58 -1.33 0.00 0.00 175.26 172.42 2dlx s TRP 119 N 1.00 -0.00 -0.12 4.83 0.51 -1.07 -5.05 118.94 119.04 2dlx s TRP 119 Ca -0.08 0.33 -0.18 0.00 -2.12 0.00 0.00 56.10 54.05 2dlx s TRP 119 Cb -0.11 -0.40 -0.16 0.00 -0.81 0.00 0.00 33.47 31.99 2dlx s TRP 119 CO -0.04 -0.20 0.52 1.25 -0.51 0.00 0.00 176.95 177.97 2dlx h HIS 120 N 8.30 -0.02 -4.18 -1.98 2.76 -1.86 -3.15 115.15 115.02 2dlx h HIS 120 Ca -0.16 -0.00 -0.69 0.00 -2.20 0.00 0.00 60.37 57.32 2dlx h HIS 120 Cb 1.12 0.01 -0.25 0.00 1.55 0.00 0.00 27.41 29.84 2dlx h HIS 120 CO 0.47 0.59 -0.84 1.14 -1.30 0.00 0.00 177.93 177.99 2dlx s GLN 121 N -2.10 1.98 0.20 5.26 1.03 -1.26 -4.50 119.66 120.26 2dlx s GLN 121 Ca -0.12 -1.02 -0.05 0.00 0.04 0.00 0.00 55.36 54.21 2dlx s GLN 121 Cb -0.02 -2.09 -0.03 0.00 0.03 0.00 0.00 33.01 30.90 2dlx s GLN 121 CO 0.44 0.53 0.24 -0.51 -2.54 0.00 0.00 175.29 173.45 2dlx s LEU 122 N -1.23 0.95 0.29 2.60 1.02 -1.26 -4.98 118.68 116.05 2dlx s LEU 122 Ca 0.13 -1.18 -0.11 0.00 0.02 0.00 0.00 54.13 52.98 2dlx s LEU 122 Cb -0.10 0.86 0.00 0.00 0.02 0.00 0.00 46.19 46.97 2dlx s LEU 122 CO 0.03 -0.92 0.52 -0.62 0.02 0.00 0.00 176.35 175.37 2dlx s ASP 123 N -3.09 0.16 0.22 2.29 2.15 -1.26 -4.90 116.67 112.24 2dlx s ASP 123 Ca 0.31 -1.08 -0.09 0.00 0.43 0.00 0.00 52.55 52.11 2dlx s ASP 123 Cb 0.04 0.64 0.34 0.00 -0.30 0.00 0.00 42.92 43.64 2dlx s ASP 123 CO 0.09 -1.24 1.69 0.58 -0.17 0.00 0.00 175.17 176.12 2dlx h VAL 124 N 2.19 0.57 0.00 1.11 2.07 -1.90 0.50 116.25 120.80 2dlx h VAL 124 Ca -0.27 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2dlx h VAL 124 Cb 1.25 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2dlx h VAL 124 CO 0.37 0.04 -0.02 -1.28 0.02 0.00 0.00 177.57 176.70 2dlx h SER 125 N 0.23 0.00 0.04 0.57 0.87 -1.98 -3.27 113.55 110.01 2dlx h SER 125 Ca 0.34 -0.72 0.02 0.00 -1.23 0.00 0.00 61.79 60.21 2dlx h SER 125 Cb 0.54 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 2dlx h SER 125 CO -0.46 0.87 -0.48 -1.28 -0.53 0.00 0.00 176.83 174.95 2dlx h SER 126 N -1.00 -1.46 -0.40 6.23 0.87 -1.90 0.26 113.55 116.14 2dlx h SER 126 Ca -0.00 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2dlx h SER 126 Cb 0.73 0.56 -0.06 0.00 -0.44 0.00 0.00 62.40 63.19 2dlx h SER 126 CO -0.00 -0.51 -0.32 0.15 -0.53 0.00 0.00 176.83 175.62 2dlx h PHE 127 N -0.66 -1.01 0.28 2.24 3.04 -0.16 -0.63 116.94 120.03 2dlx h PHE 127 Ca 0.02 0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.04 2dlx h PHE 127 Cb 0.71 0.49 -0.03 0.00 2.56 0.00 0.00 35.95 39.68 2dlx h PHE 127 CO -0.46 -0.24 -0.42 -0.07 -2.02 0.00 0.00 178.31 175.11 2dlx h LEU 128 N -0.11 -1.18 -0.90 0.59 3.38 -1.55 0.34 115.31 115.89 2dlx h LEU 128 Ca 0.07 0.11 0.28 0.00 0.09 0.00 0.00 57.88 58.43 2dlx h LEU 128 Cb 0.28 0.42 -0.17 0.00 0.09 0.00 0.00 40.66 41.28 2dlx h LEU 128 CO -0.43 -0.53 0.15 -0.67 0.09 0.00 0.00 178.44 177.05 2dlx n ASP 129 N -5.49 0.01 -0.02 -0.43 2.03 0.88 0.44 116.55 113.98 2dlx n ASP 129 Ca -0.09 1.51 -0.00 0.00 0.52 0.00 0.00 54.79 56.73 2dlx n ASP 129 Cb 0.39 -0.60 -0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2dlx n ASP 129 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2dlx h GLN 130 N 0.00 0.00 -0.94 -0.67 4.20 -0.43 -3.26 115.11 114.01 2dlx h GLN 130 Ca 0.60 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.43 2dlx h GLN 130 Cb 1.37 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.02 2dlx h GLN 130 CO -0.80 0.00 -0.50 0.28 -0.67 0.00 0.00 178.83 177.14 2dlx h VAL 131 N -0.46 0.01 -1.01 -0.54 2.07 0.32 0.72 116.25 117.37 2dlx h VAL 131 Ca 0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 2dlx h VAL 131 Cb 0.01 0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 29.66 2dlx h VAL 131 CO 0.00 0.00 0.59 0.71 0.02 0.00 0.00 177.57 178.89 2dlx h THR 132 N -0.03 0.48 -0.01 2.57 1.35 -0.20 -1.06 112.91 116.01 2dlx h THR 132 Ca 0.23 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.90 2dlx h THR 132 Cb 0.50 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 2dlx h THR 132 CO -0.93 0.09 -0.02 1.23 -0.25 0.00 0.00 175.52 175.65 2dlx h GLY 133 N 0.52 0.03 -0.01 5.82 0.00 0.30 -3.25 103.07 106.47 2dlx h GLY 133 Ca 0.67 -0.04 0.21 0.00 0.00 0.00 0.00 47.33 48.17 2dlx h GLY 133 CO -0.50 0.03 0.52 -2.75 0.00 0.00 0.00 176.54 173.84 2dlx h PHE 134 N -0.60 0.90 0.41 5.60 3.04 0.34 0.19 116.94 126.82 2dlx h PHE 134 Ca -0.00 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 2dlx h PHE 134 Cb 0.66 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 2dlx h PHE 134 CO 0.15 0.11 -0.48 -0.07 -2.02 0.00 0.00 178.31 175.99 2dlx h LEU 135 N 0.60 -1.33 -0.39 0.59 3.38 -1.31 -0.21 115.31 116.63 2dlx h LEU 135 Ca 0.57 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.62 2dlx h LEU 135 Cb 0.99 0.45 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 2dlx h LEU 135 CO -0.44 -0.62 0.11 1.23 0.09 0.00 0.00 178.44 178.81 2dlx h GLY 136 N -0.91 0.66 0.16 0.83 0.00 -1.38 1.55 103.07 103.97 2dlx h GLY 136 Ca -0.04 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 46.92 2dlx h GLY 136 CO -0.10 0.37 -0.41 0.83 0.00 0.00 0.00 176.54 177.23 2dlx h GLU 137 N 0.48 -0.54 0.00 4.80 5.08 -0.51 -3.34 114.58 120.55 2dlx h GLU 137 Ca 0.12 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2dlx h GLU 137 Cb 0.28 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2dlx h GLU 137 CO -0.00 -0.36 -0.34 0.45 -1.00 0.00 0.00 179.01 177.76 2dlx h HIS 138 N -0.56 0.00 0.00 4.33 3.86 -1.03 -3.51 115.15 118.24 2dlx h HIS 138 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2dlx h HIS 138 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2dlx h HIS 138 CO -0.42 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.78 2dlx n GLY 139 N 1.67 3.02 3.70 2.45 0.00 0.53 -5.06 105.19 111.50 2dlx n GLY 139 Ca -0.05 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 2dlx n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dlx s GLN 140 N -4.57 1.31 0.29 1.61 0.74 -1.26 -4.91 119.66 112.87 2dlx s GLN 140 Ca 0.00 1.48 -0.01 0.00 0.05 0.00 0.00 55.36 56.88 2dlx s GLN 140 Cb 0.00 -1.77 0.47 0.00 1.10 0.00 0.00 33.01 32.81 2dlx s GLN 140 CO 0.00 -2.40 1.91 -0.07 -0.55 0.00 0.00 175.29 174.18 2dlx h LEU 141 N -1.67 0.97 0.00 3.68 4.07 -1.91 -3.15 115.31 117.31 2dlx h LEU 141 Ca -0.43 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.36 2dlx h LEU 141 Cb 1.26 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.77 2dlx h LEU 141 CO 0.44 0.63 -0.96 -0.78 -1.08 0.00 0.00 178.44 176.70 2dlx h ASP 142 N 1.11 0.00 -6.14 -0.43 3.58 -1.91 -3.50 116.42 109.13 2dlx h ASP 142 Ca 0.40 -0.59 -0.13 0.00 0.42 0.00 0.00 57.03 57.12 2dlx h ASP 142 Cb 0.14 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.20 2dlx h ASP 142 CO -0.14 1.36 -1.02 0.61 -2.88 0.00 0.00 179.24 177.17 2dlx n GLY 143 N 1.48 -0.72 0.19 -0.78 0.00 -1.19 -4.90 105.19 99.27 2dlx n GLY 143 Ca -0.26 0.59 -0.17 0.00 0.00 0.00 0.00 46.02 46.17 2dlx n GLY 143 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2dlx h LEU 144 N 2.86 0.79 0.10 0.99 -0.00 -1.96 -3.47 115.31 114.62 2dlx h LEU 144 Ca -0.19 -0.60 -0.39 0.00 -0.00 0.00 0.00 57.88 56.70 2dlx h LEU 144 Cb 0.99 -0.24 -0.20 0.00 -0.00 0.00 0.00 40.66 41.21 2dlx h LEU 144 CO 0.11 1.40 -0.57 -1.54 -0.00 0.00 0.00 178.44 177.84 2dlx n SER 145 N -3.84 -2.12 -0.03 0.17 3.41 -1.26 -4.80 113.62 105.15 2dlx n SER 145 Ca -0.09 -0.55 -0.08 0.00 -0.26 0.00 0.00 58.87 57.89 2dlx n SER 145 Cb 0.83 -1.83 -0.02 0.00 -0.26 0.00 0.00 64.21 62.92 2dlx n SER 145 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dlx h SER 146 N -0.68 -0.40 -3.25 4.04 4.64 -2.02 -3.40 113.55 112.48 2dlx h SER 146 Ca -0.39 0.09 -0.50 0.00 -0.47 0.00 0.00 61.79 60.51 2dlx h SER 146 Cb 1.26 0.21 -0.38 0.00 -0.31 0.00 0.00 62.40 63.18 2dlx h SER 146 CO 0.56 -0.16 -0.78 -0.55 -0.87 0.00 0.00 176.83 175.02 2dlx s SER 147 N -5.11 2.26 0.17 4.97 0.15 -1.26 -5.03 113.70 109.85 2dlx s SER 147 Ca -0.14 -0.40 -0.15 0.00 0.70 0.00 0.00 55.95 55.96 2dlx s SER 147 Cb 0.11 -0.70 0.13 0.00 -1.71 0.00 0.00 66.02 63.85 2dlx s SER 147 CO 0.68 -0.18 1.69 -1.28 1.20 0.00 0.00 173.24 175.35 2dlx h SER 148 N 8.22 -0.18 -0.44 5.45 0.87 -2.00 -3.41 113.55 122.05 2dlx h SER 148 Ca -0.23 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2dlx h SER 148 Cb 1.12 0.18 -0.17 0.00 -0.44 0.00 0.00 62.40 63.09 2dlx h SER 148 CO 0.35 -0.05 -0.22 -0.83 -0.53 0.00 0.00 176.83 175.55 2dlx s GLY 149 N -2.98 -1.54 0.22 5.77 0.00 -1.26 -5.03 107.32 102.50 2dlx s GLY 149 Ca -0.13 0.77 -0.01 0.00 0.00 0.00 0.00 44.72 45.34 2dlx s GLY 149 CO 0.71 4.12 1.59 -0.56 0.00 0.00 0.00 173.10 178.96 2dlx h PRO 150 N 5.46 0.54 -5.20 2.90 0.13 -2.01 -3.47 132.00 130.35 2dlx h PRO 150 Ca -0.00 -0.28 -0.33 0.00 -0.87 0.00 0.00 66.00 64.51 2dlx h PRO 150 Cb 1.20 0.01 0.13 0.00 0.13 0.00 0.00 31.00 32.47 2dlx h PRO 150 CO -0.04 0.87 -0.61 0.43 -0.23 0.00 0.00 178.00 178.41 2dlx n SER 151 N -4.02 -4.71 -3.84 1.44 7.64 -1.26 -5.02 113.62 103.85 2dlx n SER 151 Ca -0.02 -0.49 -0.12 0.00 1.01 0.00 0.00 58.87 59.25 2dlx n SER 151 Cb 0.53 -4.47 -0.14 0.00 -1.01 0.00 0.00 64.21 59.12 2dlx n SER 151 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dlx s SER 152 N -3.55 -0.04 0.00 6.43 0.15 -1.26 -5.33 113.70 110.10 2dlx s SER 152 Ca 0.36 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2dlx s SER 152 Cb -0.16 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2dlx s SER 152 CO 0.63 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.65