#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 6.22 0.19 1.61 0.15 -1.26 -4.94 113.70 115.67 2dlx s SER 2 Ca 0.00 -0.99 -0.10 0.00 0.70 0.00 0.00 55.95 55.55 2dlx s SER 2 Cb 0.00 -2.33 0.25 0.00 -1.71 0.00 0.00 66.02 62.23 2dlx s SER 2 CO 0.00 -1.06 1.17 -1.54 1.20 0.00 0.00 173.24 173.01 2dlx n SER 3 N 6.57 -0.40 0.00 5.45 3.41 -1.26 -4.73 113.62 122.66 2dlx n SER 3 Ca -0.06 1.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 2dlx n SER 3 Cb 0.45 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2dlx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dlx n GLY 4 N -1.40 3.79 3.04 5.00 0.00 -1.26 -5.18 105.19 109.18 2dlx n GLY 4 Ca 0.09 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 1.18 0.30 0.89 1.61 1.04 -1.26 -5.16 113.70 112.30 2dlx s SER 5 Ca 0.00 -0.65 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 2dlx s SER 5 Cb 0.00 0.16 0.13 0.00 0.10 0.00 0.00 66.02 66.40 2dlx s SER 5 CO 0.00 -0.43 1.09 -0.94 0.98 0.00 0.00 173.24 173.94 2dlx s SER 6 N -2.03 3.48 0.30 7.02 1.04 -1.26 -4.87 113.70 117.38 2dlx s SER 6 Ca -0.07 1.55 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2dlx s SER 6 Cb -0.03 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2dlx s SER 6 CO -0.04 -2.64 0.00 0.61 0.98 0.00 0.00 173.24 172.15 2dlx n GLY 7 N -1.03 -3.23 0.10 7.32 0.00 -1.26 -4.88 105.19 102.22 2dlx n GLY 7 Ca 0.07 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 2dlx n GLY 7 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dlx h ILE 8 N -0.27 0.99 -5.37 -0.61 2.04 -2.08 -3.49 117.51 108.72 2dlx h ILE 8 Ca -0.04 -2.22 -0.34 0.00 1.00 0.00 0.00 64.86 63.26 2dlx h ILE 8 Cb 0.56 2.38 0.14 0.00 -0.74 0.00 0.00 36.82 39.16 2dlx h ILE 8 CO 0.02 0.40 -0.65 0.47 0.00 0.00 0.00 178.15 178.38 2dlx n ASP 9 N -4.37 -4.34 -3.62 1.72 8.00 -1.26 -5.01 116.55 107.67 2dlx n ASP 9 Ca -0.30 -0.52 -0.17 0.00 0.71 0.00 0.00 54.79 54.51 2dlx n ASP 9 Cb 0.70 -4.66 -0.15 0.00 -0.02 0.00 0.00 41.12 36.99 2dlx n ASP 9 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dlx s LYS 10 N -5.79 0.08 -0.00 -1.24 -0.14 -1.26 -5.15 119.74 106.24 2dlx s LYS 10 Ca 0.31 0.45 -0.03 0.00 -1.36 0.00 0.00 55.97 55.34 2dlx s LYS 10 Cb -0.14 -0.58 -0.00 0.00 -1.68 0.00 0.00 37.83 35.43 2dlx s LYS 10 CO 0.66 -0.41 0.06 -1.59 -0.76 0.00 0.00 175.35 173.31 2dlx s LYS 11 N 2.30 0.28 0.09 1.68 -2.85 -1.26 -5.17 119.74 114.82 2dlx s LYS 11 Ca 0.04 -0.28 -0.24 0.00 -1.00 0.00 0.00 55.97 54.48 2dlx s LYS 11 Cb -0.13 0.11 0.06 0.00 -2.06 0.00 0.00 37.83 35.82 2dlx s LYS 11 CO -0.08 -0.05 0.59 -0.48 0.10 0.00 0.00 175.35 175.43 2dlx s LEU 12 N -0.88 -0.45 -0.13 2.77 2.34 -1.26 -5.16 118.68 115.91 2dlx s LEU 12 Ca -0.10 0.18 0.01 0.00 0.06 0.00 0.00 54.13 54.29 2dlx s LEU 12 Cb -0.06 2.46 -0.01 0.00 -0.56 0.00 0.00 46.19 48.03 2dlx s LEU 12 CO 0.00 -0.83 -0.16 0.28 -1.06 0.00 0.00 176.35 174.58 2dlx s THR 13 N -2.92 2.71 0.25 5.48 -1.32 -1.26 -5.11 115.64 113.48 2dlx s THR 13 Ca -0.03 -0.77 -0.13 0.00 -1.21 0.00 0.00 61.69 59.55 2dlx s THR 13 Cb -0.01 -2.12 -0.00 0.00 -1.51 0.00 0.00 72.50 68.86 2dlx s THR 13 CO -0.06 0.53 0.48 0.42 -2.21 0.00 0.00 174.62 173.78 2dlx s THR 14 N 0.51 0.00 0.80 5.08 -4.23 -1.26 -5.16 115.64 111.38 2dlx s THR 14 Ca -0.11 -1.41 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 2dlx s THR 14 Cb -0.16 -2.22 0.07 0.00 1.34 0.00 0.00 72.50 71.53 2dlx s THR 14 CO 0.04 0.00 1.11 -1.48 -0.54 0.00 0.00 174.62 173.76 2dlx s LEU 15 N -3.02 3.02 -0.36 4.79 2.34 -1.26 -5.01 118.68 119.18 2dlx s LEU 15 Ca 0.23 1.95 -0.08 0.00 0.06 0.00 0.00 54.13 56.29 2dlx s LEU 15 Cb -0.01 -4.54 0.04 0.00 -0.56 0.00 0.00 46.19 41.13 2dlx s LEU 15 CO 0.09 -2.29 0.16 0.00 -1.06 0.00 0.00 176.35 173.25 2dlx s ALA 16 N -2.76 3.15 -0.05 1.48 0.00 -1.26 -4.97 121.76 117.35 2dlx s ALA 16 Ca 0.64 -1.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 2dlx s ALA 16 Cb -0.19 -2.43 -0.17 0.00 0.00 0.00 0.00 23.12 20.34 2dlx s ALA 16 CO 0.55 -1.41 0.93 -0.44 0.00 0.00 0.00 175.76 175.39 2dlx h ASP 17 N 8.31 -0.17 -4.23 0.00 3.32 -2.04 -3.46 116.42 118.16 2dlx h ASP 17 Ca -0.24 -0.38 -0.42 0.00 0.02 0.00 0.00 57.03 56.01 2dlx h ASP 17 Cb 1.09 0.04 -0.27 0.00 0.22 0.00 0.00 39.33 40.41 2dlx h ASP 17 CO 0.65 0.39 -0.79 -0.76 -1.72 0.00 0.00 179.24 177.00 2dlx s LEU 18 N -9.01 2.09 0.15 1.55 1.43 -1.26 -5.05 118.68 108.58 2dlx s LEU 18 Ca -0.13 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 2dlx s LEU 18 Cb 0.01 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.68 2dlx s LEU 18 CO 0.51 0.07 1.80 -0.26 0.23 0.00 0.00 176.35 178.70 2dlx h PHE 19 N 5.42 0.43 -3.39 0.29 -1.00 -2.04 -3.43 116.94 113.22 2dlx h PHE 19 Ca -0.34 0.01 -0.22 0.00 2.81 0.00 0.00 57.97 60.23 2dlx h PHE 19 Cb 1.18 -0.14 -0.28 0.00 3.61 0.00 0.00 35.95 40.31 2dlx h PHE 19 CO 0.47 0.26 -0.59 1.03 -1.61 0.00 0.00 178.31 177.87 2dlx s ARG 20 N -6.16 0.12 0.56 1.51 0.52 -1.26 -5.15 118.95 109.08 2dlx s ARG 20 Ca -0.13 0.22 -0.19 0.00 -0.52 0.00 0.00 55.73 55.12 2dlx s ARG 20 Cb 0.10 -0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.51 2dlx s ARG 20 CO 0.72 -0.06 1.13 -1.25 0.02 0.00 0.00 175.30 175.85 2dlx s PRO 21 N 0.42 3.27 0.00 3.54 0.04 -1.26 -4.90 135.00 136.11 2dlx s PRO 21 Ca -0.03 1.58 0.08 0.00 0.04 0.00 0.00 61.00 62.66 2dlx s PRO 21 Cb -0.04 -2.00 0.46 0.00 0.04 0.00 0.00 34.50 32.96 2dlx s PRO 21 CO -0.02 -0.91 0.91 -0.35 0.04 0.00 0.00 177.00 176.68 2dlx n PRO 22 N -1.47 0.49 0.00 0.56 -0.04 -1.26 -3.15 135.00 130.13 2dlx n PRO 22 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2dlx n PRO 22 Cb 0.51 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.75 0.00 -0.30 0.52 -6.64 -1.26 -4.24 119.36 106.69 2dlx n ILE 23 Ca 0.06 0.00 0.19 0.00 -1.77 0.00 0.00 62.75 61.22 2dlx n ILE 23 Cb 0.03 -0.05 0.36 0.00 -1.44 0.00 0.00 39.64 38.53 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 -0.48 0.04 -0.09 7.28 8.00 -1.19 -2.19 116.55 127.92 2dlx n ASP 24 Ca 0.00 1.52 -0.11 0.00 0.71 0.00 0.00 54.79 56.90 2dlx n ASP 24 Cb 0.01 -0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 40.45 2dlx n ASP 24 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2dlx n LEU 25 N -5.22 1.86 -4.63 0.64 7.94 -1.26 -4.87 117.00 111.45 2dlx n LEU 25 Ca 0.26 0.50 -0.42 0.00 -1.11 0.00 0.00 56.01 55.23 2dlx n LEU 25 Cb 0.85 -0.86 -0.03 0.00 0.53 0.00 0.00 43.42 43.91 2dlx n LEU 25 CO -0.04 -0.18 1.64 -0.04 -1.11 0.00 0.00 177.39 177.66 2dlx s MET 26 N -2.43 3.74 -0.24 1.96 -1.94 -0.93 -4.58 119.30 114.88 2dlx s MET 26 Ca -0.23 2.23 -0.04 0.00 -1.71 0.00 0.00 55.69 55.94 2dlx s MET 26 Cb 0.04 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.68 2dlx s MET 26 CO 0.36 -1.40 -0.03 -1.58 -0.01 0.00 0.00 175.02 172.36 2dlx s HIS 27 N 5.88 3.00 -0.04 -0.03 5.04 -1.22 -4.66 115.29 123.26 2dlx s HIS 27 Ca 0.89 -1.10 -0.02 0.00 -1.54 0.00 0.00 55.06 53.29 2dlx s HIS 27 Cb -0.36 -2.11 0.03 0.00 0.04 0.00 0.00 32.58 30.18 2dlx s HIS 27 CO 0.37 -0.60 0.05 0.15 -2.34 0.00 0.00 174.74 172.37 2dlx s LYS 28 N 1.44 -0.02 0.00 2.88 1.02 -1.26 -4.56 119.74 119.24 2dlx s LYS 28 Ca 0.04 0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.37 2dlx s LYS 28 Cb -0.15 -0.51 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 2dlx s LYS 28 CO -0.03 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 2dlx n GLY 29 N 5.15 -2.04 3.42 -3.33 0.00 -1.26 -5.18 105.19 101.96 2dlx n GLY 29 Ca -0.06 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.42 2dlx n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlx s SER 30 N 1.47 1.03 -0.12 1.61 0.01 -1.26 -5.08 113.70 111.36 2dlx s SER 30 Ca 0.00 -1.53 -0.17 0.00 1.31 0.00 0.00 55.95 55.56 2dlx s SER 30 Cb 0.00 0.62 -0.26 0.00 0.21 0.00 0.00 66.02 66.59 2dlx s SER 30 CO 0.00 -1.20 0.49 2.19 0.41 0.00 0.00 173.24 175.13 2dlx h PHE 31 N 2.15 0.34 -0.19 2.43 -5.15 -1.97 -3.33 116.94 111.22 2dlx h PHE 31 Ca -0.28 -0.25 0.02 0.00 -0.20 0.00 0.00 57.97 57.26 2dlx h PHE 31 Cb 1.24 -0.01 -0.02 0.00 0.22 0.00 0.00 35.95 37.38 2dlx h PHE 31 CO 1.44 1.53 0.07 1.49 -2.00 0.00 0.00 178.31 180.84 2dlx h GLU 32 N -0.43 0.17 -0.15 6.09 4.81 -1.99 -3.10 114.58 119.97 2dlx h GLU 32 Ca -0.30 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 2dlx h GLU 32 Cb 1.66 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.95 2dlx h GLU 32 CO 0.01 0.11 -0.47 1.79 -0.73 0.00 0.00 179.01 179.72 2dlx h THR 33 N 0.17 0.00 -1.36 0.32 1.35 -1.98 0.14 112.91 111.54 2dlx h THR 33 Ca 0.08 0.00 0.41 0.00 -0.55 0.00 0.00 66.41 66.35 2dlx h THR 33 Cb 0.04 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.39 2dlx h THR 33 CO -0.08 0.00 0.96 0.00 -0.25 0.00 0.00 175.52 176.15 2dlx n ALA 34 N -2.95 1.32 -0.01 6.62 0.00 -1.17 0.24 120.51 124.55 2dlx n ALA 34 Ca -0.05 0.54 -0.20 0.00 0.00 0.00 0.00 53.44 53.73 2dlx n ALA 34 Cb 0.32 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 2dlx n ALA 34 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dlx n LYS 35 N -3.67 0.74 -0.12 0.00 5.02 0.26 -3.85 118.16 116.55 2dlx n LYS 35 Ca 0.33 0.25 -0.09 0.00 -2.02 0.00 0.00 58.31 56.77 2dlx n LYS 35 Cb 1.43 -1.69 -0.01 0.00 -0.02 0.00 0.00 35.03 34.74 2dlx n LYS 35 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2dlx h GLU 36 N 0.06 0.52 -0.01 1.97 4.11 0.54 -3.07 114.58 118.70 2dlx h GLU 36 Ca -0.44 -0.08 0.03 0.00 0.07 0.00 0.00 59.36 58.94 2dlx h GLU 36 Cb 2.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.14 2dlx h GLU 36 CO 0.07 0.47 -0.16 0.00 0.07 0.00 0.00 179.01 179.46 2dlx n GLY 38 N -1.29 -0.59 0.09 0.00 0.00 -1.16 -0.51 105.19 101.73 2dlx n GLY 38 Ca -0.05 0.61 -0.03 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.20 -0.41 1.61 4.20 -1.50 1.07 115.11 119.88 2dlx h GLN 39 Ca 0.66 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.46 2dlx h GLN 39 Cb 1.81 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 29.54 2dlx h GLN 39 CO -0.55 -0.13 -0.32 0.52 -0.67 0.00 0.00 178.83 177.68 2dlx h MET 40 N -0.30 -0.23 0.00 1.46 2.86 -1.01 0.18 114.93 117.88 2dlx h MET 40 Ca -0.02 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2dlx h MET 40 Cb 0.16 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2dlx h MET 40 CO 0.03 -0.16 -0.19 1.96 1.06 0.00 0.00 176.91 179.61 2dlx h GLN 41 N -0.24 0.00 -5.22 1.72 4.20 -0.91 -3.47 115.11 111.18 2dlx h GLN 41 Ca 0.18 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.58 2dlx h GLN 41 Cb 0.54 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.46 2dlx h GLN 41 CO -0.55 0.19 -0.66 0.09 -0.67 0.00 0.00 178.83 177.24 2dlx n ASN 42 N -3.35 -2.86 -4.17 1.46 3.02 0.35 -5.03 115.26 104.68 2dlx n ASN 42 Ca 0.00 -0.53 -0.17 0.00 -0.03 0.00 0.00 54.58 53.85 2dlx n ASN 42 Cb 0.42 -4.56 -0.12 0.00 -0.61 0.00 0.00 39.78 34.91 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 -5.40 0.81 1.23 3.52 1.02 -0.06 -3.96 119.74 116.89 2dlx s LYS 43 Ca 0.11 -1.01 -0.15 0.00 0.02 0.00 0.00 55.97 54.94 2dlx s LYS 43 Cb -0.05 -0.70 0.31 0.00 -0.52 0.00 0.00 37.83 36.87 2dlx s LYS 43 CO 0.64 0.14 1.01 -1.58 -0.92 0.00 0.00 175.35 174.64 2dlx s TRP 44 N -1.65 0.93 -0.25 3.18 0.23 -0.46 -4.46 118.94 116.45 2dlx s TRP 44 Ca -0.00 1.00 0.02 0.00 -2.03 0.00 0.00 56.10 55.09 2dlx s TRP 44 Cb -0.08 -3.06 0.06 0.00 0.03 0.00 0.00 33.47 30.42 2dlx s TRP 44 CO 0.02 -4.14 -0.07 -1.17 0.96 0.00 0.00 176.95 172.54 2dlx s LEU 45 N -7.35 3.09 -0.36 2.99 2.96 -1.10 -1.37 118.68 117.53 2dlx s LEU 45 Ca 0.68 -1.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 2dlx s LEU 45 Cb -0.22 -1.37 0.03 0.00 0.50 0.00 0.00 46.19 45.12 2dlx s LEU 45 CO 0.63 -0.22 0.18 -0.32 -1.32 0.00 0.00 176.35 175.29 2dlx s MET 46 N 1.23 2.80 0.18 1.98 -2.45 -1.24 -2.57 119.30 119.25 2dlx s MET 46 Ca -0.06 -1.08 0.09 0.00 -1.25 0.00 0.00 55.69 53.39 2dlx s MET 46 Cb -0.19 -3.65 -0.04 0.00 1.25 0.00 0.00 34.83 32.20 2dlx s MET 46 CO -0.06 -0.67 -0.13 0.42 1.05 0.00 0.00 175.02 175.63 2dlx s ILE 47 N 1.52 2.99 -0.16 10.11 1.01 -1.26 -3.05 121.20 132.36 2dlx s ILE 47 Ca 0.01 -1.75 -0.04 0.00 0.00 0.00 0.00 60.65 58.87 2dlx s ILE 47 Cb -0.19 -2.47 0.07 0.00 0.01 0.00 0.00 42.46 39.88 2dlx s ILE 47 CO 0.06 -0.12 0.16 0.21 0.00 0.00 0.00 174.94 175.25 2dlx s ASN 48 N -2.81 1.58 -0.27 3.58 3.84 -1.17 -3.95 114.94 115.73 2dlx s ASN 48 Ca 0.24 -0.24 -0.28 0.00 0.21 0.00 0.00 52.86 52.79 2dlx s ASN 48 Cb -0.08 0.13 0.01 0.00 -0.55 0.00 0.00 41.25 40.76 2dlx s ASN 48 CO 0.14 -0.32 1.03 -0.63 -2.79 0.00 0.00 177.10 174.53 2dlx s ILE 49 N 2.25 4.62 -0.18 -5.21 -1.09 -1.09 -3.68 121.20 116.82 2dlx s ILE 49 Ca 0.04 1.82 -0.04 0.00 -2.23 0.00 0.00 60.65 60.24 2dlx s ILE 49 Cb -0.15 -4.34 -0.03 0.00 -1.58 0.00 0.00 42.46 36.37 2dlx s ILE 49 CO -0.09 -0.31 -0.02 -1.10 -1.23 0.00 0.00 174.94 172.19 2dlx s GLN 50 N 3.36 3.65 0.31 2.79 -0.21 -1.18 -4.07 119.66 124.31 2dlx s GLN 50 Ca 0.43 -0.51 -0.12 0.00 0.02 0.00 0.00 55.36 55.18 2dlx s GLN 50 Cb -0.14 -3.00 -0.08 0.00 1.00 0.00 0.00 33.01 30.79 2dlx s GLN 50 CO 0.11 0.13 0.67 1.21 -2.12 0.00 0.00 175.29 175.29 2dlx s ASN 51 N 0.67 6.66 0.17 5.90 2.47 -1.26 -4.12 114.94 125.42 2dlx s ASN 51 Ca -0.01 1.11 0.09 0.00 0.42 0.00 0.00 52.86 54.47 2dlx s ASN 51 Cb -0.14 -2.30 -0.09 0.00 -1.45 0.00 0.00 41.25 37.26 2dlx s ASN 51 CO 0.02 -0.20 1.35 -0.37 -3.72 0.00 0.00 177.10 174.18 2dlx h VAL 52 N 1.79 1.51 0.10 -5.21 -1.51 -2.02 -3.34 116.25 107.57 2dlx h VAL 52 Ca -0.47 -3.04 -0.37 0.00 -1.23 0.00 0.00 66.70 61.58 2dlx h VAL 52 Cb 1.18 2.69 -0.03 0.00 -2.13 0.00 0.00 31.29 33.00 2dlx h VAL 52 CO 0.66 0.84 -2.08 0.00 -1.23 0.00 0.00 177.57 175.76 2dlx n GLN 53 N -3.36 0.73 -1.75 5.19 10.64 -1.26 -4.89 117.38 122.68 2dlx n GLN 53 Ca 0.00 0.25 -0.42 0.00 -1.83 0.00 0.00 57.00 55.00 2dlx n GLN 53 Cb 0.86 -1.67 -0.03 0.00 -0.86 0.00 0.00 30.24 28.54 2dlx n GLN 53 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2dlx s ASP 54 N -6.94 6.47 -0.07 2.61 2.15 -1.25 -4.90 116.67 114.72 2dlx s ASP 54 Ca -0.25 2.68 -0.19 0.00 0.43 0.00 0.00 52.55 55.21 2dlx s ASP 54 Cb 0.07 -2.56 -0.29 0.00 -0.30 0.00 0.00 42.92 39.84 2dlx s ASP 54 CO 0.73 -1.00 0.74 0.15 -0.17 0.00 0.00 175.17 175.62 2dlx h PHE 55 N 9.06 0.50 -0.61 -5.34 3.57 -1.90 -3.37 116.94 118.85 2dlx h PHE 55 Ca -0.46 -0.36 0.10 0.00 3.53 0.00 0.00 57.97 60.78 2dlx h PHE 55 Cb 1.22 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.84 2dlx h PHE 55 CO 0.83 1.42 -0.22 0.00 -2.23 0.00 0.00 178.31 178.11 2dlx n ALA 56 N -2.81 -0.04 -0.36 2.41 0.00 -1.26 0.67 120.51 119.12 2dlx n ALA 56 Ca -0.19 0.62 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 2dlx n ALA 56 Cb 0.86 -0.29 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -5.29 -0.41 -0.31 0.00 1.13 0.21 -0.01 117.38 112.69 2dlx n GLN 58 Ca 0.07 1.44 0.03 0.00 -1.94 0.00 0.00 57.00 56.59 2dlx n GLN 58 Cb 0.33 -2.11 0.10 0.00 0.11 0.00 0.00 30.24 28.66 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 -0.01 -0.55 -0.45 0.00 -0.00 -0.33 0.11 115.31 114.07 2dlx h LEU 60 Ca 0.40 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.34 2dlx h LEU 60 Cb 0.63 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 2dlx h LEU 60 CO -0.90 -0.20 0.18 -3.20 -0.00 0.00 0.00 178.44 174.32 2dlx n ASN 61 N -3.50 0.17 0.29 -0.43 2.85 -0.67 0.72 115.26 114.69 2dlx n ASN 61 Ca -0.03 0.46 -0.12 0.00 -0.11 0.00 0.00 54.58 54.78 2dlx n ASN 61 Cb 0.15 -0.45 -0.06 0.00 1.24 0.00 0.00 39.78 40.66 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 -0.76 0.00 1.20 1.12 0.10 -3.33 114.38 112.72 2dlx h ARG 62 Ca 0.00 0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.88 2dlx h ARG 62 Cb 0.37 0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 2dlx h ARG 62 CO 0.00 -0.51 -1.14 -0.25 -3.11 0.00 0.00 179.97 174.96 2dlx n ASP 63 N -5.29 4.00 0.00 -3.80 8.00 -0.80 -4.37 116.55 114.29 2dlx n ASP 63 Ca -0.10 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.39 2dlx n ASP 63 Cb 0.31 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2dlx n ASP 63 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2dlx n VAL 64 N -2.43 0.00 1.33 2.53 0.31 0.22 0.34 118.33 120.63 2dlx n VAL 64 Ca -0.04 1.49 0.01 0.00 -0.01 0.00 0.00 64.34 65.79 2dlx n VAL 64 Cb 0.55 -2.39 0.02 0.00 -0.91 0.00 0.00 33.84 31.11 2dlx n VAL 64 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2dlx n TRP 65 N -2.18 0.10 -0.05 3.52 5.03 -0.80 -3.33 117.44 119.74 2dlx n TRP 65 Ca 0.00 -0.04 -0.06 0.00 3.03 0.00 0.00 57.50 60.43 2dlx n TRP 65 Cb 0.00 -0.07 -0.06 0.00 -1.03 0.00 0.00 31.31 30.15 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 -0.14 3.03 -4.68 -0.99 2.88 -0.99 -4.90 113.62 107.82 2dlx n SER 66 Ca 0.02 -0.04 -0.49 0.00 -1.33 0.00 0.00 58.87 57.03 2dlx n SER 66 Cb 0.19 0.17 -0.05 0.00 -0.75 0.00 0.00 64.21 63.77 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 3.37 -0.21 -3.46 2.85 0.15 -4.85 115.26 110.48 2dlx n ASN 67 Ca -0.18 0.97 -0.01 0.00 -0.11 0.00 0.00 54.58 55.25 2dlx n ASN 67 Cb 0.74 -1.35 0.05 0.00 1.24 0.00 0.00 39.78 40.46 2dlx n ASN 67 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 2dlx h GLU 68 N 9.16 -0.04 -0.64 1.20 4.11 -1.91 -0.60 114.58 125.86 2dlx h GLU 68 Ca -0.48 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.07 2dlx h GLU 68 Cb 1.28 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.41 2dlx h GLU 68 CO 0.95 -0.02 -0.26 0.00 0.07 0.00 0.00 179.01 179.74 2dlx h ALA 69 N 1.50 0.18 -0.67 1.06 0.00 -1.97 0.28 119.26 119.64 2dlx h ALA 69 Ca 0.29 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.44 2dlx h ALA 69 Cb 0.49 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2dlx h ALA 69 CO -0.66 -0.56 0.41 0.28 0.00 0.00 0.00 179.25 178.72 2dlx h VAL 70 N -0.09 1.07 0.08 0.00 2.07 -1.44 -1.97 116.25 115.97 2dlx h VAL 70 Ca 0.28 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2dlx h VAL 70 Cb 0.53 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2dlx h VAL 70 CO -0.70 0.15 -0.04 0.11 0.02 0.00 0.00 177.57 177.11 2dlx h LYS 71 N 0.80 -0.10 -0.34 1.57 1.57 -0.12 0.26 116.57 120.21 2dlx h LYS 71 Ca 0.27 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.16 2dlx h LYS 71 Cb 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2dlx h LYS 71 CO -0.12 0.01 0.28 -0.91 -0.57 0.00 0.00 179.45 178.14 2dlx h ASN 72 N -0.19 0.00 0.08 0.86 2.35 -0.30 0.23 115.58 118.61 2dlx h ASN 72 Ca -0.01 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.55 2dlx h ASN 72 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2dlx h ASN 72 CO 0.02 0.00 -0.96 0.40 -1.65 0.00 0.00 177.43 175.24 2dlx h ILE 73 N 0.00 1.28 0.00 2.81 2.04 -0.77 -2.31 117.51 120.56 2dlx h ILE 73 Ca 0.16 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.63 2dlx h ILE 73 Cb 0.71 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 2dlx h ILE 73 CO -0.00 0.62 0.00 -0.38 0.00 0.00 0.00 178.15 178.39 2dlx n ILE 74 N -4.19 0.47 -0.08 -0.67 5.41 0.86 0.30 119.36 121.46 2dlx n ILE 74 Ca -0.20 0.12 -0.08 0.00 1.00 0.00 0.00 62.75 63.58 2dlx n ILE 74 Cb 0.76 -0.81 -0.11 0.00 -0.71 0.00 0.00 39.64 38.77 2dlx n ILE 74 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2dlx n ARG 75 N -1.31 1.36 -0.13 0.38 1.85 0.76 -0.58 116.66 118.99 2dlx n ARG 75 Ca 0.08 0.01 -0.27 0.00 -1.00 0.00 0.00 57.85 56.68 2dlx n ARG 75 Cb 0.16 -1.39 -0.10 0.00 -1.05 0.00 0.00 32.46 30.08 2dlx n ARG 75 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2dlx n GLU 76 N -2.64 0.58 -0.04 2.89 2.13 -0.87 -4.68 120.64 118.00 2dlx n GLU 76 Ca -0.26 0.36 -0.11 0.00 0.66 0.00 0.00 57.16 57.81 2dlx n GLU 76 Cb 0.97 -1.57 -0.09 0.00 0.27 0.00 0.00 31.44 31.02 2dlx n GLU 76 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dlx h HIS 77 N -1.00 -0.03 -0.60 4.31 3.86 -0.35 -3.47 115.15 117.87 2dlx h HIS 77 Ca -0.58 -0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.05 2dlx h HIS 77 Cb 1.50 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.93 2dlx h HIS 77 CO -0.05 0.66 -0.30 -0.06 0.86 0.00 0.00 177.93 179.04 2dlx s PHE 78 N -2.39 1.66 -0.44 2.45 0.40 -0.63 -1.36 117.98 117.67 2dlx s PHE 78 Ca -0.14 -0.83 -0.10 0.00 -0.60 0.00 0.00 56.93 55.26 2dlx s PHE 78 Cb -0.02 -1.92 0.09 0.00 0.51 0.00 0.00 43.02 41.68 2dlx s PHE 78 CO 0.52 -0.47 0.29 0.42 0.70 0.00 0.00 175.22 176.68 2dlx s ILE 79 N -2.76 4.29 -0.51 0.64 -1.09 -0.47 -3.18 121.20 118.12 2dlx s ILE 79 Ca 0.35 -1.48 -0.31 0.00 -2.23 0.00 0.00 60.65 56.97 2dlx s ILE 79 Cb -0.02 -3.67 -0.12 0.00 -1.58 0.00 0.00 42.46 37.07 2dlx s ILE 79 CO 0.22 -0.58 2.36 0.33 -1.23 0.00 0.00 174.94 176.03 2dlx n PHE 80 N 4.93 1.36 -3.61 3.97 7.35 0.26 -3.61 117.46 128.12 2dlx n PHE 80 Ca -0.10 0.23 -0.20 0.00 -0.76 0.00 0.00 57.45 56.62 2dlx n PHE 80 Cb 0.42 -2.55 -0.16 0.00 0.35 0.00 0.00 39.48 37.55 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 9.22 -0.07 -0.11 -5.13 -0.00 -1.17 -3.43 118.94 118.24 2dlx s TRP 81 Ca 1.11 0.23 0.01 0.00 -0.00 0.00 0.00 56.10 57.45 2dlx s TRP 81 Cb -0.70 -0.43 0.02 0.00 -0.00 0.00 0.00 33.47 32.36 2dlx s TRP 81 CO 0.41 -0.41 -0.15 -1.14 -0.00 0.00 0.00 176.95 175.67 2dlx s GLN 82 N 2.25 2.18 0.10 5.86 0.74 -1.26 -3.05 119.66 126.47 2dlx s GLN 82 Ca 0.04 -0.54 -0.01 0.00 0.05 0.00 0.00 55.36 54.90 2dlx s GLN 82 Cb -0.14 -1.88 -0.04 0.00 1.10 0.00 0.00 33.01 32.05 2dlx s GLN 82 CO -0.08 -0.08 0.01 0.14 -0.55 0.00 0.00 175.29 174.73 2dlx s VAL 83 N 1.05 0.24 0.37 1.34 -7.23 -1.24 -5.02 120.40 109.92 2dlx s VAL 83 Ca -0.05 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.21 2dlx s VAL 83 Cb -0.15 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2dlx s VAL 83 CO -0.03 -0.69 0.62 -0.31 -0.31 0.00 0.00 175.10 174.39 2dlx s TYR 84 N -3.94 3.51 0.07 2.82 1.51 -1.26 -3.08 117.35 116.99 2dlx s TYR 84 Ca 0.17 0.55 -0.21 0.00 -1.01 0.00 0.00 57.07 56.57 2dlx s TYR 84 Cb 0.07 -2.06 -0.12 0.00 -0.11 0.00 0.00 41.96 39.75 2dlx s TYR 84 CO -0.03 0.02 1.54 1.12 -1.11 0.00 0.00 175.55 177.09 2dlx h HIS 85 N 0.80 0.25 -0.30 2.71 2.07 -1.90 -2.29 115.15 116.49 2dlx h HIS 85 Ca -0.48 -0.03 0.04 0.00 -2.85 0.00 0.00 60.37 57.04 2dlx h HIS 85 Cb 1.21 -0.07 -0.04 0.00 2.57 0.00 0.00 27.41 31.08 2dlx h HIS 85 CO 0.54 0.40 0.08 -0.44 -3.07 0.00 0.00 177.93 175.45 2dlx h ASP 86 N 0.03 0.05 -2.03 3.10 3.32 -1.94 -2.83 116.42 116.13 2dlx h ASP 86 Ca 0.05 0.04 -0.62 0.00 0.02 0.00 0.00 57.03 56.51 2dlx h ASP 86 Cb 0.28 0.05 0.05 0.00 0.22 0.00 0.00 39.33 39.93 2dlx h ASP 86 CO 0.00 0.06 0.76 -1.54 -1.72 0.00 0.00 179.24 176.81 2dlx n SER 87 N -5.06 2.71 -0.25 6.45 3.41 -1.19 -4.69 113.62 115.00 2dlx n SER 87 Ca -0.00 1.07 0.23 0.00 -0.26 0.00 0.00 58.87 59.91 2dlx n SER 87 Cb 0.12 -1.34 0.40 0.00 -0.26 0.00 0.00 64.21 63.14 2dlx n SER 87 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2dlx n GLU 88 N 3.82 -0.03 0.18 4.33 4.07 -1.26 0.12 120.64 131.87 2dlx n GLU 88 Ca 0.19 0.84 -0.15 0.00 -0.06 0.00 0.00 57.16 57.98 2dlx n GLU 88 Cb 0.25 -1.57 -0.07 0.00 -0.06 0.00 0.00 31.44 29.99 2dlx n GLU 88 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2dlx h GLU 89 N 0.00 -0.66 -0.59 5.31 3.07 -1.86 -2.45 114.58 117.40 2dlx h GLU 89 Ca 0.55 0.05 0.08 0.00 -0.50 0.00 0.00 59.36 59.54 2dlx h GLU 89 Cb 1.61 0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 29.60 2dlx h GLU 89 CO -0.39 -0.44 0.24 0.78 -1.40 0.00 0.00 179.01 177.79 2dlx h GLY 90 N -0.69 0.83 -0.07 -3.84 0.00 0.16 -2.80 103.07 96.66 2dlx h GLY 90 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.22 2dlx h GLY 90 CO -0.13 0.01 -0.52 1.46 0.00 0.00 0.00 176.54 177.36 2dlx h GLN 91 N 0.43 -0.58 -0.95 4.80 1.08 -1.20 0.20 115.11 118.88 2dlx h GLN 91 Ca 0.29 0.04 0.28 0.00 -1.45 0.00 0.00 58.65 57.81 2dlx h GLN 91 Cb 0.33 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.86 2dlx h GLN 91 CO -0.28 -0.38 0.78 0.00 -0.95 0.00 0.00 178.83 178.00 2dlx h ARG 92 N -0.60 0.00 0.11 1.46 3.08 -1.19 0.23 114.38 117.47 2dlx h ARG 92 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2dlx h ARG 92 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2dlx h ARG 92 CO -0.38 0.00 -0.05 -0.92 -1.07 0.00 0.00 179.97 177.54 2dlx h TYR 93 N 0.00 -0.14 -0.03 3.04 3.20 -0.47 -3.15 116.97 119.42 2dlx h TYR 93 Ca 0.45 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.33 2dlx h TYR 93 Cb 2.01 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 40.33 2dlx h TYR 93 CO 0.00 0.35 0.06 0.82 -1.64 0.00 0.00 178.16 177.75 2dlx h ILE 94 N -0.76 0.28 -0.28 1.81 2.04 0.06 -2.63 117.51 118.03 2dlx h ILE 94 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2dlx h ILE 94 Cb 0.55 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2dlx h ILE 94 CO 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 178.01 2dlx n GLN 95 N -3.48 -0.12 -0.06 2.37 6.02 -0.68 0.76 117.38 122.19 2dlx n GLN 95 Ca -0.02 0.93 -0.19 0.00 -0.01 0.00 0.00 57.00 57.71 2dlx n GLN 95 Cb 0.14 -1.38 -0.13 0.00 1.02 0.00 0.00 30.24 29.89 2dlx n GLN 95 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 2dlx n PHE 96 N -3.56 0.66 -0.34 1.08 -1.74 -1.21 -4.31 117.46 108.04 2dlx n PHE 96 Ca 0.01 0.15 0.07 0.00 -0.56 0.00 0.00 57.45 57.11 2dlx n PHE 96 Cb 0.07 -1.09 0.23 0.00 1.52 0.00 0.00 39.48 40.22 2dlx n PHE 96 CO 0.00 0.00 0.00 1.88 -0.56 0.00 0.00 176.76 178.08 2dlx h TYR 97 N 0.03 1.05 -3.54 2.97 -1.99 -1.36 -3.46 116.97 110.68 2dlx h TYR 97 Ca -0.49 0.03 -0.38 0.00 2.00 0.00 0.00 58.73 59.90 2dlx h TYR 97 Cb 1.99 -0.33 0.03 0.00 2.00 0.00 0.00 36.73 40.42 2dlx h TYR 97 CO 0.05 0.38 -0.53 1.63 -0.00 0.00 0.00 178.16 179.69 2dlx n LYS 98 N -4.68 -3.28 -1.27 4.88 4.76 0.23 -4.93 118.16 113.87 2dlx n LYS 98 Ca 0.18 0.87 -0.36 0.00 -2.87 0.00 0.00 58.31 56.14 2dlx n LYS 98 Cb 0.37 -5.52 0.07 0.00 -1.84 0.00 0.00 35.03 28.12 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 -3.31 1.24 0.00 -0.35 0.00 -1.26 -4.93 117.00 108.39 2dlx n LEU 99 Ca -0.16 0.60 0.00 0.00 0.00 0.00 0.00 56.01 56.46 2dlx n LEU 99 Cb 0.64 -1.24 0.00 0.00 0.00 0.00 0.00 43.42 42.81 2dlx n LEU 99 CO 0.36 -2.95 0.00 0.61 0.00 0.00 0.00 177.39 175.42 2dlx n GLY 100 N 1.56 0.00 3.45 -3.96 0.00 -1.26 -5.03 105.19 99.95 2dlx n GLY 100 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2dlx n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dlx s ASP 101 N -0.71 2.33 0.05 1.61 2.15 -1.26 -5.17 116.67 115.66 2dlx s ASP 101 Ca 0.00 -1.48 -0.02 0.00 0.43 0.00 0.00 52.55 51.48 2dlx s ASP 101 Cb 0.00 0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.75 2dlx s ASP 101 CO 0.00 -0.74 -0.01 -0.36 -0.17 0.00 0.00 175.17 173.89 2dlx s PHE 102 N -3.34 0.42 0.79 -5.34 0.40 -1.26 -4.22 117.98 105.43 2dlx s PHE 102 Ca 0.32 -0.89 -0.11 0.00 -0.60 0.00 0.00 56.93 55.66 2dlx s PHE 102 Cb 0.06 -0.31 0.07 0.00 0.51 0.00 0.00 43.02 43.35 2dlx s PHE 102 CO 0.15 -0.35 1.09 -1.25 0.70 0.00 0.00 175.22 175.56 2dlx s PRO 103 N -3.31 2.11 -0.09 0.24 0.04 -1.26 -4.89 135.00 127.83 2dlx s PRO 103 Ca 0.01 1.12 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 2dlx s PRO 103 Cb 0.03 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.73 2dlx s PRO 103 CO -0.08 -1.73 0.03 -0.47 0.04 0.00 0.00 177.00 174.79 2dlx s TYR 104 N -2.91 0.50 0.00 0.56 6.14 -1.26 -4.74 117.35 115.64 2dlx s TYR 104 Ca 0.61 -0.16 0.01 0.00 0.64 0.00 0.00 57.07 58.18 2dlx s TYR 104 Cb -0.17 -0.73 -0.01 0.00 0.42 0.00 0.00 41.96 41.47 2dlx s TYR 104 CO 0.56 -0.35 -0.03 0.08 0.64 0.00 0.00 175.55 176.45 2dlx s VAL 105 N 2.03 0.25 0.16 3.14 1.01 -1.18 -2.67 120.40 123.14 2dlx s VAL 105 Ca 0.04 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 2dlx s VAL 105 Cb -0.13 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.05 2dlx s VAL 105 CO -0.05 -0.02 0.52 -0.44 0.00 0.00 0.00 175.10 175.11 2dlx s SER 106 N -0.31 -0.37 -0.22 3.32 0.01 -1.25 -2.15 113.70 112.73 2dlx s SER 106 Ca -0.01 -0.25 -0.13 0.00 1.31 0.00 0.00 55.95 56.87 2dlx s SER 106 Cb -0.03 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.72 2dlx s SER 106 CO -0.00 -0.97 0.29 -0.63 0.41 0.00 0.00 173.24 172.34 2dlx s ILE 107 N -3.80 5.27 -0.03 1.44 1.09 -1.14 -4.05 121.20 119.98 2dlx s ILE 107 Ca 0.04 0.47 0.05 0.00 -1.10 0.00 0.00 60.65 60.12 2dlx s ILE 107 Cb -0.00 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.74 2dlx s ILE 107 CO -0.09 0.29 -0.18 -0.22 -0.10 0.00 0.00 174.94 174.64 2dlx s LEU 108 N 1.21 2.52 -0.23 2.97 1.98 -1.06 -3.03 118.68 123.04 2dlx s LEU 108 Ca 0.14 -0.31 -0.11 0.00 -2.89 0.00 0.00 54.13 50.96 2dlx s LEU 108 Cb -0.14 -1.49 -0.05 0.00 0.66 0.00 0.00 46.19 45.17 2dlx s LEU 108 CO 0.06 0.32 0.19 -1.81 -1.89 0.00 0.00 176.35 173.23 2dlx s ASP 109 N -0.82 6.18 0.51 3.68 1.11 -1.26 -2.72 116.67 123.35 2dlx s ASP 109 Ca 0.12 0.19 0.30 0.00 0.18 0.00 0.00 52.55 53.33 2dlx s ASP 109 Cb -0.10 -2.12 1.24 0.00 1.07 0.00 0.00 42.92 43.01 2dlx s ASP 109 CO 0.01 0.07 1.95 1.55 1.18 0.00 0.00 175.17 179.92 2dlx h PRO 110 N 7.35 0.00 0.49 8.23 0.13 -1.87 0.81 132.00 147.13 2dlx h PRO 110 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2dlx h PRO 110 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2dlx h PRO 110 CO 0.68 0.10 -0.24 0.00 -0.23 0.00 0.00 178.00 178.32 2dlx h ARG 111 N 0.00 -0.64 0.03 0.86 3.08 -1.93 -3.40 114.38 112.39 2dlx h ARG 111 Ca -0.00 0.04 -0.36 0.00 0.07 0.00 0.00 59.98 59.73 2dlx h ARG 111 Cb 0.56 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 2dlx h ARG 111 CO 0.01 -0.35 -2.06 0.25 -1.07 0.00 0.00 179.97 176.75 2dlx n THR 112 N -5.23 1.59 -1.23 2.04 -2.24 -1.23 -5.03 114.28 102.95 2dlx n THR 112 Ca -0.10 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2dlx n THR 112 Cb 0.30 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 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 1.73 1.03 3.10 3.38 0.00 0.28 -5.05 105.19 109.66 2dlx n GLY 113 Ca -0.41 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.62 1.93 -0.33 1.61 0.74 -1.26 -4.91 119.66 114.82 2dlx s GLN 114 Ca 0.00 -0.56 -0.29 0.00 0.05 0.00 0.00 55.36 54.56 2dlx s GLN 114 Cb 0.00 -1.59 -0.07 0.00 1.10 0.00 0.00 33.01 32.45 2dlx s GLN 114 CO 0.00 0.14 2.28 1.17 -0.55 0.00 0.00 175.29 178.33 2dlx n LYS 115 N 3.48 1.55 -0.06 1.67 4.81 -1.26 -4.12 118.16 124.22 2dlx n LYS 115 Ca -0.20 0.35 -0.13 0.00 -0.87 0.00 0.00 58.31 57.46 2dlx n LYS 115 Cb 0.52 -3.13 -0.11 0.00 0.02 0.00 0.00 35.03 32.34 2dlx n LYS 115 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2dlx h LEU 116 N 15.72 -0.01 -8.56 3.14 3.38 -1.94 -3.47 115.31 123.57 2dlx h LEU 116 Ca -0.34 -0.84 -0.55 0.00 0.09 0.00 0.00 57.88 56.24 2dlx h LEU 116 Cb 1.26 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.77 2dlx h LEU 116 CO 1.03 0.88 -0.83 0.68 0.09 0.00 0.00 178.44 180.29 2dlx s VAL 117 N -2.38 1.60 -0.04 1.22 -7.23 -1.26 -5.06 120.40 107.24 2dlx s VAL 117 Ca -0.17 -1.29 0.04 0.00 -1.81 0.00 0.00 61.98 58.76 2dlx s VAL 117 Cb -0.02 -1.42 -0.00 0.00 0.56 0.00 0.00 36.38 35.50 2dlx s VAL 117 CO 0.62 0.08 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.63 2dlx s GLU 118 N -1.42 1.68 -0.15 4.82 -6.30 -1.26 -2.87 118.70 113.20 2dlx s GLU 118 Ca 0.06 -0.58 -0.01 0.00 -2.50 0.00 0.00 54.97 51.93 2dlx s GLU 118 Cb -0.09 -1.48 0.04 0.00 0.00 0.00 0.00 34.13 32.60 2dlx s GLU 118 CO 0.02 0.24 -0.01 -1.58 0.02 0.00 0.00 175.26 173.95 2dlx s TRP 119 N 0.01 1.23 -0.12 5.30 0.51 -0.91 -5.03 118.94 119.93 2dlx s TRP 119 Ca -0.03 -0.76 -0.10 0.00 -2.12 0.00 0.00 56.10 53.09 2dlx s TRP 119 Cb -0.11 -1.09 -0.09 0.00 -0.81 0.00 0.00 33.47 31.37 2dlx s TRP 119 CO 0.02 -0.53 0.25 1.25 -0.51 0.00 0.00 176.95 177.43 2dlx h HIS 120 N 8.21 0.00 -3.55 -1.98 -0.00 -1.88 -3.11 115.15 112.84 2dlx h HIS 120 Ca -0.21 0.00 -0.62 0.00 -0.00 0.00 0.00 60.37 59.54 2dlx h HIS 120 Cb 1.12 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.39 2dlx h HIS 120 CO 0.41 0.35 -0.45 1.14 -0.00 0.00 0.00 177.93 179.38 2dlx s GLN 121 N -1.80 4.09 0.15 5.26 -2.07 -1.26 -4.56 119.66 119.47 2dlx s GLN 121 Ca -0.07 -0.18 0.05 0.00 -1.82 0.00 0.00 55.36 53.34 2dlx s GLN 121 Cb -0.01 -3.53 -0.04 0.00 -1.09 0.00 0.00 33.01 28.34 2dlx s GLN 121 CO 0.24 0.05 -0.12 -1.17 -1.32 0.00 0.00 175.29 172.98 2dlx s LEU 122 N 1.07 2.50 0.24 2.60 2.96 -1.26 -4.99 118.68 121.80 2dlx s LEU 122 Ca 0.10 -0.95 -0.14 0.00 -0.22 0.00 0.00 54.13 52.91 2dlx s LEU 122 Cb -0.14 -0.44 0.00 0.00 0.50 0.00 0.00 46.19 46.11 2dlx s LEU 122 CO 0.05 -0.26 0.49 -1.81 -1.32 0.00 0.00 176.35 173.51 2dlx s ASP 123 N -2.97 -0.12 0.13 3.68 1.01 -1.26 -4.94 116.67 112.20 2dlx s ASP 123 Ca 0.15 -0.84 -0.19 0.00 0.71 0.00 0.00 52.55 52.38 2dlx s ASP 123 Cb -0.00 0.59 -0.04 0.00 1.01 0.00 0.00 42.92 44.48 2dlx s ASP 123 CO 0.02 -1.13 1.76 0.58 0.21 0.00 0.00 175.17 176.61 2dlx h VAL 124 N 2.24 0.99 -0.01 -1.27 2.07 -1.93 0.55 116.25 118.88 2dlx h VAL 124 Ca -0.26 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 2dlx h VAL 124 Cb 1.25 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2dlx h VAL 124 CO 0.35 0.04 -0.16 -1.28 0.02 0.00 0.00 177.57 176.55 2dlx h SER 125 N 0.23 0.16 0.77 0.57 0.87 -2.00 -3.27 113.55 110.89 2dlx h SER 125 Ca 0.09 -0.73 -0.04 0.00 -1.23 0.00 0.00 61.79 59.89 2dlx h SER 125 Cb 0.03 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2dlx h SER 125 CO -0.07 0.87 -0.40 0.28 -0.53 0.00 0.00 176.83 176.98 2dlx h SER 126 N -0.53 -0.96 -0.82 6.23 0.02 -1.94 -2.21 113.55 113.34 2dlx h SER 126 Ca -0.02 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2dlx h SER 126 Cb 0.88 0.26 -0.10 0.00 0.14 0.00 0.00 62.40 63.58 2dlx h SER 126 CO 0.03 -0.66 -0.48 0.33 -1.14 0.00 0.00 176.83 174.92 2dlx n PHE 127 N -5.56 -0.35 0.09 3.45 7.35 0.19 -0.21 117.46 122.43 2dlx n PHE 127 Ca -0.15 1.02 -0.12 0.00 -0.76 0.00 0.00 57.45 57.45 2dlx n PHE 127 Cb 0.44 -0.57 -0.05 0.00 0.35 0.00 0.00 39.48 39.64 2dlx n PHE 127 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dlx h LEU 128 N 0.00 -0.71 -0.70 -2.13 3.38 -1.59 0.34 115.31 113.90 2dlx h LEU 128 Ca 0.14 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.26 2dlx h LEU 128 Cb 0.34 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 2dlx h LEU 128 CO -0.77 -0.33 -0.56 -0.78 0.09 0.00 0.00 178.44 176.10 2dlx h ASP 129 N -0.42 -1.97 0.59 -0.43 1.82 0.06 0.61 116.42 116.69 2dlx h ASP 129 Ca 0.04 0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.93 2dlx h ASP 129 Cb 0.47 0.84 0.01 0.00 0.68 0.00 0.00 39.33 41.33 2dlx h ASP 129 CO -0.17 -0.30 -0.28 1.56 -1.61 0.00 0.00 179.24 178.43 2dlx h GLN 130 N -0.18 -0.77 -0.22 0.28 4.20 -0.96 -2.94 115.11 114.52 2dlx h GLN 130 Ca 0.12 0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.90 2dlx h GLN 130 Cb 0.48 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2dlx h GLN 130 CO -0.76 -0.51 -0.18 0.28 -0.67 0.00 0.00 178.83 177.00 2dlx h VAL 131 N -0.98 0.00 -0.90 -0.54 2.07 -0.05 0.21 116.25 116.06 2dlx h VAL 131 Ca -0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.61 2dlx h VAL 131 Cb 0.61 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.21 2dlx h VAL 131 CO 0.13 0.00 -0.25 0.35 0.02 0.00 0.00 177.57 177.82 2dlx n THR 132 N -3.61 -0.40 0.31 2.57 -2.24 0.21 -0.87 114.28 110.25 2dlx n THR 132 Ca -0.00 2.07 -0.16 0.00 -2.27 0.00 0.00 64.05 63.69 2dlx n THR 132 Cb 0.09 -2.84 -0.08 0.00 -2.10 0.00 0.00 70.33 65.40 2dlx n THR 132 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2dlx h GLY 133 N 0.00 -0.81 -0.70 3.38 0.00 -0.89 -2.23 103.07 101.81 2dlx h GLY 133 Ca 0.41 0.30 0.30 0.00 0.00 0.00 0.00 47.33 48.34 2dlx h GLY 133 CO -0.92 -0.30 0.33 -2.75 0.00 0.00 0.00 176.54 172.91 2dlx h PHE 134 N -0.97 0.50 -0.35 5.60 3.57 0.13 0.57 116.94 125.99 2dlx h PHE 134 Ca -0.08 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 2dlx h PHE 134 Cb 0.65 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2dlx h PHE 134 CO -0.00 -0.31 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.67 2dlx h LEU 135 N 0.14 0.63 -0.81 0.59 3.38 -1.06 0.69 115.31 118.86 2dlx h LEU 135 Ca 0.67 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 2dlx h LEU 135 Cb 1.52 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 2dlx h LEU 135 CO -0.73 0.80 0.34 1.23 0.09 0.00 0.00 178.44 180.17 2dlx h GLY 136 N 0.44 1.30 0.30 0.83 0.00 0.63 1.10 103.07 107.65 2dlx h GLY 136 Ca 0.10 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 2dlx h GLY 136 CO 0.02 0.66 -0.12 -2.09 0.00 0.00 0.00 176.54 175.01 2dlx h GLU 137 N 1.18 -0.32 0.37 4.80 4.57 -0.73 -3.38 114.58 121.07 2dlx h GLU 137 Ca 0.27 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 2dlx h GLU 137 Cb 0.20 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2dlx h GLU 137 CO -0.02 -0.09 -0.18 0.45 -1.18 0.00 0.00 179.01 177.98 2dlx h HIS 138 N -1.04 -0.46 0.00 0.92 3.86 -0.91 -3.50 115.15 114.02 2dlx h HIS 138 Ca -0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2dlx h HIS 138 Cb 0.37 0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.00 2dlx h HIS 138 CO 0.03 -0.17 0.00 0.41 0.86 0.00 0.00 177.93 179.06 2dlx n GLY 139 N 0.18 -1.75 3.84 2.45 0.00 0.38 -4.97 105.19 105.32 2dlx n GLY 139 Ca -0.08 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 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 0.00 3.99 0.23 1.61 2.00 -1.26 -4.88 119.66 121.34 2dlx s GLN 140 Ca 0.00 0.49 -0.05 0.00 -2.00 0.00 0.00 55.36 53.80 2dlx s GLN 140 Cb 0.00 -3.09 0.41 0.00 0.80 0.00 0.00 33.01 31.13 2dlx s GLN 140 CO 0.00 0.58 1.23 1.28 -0.50 0.00 0.00 175.29 177.88 2dlx n LEU 141 N 1.30 -0.24 -4.96 3.68 4.32 -1.25 -4.36 117.00 115.49 2dlx n LEU 141 Ca -0.09 1.35 -0.22 0.00 -0.02 0.00 0.00 56.01 57.03 2dlx n LEU 141 Cb 0.52 -0.43 0.02 0.00 -1.62 0.00 0.00 43.42 41.91 2dlx n LEU 141 CO 0.41 -1.31 0.31 -0.62 -1.22 0.00 0.00 177.39 174.96 2dlx s ASP 142 N -5.16 5.62 -0.35 -1.43 -1.08 -1.26 -5.05 116.67 107.95 2dlx s ASP 142 Ca -0.11 0.16 0.14 0.00 -0.52 0.00 0.00 52.55 52.22 2dlx s ASP 142 Cb 0.22 -1.27 0.45 0.00 -1.46 0.00 0.00 42.92 40.86 2dlx s ASP 142 CO 0.61 -0.87 1.00 0.61 0.52 0.00 0.00 175.17 177.04 2dlx n GLY 143 N -2.17 2.82 3.25 2.66 0.00 -1.26 -5.05 105.19 105.43 2dlx n GLY 143 Ca 0.04 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 2dlx n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dlx s LEU 144 N -3.25 -0.10 0.10 0.99 1.43 -1.26 -5.14 118.68 111.45 2dlx s LEU 144 Ca 0.33 0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 53.99 2dlx s LEU 144 Cb 0.44 1.28 -0.06 0.00 0.03 0.00 0.00 46.19 47.89 2dlx s LEU 144 CO -0.03 -0.19 1.06 -0.44 0.23 0.00 0.00 176.35 176.98 2dlx s SER 145 N 1.50 7.31 -0.27 2.29 0.01 -1.26 -5.02 113.70 118.25 2dlx s SER 145 Ca -0.09 1.91 -0.00 0.00 1.31 0.00 0.00 55.95 59.08 2dlx s SER 145 Cb -0.09 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.71 2dlx s SER 145 CO -0.12 -0.24 0.43 -0.44 0.41 0.00 0.00 173.24 173.28 2dlx s SER 146 N 0.39 -0.08 0.32 2.44 0.01 -1.26 -5.08 113.70 110.44 2dlx s SER 146 Ca 0.51 0.14 -0.18 0.00 1.31 0.00 0.00 55.95 57.73 2dlx s SER 146 Cb -0.26 1.33 0.03 0.00 0.21 0.00 0.00 66.02 67.33 2dlx s SER 146 CO 0.31 -0.31 0.73 -0.55 0.41 0.00 0.00 173.24 173.83 2dlx s SER 147 N 2.61 -0.11 0.32 2.44 0.15 -1.26 -5.03 113.70 112.82 2dlx s SER 147 Ca 0.13 -0.86 0.08 0.00 0.70 0.00 0.00 55.95 55.99 2dlx s SER 147 Cb -0.14 0.77 0.93 0.00 -1.71 0.00 0.00 66.02 65.87 2dlx s SER 147 CO -0.22 -1.47 1.58 -1.28 1.20 0.00 0.00 173.24 173.06 2dlx h SER 148 N 2.02 -0.18 -0.11 5.45 0.87 -2.04 -3.38 113.55 116.18 2dlx h SER 148 Ca -0.25 0.26 0.09 0.00 -1.23 0.00 0.00 61.79 60.66 2dlx h SER 148 Cb 1.25 0.40 -0.16 0.00 -0.44 0.00 0.00 62.40 63.44 2dlx h SER 148 CO 0.31 -0.36 -0.08 -0.83 -0.53 0.00 0.00 176.83 175.35 2dlx s GLY 149 N -4.34 -1.81 0.00 5.77 0.00 -1.26 -5.00 107.32 100.68 2dlx s GLY 149 Ca -0.12 1.03 0.11 0.00 0.00 0.00 0.00 44.72 45.74 2dlx s GLY 149 CO 0.78 4.39 1.09 -1.55 0.00 0.00 0.00 173.10 177.81 2dlx n PRO 150 N 3.03 0.49 -1.52 2.90 -0.04 -1.26 -4.79 135.00 133.80 2dlx n PRO 150 Ca 0.08 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 2dlx n PRO 150 Cb 0.65 -1.35 0.10 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.86 4.18 0.92 3.54 0.01 -1.26 -5.03 113.70 114.22 2dlx s SER 151 Ca 0.16 1.25 -0.11 0.00 1.31 0.00 0.00 55.95 58.56 2dlx s SER 151 Cb 0.08 -1.94 0.15 0.00 0.21 0.00 0.00 66.02 64.51 2dlx s SER 151 CO 0.13 -2.16 1.10 -0.94 0.41 0.00 0.00 173.24 171.78 2dlx s SER 152 N -3.89 3.08 0.00 2.44 1.04 -1.26 -5.22 113.70 109.89 2dlx s SER 152 Ca 0.62 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.80 2dlx s SER 152 Cb -0.15 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2dlx s SER 152 CO 0.54 -2.93 0.00 0.61 0.98 0.00 0.00 173.24 172.45