#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 -0.12 0.14 1.61 1.04 -1.26 -5.18 113.70 109.93 2dlx s SER 2 Ca 0.00 -0.42 -0.25 0.00 0.48 0.00 0.00 55.95 55.76 2dlx s SER 2 Cb 0.00 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.62 2dlx s SER 2 CO 0.00 -0.81 1.01 -0.94 0.98 0.00 0.00 173.24 173.48 2dlx s SER 3 N -2.81 -0.12 -0.03 7.02 1.04 -1.26 -5.19 113.70 112.35 2dlx s SER 3 Ca 0.03 -0.45 -0.31 0.00 0.48 0.00 0.00 55.95 55.71 2dlx s SER 3 Cb 0.03 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.73 2dlx s SER 3 CO -0.12 -0.87 1.24 -0.83 0.98 0.00 0.00 173.24 173.65 2dlx s GLY 4 N -3.06 -0.38 0.16 7.32 0.00 -1.26 -5.19 107.32 104.91 2dlx s GLY 4 Ca 0.15 0.78 -0.25 0.00 0.00 0.00 0.00 44.72 45.40 2dlx s GLY 4 CO 0.02 0.17 0.97 -1.35 0.00 0.00 0.00 173.10 172.91 2dlx s SER 5 N -2.86 -0.15 -0.09 1.64 1.04 -1.26 -5.19 113.70 106.83 2dlx s SER 5 Ca 0.13 -0.45 -0.30 0.00 0.48 0.00 0.00 55.95 55.82 2dlx s SER 5 Cb 0.03 0.50 0.11 0.00 0.10 0.00 0.00 66.02 66.77 2dlx s SER 5 CO -0.04 -0.93 0.94 -0.44 0.98 0.00 0.00 173.24 173.76 2dlx s SER 6 N -2.99 -0.38 0.00 7.02 0.01 -1.26 -5.13 113.70 110.97 2dlx s SER 6 Ca 0.13 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2dlx s SER 6 Cb -0.02 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2dlx s SER 6 CO 0.03 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2dlx n GLY 7 N 0.30 0.11 3.03 3.44 0.00 -1.26 -5.17 105.19 105.64 2dlx n GLY 7 Ca -0.10 0.29 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 2dlx n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dlx s ILE 8 N 0.00 0.85 -0.10 -0.61 -4.36 -1.26 -5.14 121.20 110.58 2dlx s ILE 8 Ca 0.00 -0.42 -0.25 0.00 -0.26 0.00 0.00 60.65 59.72 2dlx s ILE 8 Cb 0.00 -0.74 0.06 0.00 1.25 0.00 0.00 42.46 43.03 2dlx s ILE 8 CO 0.00 0.25 0.58 -1.81 0.24 0.00 0.00 174.94 174.21 2dlx s ASP 9 N 0.02 -0.56 0.08 4.36 1.01 -1.26 -5.18 116.67 115.14 2dlx s ASP 9 Ca -0.00 0.74 -0.22 0.00 0.71 0.00 0.00 52.55 53.77 2dlx s ASP 9 Cb -0.07 0.70 0.06 0.00 1.01 0.00 0.00 42.92 44.62 2dlx s ASP 9 CO 0.00 -0.46 0.54 -0.54 0.21 0.00 0.00 175.17 174.92 2dlx s LYS 10 N -0.77 1.10 -0.10 8.23 1.02 -1.26 -5.16 119.74 122.81 2dlx s LYS 10 Ca -0.08 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 55.61 2dlx s LYS 10 Cb -0.02 0.51 0.02 0.00 -0.52 0.00 0.00 37.83 37.81 2dlx s LYS 10 CO 0.06 -0.42 -0.12 0.15 -0.92 0.00 0.00 175.35 174.10 2dlx s LYS 11 N -2.84 1.86 -0.18 1.68 3.01 -1.26 -5.12 119.74 116.89 2dlx s LYS 11 Ca -0.03 -0.43 -0.07 0.00 -1.01 0.00 0.00 55.97 54.43 2dlx s LYS 11 Cb -0.00 -1.65 0.08 0.00 -1.01 0.00 0.00 37.83 35.24 2dlx s LYS 11 CO -0.05 -0.09 0.39 -0.51 0.51 0.00 0.00 175.35 175.60 2dlx s LEU 12 N 1.09 -0.41 -0.14 3.17 1.43 -1.26 -5.14 118.68 117.42 2dlx s LEU 12 Ca -0.06 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 2dlx s LEU 12 Cb -0.14 1.25 0.05 0.00 0.03 0.00 0.00 46.19 47.38 2dlx s LEU 12 CO -0.02 -0.22 0.03 -0.89 0.23 0.00 0.00 176.35 175.48 2dlx s THR 13 N 2.20 0.39 -0.28 5.49 2.01 -1.26 -5.10 115.64 119.08 2dlx s THR 13 Ca -0.04 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 2dlx s THR 13 Cb -0.11 -0.77 0.09 0.00 0.01 0.00 0.00 72.50 71.72 2dlx s THR 13 CO -0.12 -0.02 0.06 0.42 -0.69 0.00 0.00 174.62 174.27 2dlx s THR 14 N 1.94 1.00 0.20 -0.82 -4.23 -1.26 -5.12 115.64 107.34 2dlx s THR 14 Ca 0.02 -1.26 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 2dlx s THR 14 Cb -0.15 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 2dlx s THR 14 CO -0.07 -0.49 -0.15 -0.76 -0.54 0.00 0.00 174.62 172.61 2dlx s LEU 15 N 1.59 2.53 0.16 4.79 1.02 -1.26 -5.16 118.68 122.35 2dlx s LEU 15 Ca 0.05 -0.99 0.09 0.00 0.02 0.00 0.00 54.13 53.31 2dlx s LEU 15 Cb -0.18 -0.70 -0.04 0.00 0.02 0.00 0.00 46.19 45.29 2dlx s LEU 15 CO -0.18 -0.14 -0.15 0.00 0.02 0.00 0.00 176.35 175.90 2dlx s ALA 16 N -2.78 2.78 -0.20 4.21 0.00 -1.26 -5.07 121.76 119.45 2dlx s ALA 16 Ca 0.21 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 2dlx s ALA 16 Cb -0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 2dlx s ALA 16 CO 0.07 0.51 -0.20 -0.40 0.00 0.00 0.00 175.76 175.74 2dlx n ASP 17 N 0.37 1.89 -0.10 0.00 5.75 -1.26 -4.43 116.55 118.78 2dlx n ASP 17 Ca -0.13 0.44 -0.23 0.00 -0.01 0.00 0.00 54.79 54.86 2dlx n ASP 17 Cb 0.54 -0.84 -0.12 0.00 -1.03 0.00 0.00 41.12 39.68 2dlx n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dlx n LEU 18 N -4.46 2.38 -0.30 -2.12 -0.00 -1.26 -4.39 117.00 106.86 2dlx n LEU 18 Ca -0.24 0.19 0.13 0.00 -0.00 0.00 0.00 56.01 56.09 2dlx n LEU 18 Cb 0.55 -0.94 0.29 0.00 -0.00 0.00 0.00 43.42 43.33 2dlx n LEU 18 CO 0.14 0.68 0.98 -0.26 -0.00 0.00 0.00 177.39 178.92 2dlx h PHE 19 N -0.49 0.45 -4.11 1.47 -1.00 -2.00 -3.41 116.94 107.85 2dlx h PHE 19 Ca -0.54 0.05 -0.54 0.00 2.81 0.00 0.00 57.97 59.75 2dlx h PHE 19 Cb 1.72 -0.06 0.19 0.00 3.61 0.00 0.00 35.95 41.41 2dlx h PHE 19 CO 0.02 -0.15 0.23 0.54 -1.61 0.00 0.00 178.31 177.34 2dlx n ARG 20 N -5.16 0.09 -1.16 1.51 5.12 -1.26 -4.99 116.66 110.80 2dlx n ARG 20 Ca 0.21 0.11 -0.28 0.00 -1.93 0.00 0.00 57.85 55.95 2dlx n ARG 20 Cb 0.67 -2.37 0.18 0.00 -1.16 0.00 0.00 32.46 29.78 2dlx n ARG 20 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2dlx s PRO 21 N -4.07 0.30 -1.09 5.56 0.04 -1.26 -4.88 135.00 129.60 2dlx s PRO 21 Ca 0.71 0.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.00 2dlx s PRO 21 Cb -0.28 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2dlx s PRO 21 CO 0.53 -2.81 1.94 -1.25 0.04 0.00 0.00 177.00 175.45 2dlx s PRO 22 N -4.97 2.52 0.51 0.56 0.04 -1.26 -4.76 135.00 127.64 2dlx s PRO 22 Ca 0.66 -0.88 0.18 0.00 0.04 0.00 0.00 61.00 60.99 2dlx s PRO 22 Cb -0.19 -5.19 1.27 0.00 0.04 0.00 0.00 34.50 30.43 2dlx s PRO 22 CO 0.58 -3.77 2.09 -0.84 0.04 0.00 0.00 177.00 175.09 2dlx h ILE 23 N 6.54 0.93 -0.78 0.56 -2.65 -1.91 -2.96 117.51 117.24 2dlx h ILE 23 Ca 0.18 -0.02 0.12 0.00 1.03 0.00 0.00 64.86 66.16 2dlx h ILE 23 Cb 0.96 0.86 -0.12 0.00 -2.05 0.00 0.00 36.82 36.47 2dlx h ILE 23 CO 1.22 0.01 -0.31 -0.67 0.03 0.00 0.00 178.15 178.43 2dlx n ASP 24 N -4.49 -0.52 0.41 2.16 2.03 -1.26 -0.50 116.55 114.39 2dlx n ASP 24 Ca 0.02 1.35 -0.19 0.00 0.52 0.00 0.00 54.79 56.49 2dlx n ASP 24 Cb 0.25 -0.30 -0.09 0.00 -0.72 0.00 0.00 41.12 40.25 2dlx n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2dlx h LEU 25 N 0.00 -1.20 -9.58 -2.67 -0.00 -1.91 -3.43 115.31 96.54 2dlx h LEU 25 Ca 0.26 0.07 -0.59 0.00 -0.00 0.00 0.00 57.88 57.62 2dlx h LEU 25 Cb 0.46 0.35 0.10 0.00 -0.00 0.00 0.00 40.66 41.56 2dlx h LEU 25 CO -0.77 -0.72 0.42 0.23 -0.00 0.00 0.00 178.44 177.60 2dlx n MET 26 N -5.43 1.79 -4.26 1.13 2.81 0.35 -4.43 117.12 109.08 2dlx n MET 26 Ca -0.14 0.63 -0.35 0.00 -1.81 0.00 0.00 57.70 56.03 2dlx n MET 26 Cb 0.48 -2.18 -0.09 0.00 -0.71 0.00 0.00 33.22 30.73 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 -0.64 3.25 0.40 2.03 5.04 -1.18 -4.92 115.29 119.27 2dlx s HIS 27 Ca 0.62 0.24 0.08 0.00 -1.54 0.00 0.00 55.06 54.46 2dlx s HIS 27 Cb -0.66 -1.84 0.00 0.00 0.04 0.00 0.00 32.58 30.13 2dlx s HIS 27 CO 0.56 0.49 0.54 0.15 -2.34 0.00 0.00 174.74 174.15 2dlx s LYS 28 N -0.82 2.89 0.00 2.88 1.02 -1.26 -4.90 119.74 119.55 2dlx s LYS 28 Ca 0.13 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.92 2dlx s LYS 28 Cb -0.12 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 2dlx s LYS 28 CO 0.03 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 2dlx n GLY 29 N -1.79 1.35 3.28 -3.33 0.00 -1.26 -4.87 105.19 98.57 2dlx n GLY 29 Ca 0.06 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.00 -0.14 0.18 1.61 0.01 -1.26 -5.01 113.70 105.09 2dlx s SER 30 Ca 0.00 -0.35 -0.16 0.00 1.31 0.00 0.00 55.95 56.75 2dlx s SER 30 Cb 0.00 0.42 0.14 0.00 0.21 0.00 0.00 66.02 66.79 2dlx s SER 30 CO 0.00 -0.78 1.65 2.19 0.41 0.00 0.00 173.24 176.71 2dlx h PHE 31 N 2.62 -0.31 -0.74 2.43 -0.00 -1.97 -0.69 116.94 118.28 2dlx h PHE 31 Ca -0.33 0.04 -0.06 0.00 -0.00 0.00 0.00 57.97 57.62 2dlx h PHE 31 Cb 1.23 0.21 -0.03 0.00 -0.00 0.00 0.00 35.95 37.36 2dlx h PHE 31 CO 0.37 -0.23 0.22 1.05 -0.00 0.00 0.00 178.31 179.73 2dlx h GLU 32 N -0.03 1.16 -0.74 6.09 4.11 -2.01 -2.95 114.58 120.21 2dlx h GLU 32 Ca 0.23 -0.26 0.17 0.00 0.07 0.00 0.00 59.36 59.57 2dlx h GLU 32 Cb 0.37 -0.16 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 2dlx h GLU 32 CO -0.50 0.99 0.08 1.15 0.07 0.00 0.00 179.01 180.79 2dlx h THR 33 N 1.11 0.41 -0.96 -1.06 2.02 -1.53 -0.29 112.91 112.61 2dlx h THR 33 Ca 0.24 -0.06 0.27 0.00 0.77 0.00 0.00 66.41 67.63 2dlx h THR 33 Cb 0.32 0.24 -0.18 0.00 -1.74 0.00 0.00 68.15 66.79 2dlx h THR 33 CO -0.01 0.03 0.03 0.00 0.37 0.00 0.00 175.52 175.94 2dlx n ALA 34 N -2.82 0.50 0.07 6.16 0.00 -1.01 0.32 120.51 123.73 2dlx n ALA 34 Ca 0.14 1.03 -0.11 0.00 0.00 0.00 0.00 53.44 54.49 2dlx n ALA 34 Cb 0.47 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.26 -0.37 0.00 1.57 -1.21 -2.84 116.57 113.45 2dlx h LYS 35 Ca 0.59 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.43 2dlx h LYS 35 Cb 1.22 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.51 2dlx h LYS 35 CO -0.90 -0.17 -0.53 0.93 -0.57 0.00 0.00 179.45 178.20 2dlx h GLU 36 N -0.27 -0.38 -0.85 3.15 4.39 -0.18 -0.94 114.58 119.51 2dlx h GLU 36 Ca 0.04 0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.93 2dlx h GLU 36 Cb 0.32 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 28.90 2dlx h GLU 36 CO -0.13 -0.25 -0.24 0.00 -1.16 0.00 0.00 179.01 177.23 2dlx h GLY 38 N -0.02 1.34 0.48 0.00 0.00 -0.93 0.72 103.07 104.66 2dlx h GLY 38 Ca 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 2dlx h GLY 38 CO -0.88 -0.44 -0.16 1.46 0.00 0.00 0.00 176.54 176.52 2dlx h GLN 39 N 0.05 -0.44 -0.11 4.80 4.20 -0.09 0.98 115.11 124.49 2dlx h GLN 39 Ca 0.85 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.60 2dlx h GLN 39 Cb 2.68 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 30.55 2dlx h GLN 39 CO -0.44 -0.14 -0.07 0.52 -0.67 0.00 0.00 178.83 178.03 2dlx h MET 40 N -0.99 -0.01 0.00 1.46 2.86 -0.80 0.31 114.93 117.76 2dlx h MET 40 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2dlx h MET 40 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2dlx h MET 40 CO 0.08 -0.00 0.00 1.96 1.06 0.00 0.00 176.91 180.00 2dlx h GLN 41 N -0.01 0.00 -4.16 1.72 4.20 -1.63 -3.47 115.11 111.77 2dlx h GLN 41 Ca 0.02 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.52 2dlx h GLN 41 Cb 0.05 0.00 0.10 0.00 0.30 0.00 0.00 27.48 27.93 2dlx h GLN 41 CO -0.11 0.00 -0.46 -1.71 -0.67 0.00 0.00 178.83 175.88 2dlx n ASN 42 N -2.33 -2.55 -4.20 1.46 2.85 0.11 -5.04 115.26 105.55 2dlx n ASN 42 Ca 0.03 -0.37 -0.29 0.00 -0.11 0.00 0.00 54.58 53.85 2dlx n ASN 42 Cb 0.30 -3.29 -0.16 0.00 1.24 0.00 0.00 39.78 37.86 2dlx n ASN 42 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2dlx s LYS 43 N -5.02 2.11 0.98 1.20 -2.85 0.30 -4.02 119.74 112.45 2dlx s LYS 43 Ca 0.07 -0.75 -0.14 0.00 -1.00 0.00 0.00 55.97 54.15 2dlx s LYS 43 Cb -0.03 -1.83 0.05 0.00 -2.06 0.00 0.00 37.83 33.96 2dlx s LYS 43 CO 0.44 0.32 0.35 0.91 0.10 0.00 0.00 175.35 177.48 2dlx n TRP 44 N 3.00 -1.41 -3.50 1.78 7.02 -1.21 -4.34 117.44 118.78 2dlx n TRP 44 Ca -0.18 0.21 -0.40 0.00 -1.02 0.00 0.00 57.50 56.12 2dlx n TRP 44 Cb 0.52 -1.74 -0.10 0.00 -2.42 0.00 0.00 31.31 27.57 2dlx n TRP 44 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2dlx s LEU 45 N -1.29 4.46 -0.46 -0.99 2.96 -0.52 -1.03 118.68 121.81 2dlx s LEU 45 Ca 0.57 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 54.04 2dlx s LEU 45 Cb -0.19 -2.19 0.10 0.00 0.50 0.00 0.00 46.19 44.40 2dlx s LEU 45 CO 0.67 -0.25 0.33 -0.32 -1.32 0.00 0.00 176.35 175.46 2dlx s MET 46 N 1.81 2.63 0.10 1.98 -2.45 -1.08 -0.24 119.30 122.04 2dlx s MET 46 Ca 0.08 -1.59 -0.26 0.00 -1.25 0.00 0.00 55.69 52.66 2dlx s MET 46 Cb -0.17 -3.93 -0.06 0.00 1.25 0.00 0.00 34.83 31.92 2dlx s MET 46 CO 0.11 -1.09 0.82 0.42 1.05 0.00 0.00 175.02 176.32 2dlx s ILE 47 N 1.44 4.56 -0.16 10.11 -1.09 -1.12 -3.70 121.20 131.24 2dlx s ILE 47 Ca 0.04 1.77 -0.02 0.00 -2.23 0.00 0.00 60.65 60.21 2dlx s ILE 47 Cb -0.25 -4.18 0.05 0.00 -1.58 0.00 0.00 42.46 36.50 2dlx s ILE 47 CO 0.02 0.40 -0.00 0.20 -1.23 0.00 0.00 174.94 174.32 2dlx s ASN 48 N -0.36 2.57 -0.21 3.58 -0.87 -0.79 -3.89 114.94 114.97 2dlx s ASN 48 Ca 0.40 -0.59 -0.08 0.00 -1.57 0.00 0.00 52.86 51.01 2dlx s ASN 48 Cb -0.22 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.25 40.31 2dlx s ASN 48 CO 0.26 -0.24 0.09 -0.63 -2.57 0.00 0.00 177.10 174.00 2dlx s ILE 49 N 1.81 4.84 0.08 0.60 -1.09 -1.25 -3.23 121.20 122.96 2dlx s ILE 49 Ca 0.01 -0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.33 2dlx s ILE 49 Cb -0.15 -3.21 -0.06 0.00 -1.58 0.00 0.00 42.46 37.46 2dlx s ILE 49 CO -0.07 0.41 0.39 -1.10 -1.23 0.00 0.00 174.94 173.34 2dlx s GLN 50 N 0.74 3.74 -0.21 2.79 -1.52 -1.16 -4.53 119.66 119.51 2dlx s GLN 50 Ca 0.04 0.15 -0.02 0.00 -1.95 0.00 0.00 55.36 53.59 2dlx s GLN 50 Cb -0.13 -2.99 0.01 0.00 -0.22 0.00 0.00 33.01 29.68 2dlx s GLN 50 CO 0.02 0.56 -0.10 1.21 -0.25 0.00 0.00 175.29 176.72 2dlx s ASN 51 N -1.80 3.88 0.45 5.90 3.84 -1.26 -4.08 114.94 121.88 2dlx s ASN 51 Ca 0.33 -0.57 0.25 0.00 0.21 0.00 0.00 52.86 53.08 2dlx s ASN 51 Cb -0.14 -1.63 0.96 0.00 -0.55 0.00 0.00 41.25 39.89 2dlx s ASN 51 CO 0.18 -0.03 1.84 -0.37 -2.79 0.00 0.00 177.10 175.93 2dlx h VAL 52 N 5.87 0.49 0.00 -5.21 -1.51 -2.00 -3.36 116.25 110.52 2dlx h VAL 52 Ca -0.42 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.00 2dlx h VAL 52 Cb 1.14 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 2dlx h VAL 52 CO 0.61 0.19 -0.14 0.00 -1.23 0.00 0.00 177.57 177.01 2dlx n GLN 53 N -3.36 0.10 -1.55 5.19 6.02 -1.26 -4.83 117.38 117.69 2dlx n GLN 53 Ca 0.00 0.22 -0.39 0.00 -0.01 0.00 0.00 57.00 56.82 2dlx n GLN 53 Cb 0.42 -0.86 -0.04 0.00 1.02 0.00 0.00 30.24 30.78 2dlx n GLN 53 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2dlx n ASP 54 N -2.79 2.39 -0.14 1.08 2.03 -1.26 -4.81 116.55 113.06 2dlx n ASP 54 Ca -0.02 -0.24 -0.06 0.00 0.52 0.00 0.00 54.79 54.99 2dlx n ASP 54 Cb 0.07 -1.51 0.11 0.00 -0.72 0.00 0.00 41.12 39.07 2dlx n ASP 54 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2dlx h PHE 55 N 17.62 0.94 -1.40 -0.67 -0.00 -1.88 -2.77 116.94 128.79 2dlx h PHE 55 Ca -0.27 -0.15 0.40 0.00 -0.00 0.00 0.00 57.97 57.96 2dlx h PHE 55 Cb 1.27 -0.25 -0.06 0.00 -0.00 0.00 0.00 35.95 36.91 2dlx h PHE 55 CO 0.96 0.87 1.13 0.00 -0.00 0.00 0.00 178.31 181.27 2dlx h ALA 56 N 1.16 3.30 0.21 12.09 0.00 -1.94 0.24 119.26 134.31 2dlx h ALA 56 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dlx h ALA 56 Cb 0.52 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2dlx h ALA 56 CO 0.03 -1.84 -0.10 0.00 0.00 0.00 0.00 179.25 177.33 2dlx h GLN 58 N -0.91 0.61 -0.65 0.00 3.07 -0.79 -2.97 115.11 113.47 2dlx h GLN 58 Ca -0.03 -0.08 0.11 0.00 0.09 0.00 0.00 58.65 58.74 2dlx h GLN 58 Cb 0.50 -0.11 -0.12 0.00 0.08 0.00 0.00 27.48 27.82 2dlx h GLN 58 CO 0.05 0.51 -0.32 0.00 0.09 0.00 0.00 178.83 179.16 2dlx h LEU 60 N -0.13 -0.59 -1.34 0.00 4.07 -1.60 0.31 115.31 116.03 2dlx h LEU 60 Ca 0.26 0.17 0.28 0.00 0.08 0.00 0.00 57.88 58.67 2dlx h LEU 60 Cb 0.55 0.37 -0.04 0.00 1.08 0.00 0.00 40.66 42.62 2dlx h LEU 60 CO -0.72 -0.20 1.07 -1.13 -1.08 0.00 0.00 178.44 176.38 2dlx h ASN 61 N -0.03 0.00 -0.34 -0.43 -0.73 -1.10 0.46 115.58 113.42 2dlx h ASN 61 Ca 0.26 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.47 2dlx h ASN 61 Cb 0.43 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.95 2dlx h ASN 61 CO -0.57 0.00 -0.46 -0.09 -0.37 0.00 0.00 177.43 175.94 2dlx h ARG 62 N 0.00 -0.31 0.00 6.67 2.43 -0.36 -3.03 114.38 119.78 2dlx h ARG 62 Ca 0.47 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.62 2dlx h ARG 62 Cb 2.59 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 32.21 2dlx h ARG 62 CO -0.00 -0.21 -1.14 -3.47 -1.51 0.00 0.00 179.97 173.64 2dlx n ASP 63 N -4.87 4.49 0.10 -3.80 -0.08 -0.48 -4.40 116.55 107.50 2dlx n ASP 63 Ca -0.03 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.21 2dlx n ASP 63 Cb 0.28 0.58 -0.02 0.00 2.34 0.00 0.00 41.12 44.30 2dlx n ASP 63 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2dlx h VAL 64 N 0.00 0.00 -0.08 5.18 2.07 -0.28 -0.61 116.25 122.52 2dlx h VAL 64 Ca -0.05 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2dlx h VAL 64 Cb 1.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 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 -2.67 0.26 -0.05 1.57 5.03 -1.23 -3.35 117.44 117.00 2dlx n TRP 65 Ca -0.03 -0.09 -0.05 0.00 3.03 0.00 0.00 57.50 60.35 2dlx n TRP 65 Cb 0.10 -0.13 -0.06 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 0.03 2.96 -4.73 -0.99 2.88 -1.11 -4.96 113.62 107.71 2dlx n SER 66 Ca 0.04 -0.02 -0.42 0.00 -1.33 0.00 0.00 58.87 57.14 2dlx n SER 66 Cb 0.32 0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 64.24 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 -2.45 3.57 -0.19 -3.46 2.85 -0.25 -4.90 115.26 110.42 2dlx n ASN 67 Ca -0.15 1.15 -0.08 0.00 -0.11 0.00 0.00 54.58 55.38 2dlx n ASN 67 Cb 0.76 -1.55 0.02 0.00 1.24 0.00 0.00 39.78 40.24 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 4.51 0.83 0.08 1.20 4.11 -1.92 -2.89 114.58 120.50 2dlx h GLU 68 Ca -0.47 -0.18 0.02 0.00 0.07 0.00 0.00 59.36 58.80 2dlx h GLU 68 Cb 1.24 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 2dlx h GLU 68 CO 0.77 0.77 -0.32 0.00 0.07 0.00 0.00 179.01 180.30 2dlx h ALA 69 N 1.03 -0.52 -0.63 1.06 0.00 -1.97 0.19 119.26 118.41 2dlx h ALA 69 Ca 0.17 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.17 2dlx h ALA 69 Cb 0.29 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 2dlx h ALA 69 CO -0.00 -0.86 0.10 0.28 0.00 0.00 0.00 179.25 178.77 2dlx h VAL 70 N -0.52 0.57 0.25 0.00 2.07 -1.86 -0.79 116.25 115.97 2dlx h VAL 70 Ca 0.04 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2dlx h VAL 70 Cb 0.57 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2dlx h VAL 70 CO -0.22 0.04 -0.12 0.11 0.02 0.00 0.00 177.57 177.41 2dlx h LYS 71 N 0.22 -0.32 0.00 1.57 1.57 -1.21 0.26 116.57 118.67 2dlx h LYS 71 Ca 0.34 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2dlx h LYS 71 Cb 0.53 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2dlx h LYS 71 CO -0.46 -0.10 0.18 -0.91 -0.57 0.00 0.00 179.45 177.60 2dlx h ASN 72 N -0.50 0.00 0.00 0.86 2.35 0.04 0.12 115.58 118.45 2dlx h ASN 72 Ca -0.03 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.35 2dlx h ASN 72 Cb 0.37 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 2dlx h ASN 72 CO 0.06 0.00 -1.99 -0.38 -1.65 0.00 0.00 177.43 173.46 2dlx n ILE 73 N -2.52 1.54 1.58 2.81 5.41 -0.36 -3.52 119.36 124.29 2dlx n ILE 73 Ca -0.02 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.48 2dlx n ILE 73 Cb 0.22 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.23 2dlx n ILE 73 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2dlx n ILE 74 N -4.26 0.00 -0.01 1.39 5.41 0.87 0.06 119.36 122.82 2dlx n ILE 74 Ca -0.44 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.30 2dlx n ILE 74 Cb 0.81 -0.12 -0.02 0.00 -0.71 0.00 0.00 39.64 39.61 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 -0.43 3.36 -0.06 0.38 1.85 -0.04 -2.45 116.66 119.27 2dlx n ARG 75 Ca 0.00 -0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 2dlx n ARG 75 Cb 0.02 -1.05 -0.06 0.00 -1.05 0.00 0.00 32.46 30.32 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 -2.03 0.74 0.07 2.89 2.13 -1.13 -4.60 120.64 118.71 2dlx n GLU 76 Ca -0.03 0.05 0.12 0.00 0.66 0.00 0.00 57.16 57.96 2dlx n GLU 76 Cb 0.52 -1.24 0.10 0.00 0.27 0.00 0.00 31.44 31.09 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 0.00 0.00 -3.61 4.31 3.86 -0.59 -3.44 115.15 115.67 2dlx h HIS 77 Ca -0.27 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.87 2dlx h HIS 77 Cb 1.45 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.79 2dlx h HIS 77 CO 0.01 0.00 -0.22 -0.06 0.86 0.00 0.00 177.93 178.52 2dlx s PHE 78 N -3.23 0.00 -0.29 2.45 0.40 -0.93 -3.33 117.98 113.05 2dlx s PHE 78 Ca 0.04 -0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 55.76 2dlx s PHE 78 Cb 0.12 0.10 -0.00 0.00 0.51 0.00 0.00 43.02 43.75 2dlx s PHE 78 CO 0.75 -0.64 0.77 0.42 0.70 0.00 0.00 175.22 177.22 2dlx s ILE 79 N -3.84 4.83 -0.39 0.64 -1.09 -0.20 -2.80 121.20 118.35 2dlx s ILE 79 Ca 0.05 1.24 -0.26 0.00 -2.23 0.00 0.00 60.65 59.45 2dlx s ILE 79 Cb 0.03 -4.11 0.02 0.00 -1.58 0.00 0.00 42.46 36.82 2dlx s ILE 79 CO -0.10 -0.17 0.94 0.12 -1.23 0.00 0.00 174.94 174.49 2dlx s PHE 80 N 2.86 3.04 -0.13 3.97 5.36 -1.02 -2.63 117.98 129.43 2dlx s PHE 80 Ca 0.32 0.73 -0.04 0.00 -0.96 0.00 0.00 56.93 56.98 2dlx s PHE 80 Cb -0.15 -3.74 0.05 0.00 -0.34 0.00 0.00 43.02 38.84 2dlx s PHE 80 CO 0.11 -0.89 0.07 -0.46 -1.46 0.00 0.00 175.22 172.59 2dlx s TRP 81 N 3.58 0.30 -0.06 10.12 -0.00 -1.24 -3.13 118.94 128.51 2dlx s TRP 81 Ca 0.39 -0.21 0.05 0.00 -0.00 0.00 0.00 56.10 56.32 2dlx s TRP 81 Cb -0.11 -0.69 -0.01 0.00 -0.00 0.00 0.00 33.47 32.66 2dlx s TRP 81 CO 0.20 -0.42 -0.22 -1.14 -0.00 0.00 0.00 176.95 175.38 2dlx s GLN 82 N 2.10 2.31 0.05 5.86 0.74 -1.26 -1.89 119.66 127.57 2dlx s GLN 82 Ca 0.03 -0.78 -0.16 0.00 0.05 0.00 0.00 55.36 54.50 2dlx s GLN 82 Cb -0.15 -1.94 0.03 0.00 1.10 0.00 0.00 33.01 32.05 2dlx s GLN 82 CO -0.07 0.29 0.36 0.14 -0.55 0.00 0.00 175.29 175.46 2dlx s VAL 83 N 0.00 0.07 -0.27 1.34 -7.23 -1.20 -5.00 120.40 108.11 2dlx s VAL 83 Ca -0.06 -0.58 -0.20 0.00 -1.81 0.00 0.00 61.98 59.33 2dlx s VAL 83 Cb -0.14 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 2dlx s VAL 83 CO 0.04 -0.32 0.62 -0.31 -0.31 0.00 0.00 175.10 174.82 2dlx s TYR 84 N -2.61 3.26 0.30 2.82 1.51 -1.26 -2.99 117.35 118.38 2dlx s TYR 84 Ca -0.04 0.73 0.04 0.00 -1.01 0.00 0.00 57.07 56.79 2dlx s TYR 84 Cb -0.01 -2.88 0.80 0.00 -0.11 0.00 0.00 41.96 39.76 2dlx s TYR 84 CO -0.03 -0.37 1.48 -2.39 -1.11 0.00 0.00 175.55 173.12 2dlx n HIS 85 N 5.76 0.67 -0.21 2.71 1.44 -1.26 0.28 115.22 124.61 2dlx n HIS 85 Ca -0.01 1.13 -0.04 0.00 -2.01 0.00 0.00 57.72 56.79 2dlx n HIS 85 Cb 0.49 -1.25 0.02 0.00 0.12 0.00 0.00 29.99 29.37 2dlx n HIS 85 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 2dlx h ASP 86 N 0.00 -1.08 -3.52 4.39 3.32 -1.92 -2.16 116.42 115.45 2dlx h ASP 86 Ca 0.60 0.22 -0.55 0.00 0.02 0.00 0.00 57.03 57.33 2dlx h ASP 86 Cb 1.31 0.55 0.19 0.00 0.22 0.00 0.00 39.33 41.60 2dlx h ASP 86 CO -0.86 -0.29 -0.21 -1.54 -1.72 0.00 0.00 179.24 174.62 2dlx n SER 87 N -5.44 -0.64 0.07 6.45 3.41 0.14 -4.68 113.62 112.92 2dlx n SER 87 Ca 0.05 0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 59.08 2dlx n SER 87 Cb 0.36 -1.30 -0.08 0.00 -0.26 0.00 0.00 64.21 62.93 2dlx n SER 87 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dlx h GLU 88 N -0.64 -0.60 -0.85 4.33 4.81 -1.84 -2.05 114.58 117.75 2dlx h GLU 88 Ca -0.46 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 58.94 2dlx h GLU 88 Cb 1.33 0.14 -0.14 0.00 0.63 0.00 0.00 28.75 30.71 2dlx h GLU 88 CO 0.43 -0.40 -0.42 0.93 -0.73 0.00 0.00 179.01 178.81 2dlx h GLU 89 N -0.63 -0.07 -0.11 1.92 5.08 -1.89 -0.38 114.58 118.50 2dlx h GLU 89 Ca 0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2dlx h GLU 89 Cb 0.69 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 2dlx h GLU 89 CO -0.32 -0.05 -0.30 0.78 -1.00 0.00 0.00 179.01 178.12 2dlx h GLY 90 N -0.08 -0.40 -0.39 -3.84 0.00 -1.59 -2.66 103.07 94.11 2dlx h GLY 90 Ca 0.26 0.36 0.07 0.00 0.00 0.00 0.00 47.33 48.03 2dlx h GLY 90 CO -0.87 -0.22 -0.46 1.46 0.00 0.00 0.00 176.54 176.45 2dlx h GLN 91 N -0.38 -0.29 -0.89 4.80 1.08 -0.40 -1.60 115.11 117.42 2dlx h GLN 91 Ca 0.09 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.41 2dlx h GLN 91 Cb 0.52 0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.90 2dlx h GLN 91 CO -0.33 -0.20 -0.52 0.00 -0.95 0.00 0.00 178.83 176.84 2dlx h ARG 92 N -0.31 -0.06 -0.34 1.46 3.08 -1.01 0.44 114.38 117.64 2dlx h ARG 92 Ca 0.14 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.27 2dlx h ARG 92 Cb 0.58 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.56 2dlx h ARG 92 CO -0.62 -0.04 -0.29 -0.92 -1.07 0.00 0.00 179.97 177.03 2dlx h TYR 93 N -0.06 -0.78 -0.91 3.04 5.03 -1.14 -0.99 116.97 121.17 2dlx h TYR 93 Ca 0.20 0.05 0.21 0.00 2.58 0.00 0.00 58.73 61.77 2dlx h TYR 93 Cb 0.49 0.39 -0.17 0.00 1.55 0.00 0.00 36.73 39.00 2dlx h TYR 93 CO -0.93 -0.36 -0.11 0.82 -1.32 0.00 0.00 178.16 176.27 2dlx h ILE 94 N -0.25 0.11 -0.59 1.81 2.04 -0.31 0.49 117.51 120.83 2dlx h ILE 94 Ca 0.16 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 2dlx h ILE 94 Cb 0.51 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2dlx h ILE 94 CO -0.48 0.00 0.08 1.56 0.00 0.00 0.00 178.15 179.32 2dlx h GLN 95 N 0.02 0.99 -0.47 2.37 4.20 -0.74 0.66 115.11 122.15 2dlx h GLN 95 Ca 0.48 -0.27 0.04 0.00 0.06 0.00 0.00 58.65 58.96 2dlx h GLN 95 Cb 0.84 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 2dlx h GLN 95 CO -0.88 0.94 -0.27 0.34 -0.67 0.00 0.00 178.83 178.28 2dlx n PHE 96 N -4.29 -0.20 -0.62 2.96 -0.00 0.17 -0.92 117.46 114.55 2dlx n PHE 96 Ca 0.03 0.58 0.07 0.00 -0.00 0.00 0.00 57.45 58.13 2dlx n PHE 96 Cb 0.29 -0.49 0.21 0.00 -0.00 0.00 0.00 39.48 39.49 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 -4.13 0.71 -3.77 -5.13 4.02 -1.20 -4.96 117.16 102.69 2dlx n TYR 97 Ca 0.01 -0.70 -0.26 0.00 -0.01 0.00 0.00 57.90 56.93 2dlx n TYR 97 Cb 0.12 -0.18 0.04 0.00 -0.02 0.00 0.00 39.34 39.30 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 -0.06 -6.14 -1.59 -0.72 4.01 0.15 -4.90 118.16 108.91 2dlx n LYS 98 Ca 0.17 0.68 -0.39 0.00 -0.51 0.00 0.00 58.31 58.25 2dlx n LYS 98 Cb 0.67 -5.57 0.04 0.00 -0.51 0.00 0.00 35.03 29.66 2dlx n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2dlx n LEU 99 N -4.67 2.84 -2.68 -0.35 0.00 0.18 -4.94 117.00 107.38 2dlx n LEU 99 Ca -0.04 0.88 -0.02 0.00 0.00 0.00 0.00 56.01 56.82 2dlx n LEU 99 Cb 0.57 -1.34 0.13 0.00 0.00 0.00 0.00 43.42 42.77 2dlx n LEU 99 CO 0.71 -1.91 0.61 0.61 0.00 0.00 0.00 177.39 177.41 2dlx n GLY 100 N 1.33 2.02 3.46 -3.96 0.00 -1.26 -4.87 105.19 101.89 2dlx n GLY 100 Ca 0.12 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.21 -0.57 -0.08 1.61 1.11 -1.26 -5.18 116.67 111.10 2dlx s ASP 101 Ca 0.10 0.44 -0.16 0.00 0.18 0.00 0.00 52.55 53.11 2dlx s ASP 101 Cb 0.44 0.53 0.04 0.00 1.07 0.00 0.00 42.92 45.00 2dlx s ASP 101 CO -0.13 -0.69 0.39 -0.36 1.18 0.00 0.00 175.17 175.57 2dlx s PHE 102 N -1.92 -0.35 0.63 4.23 0.40 -1.26 -3.98 117.98 115.73 2dlx s PHE 102 Ca -0.08 0.72 -0.16 0.00 -0.60 0.00 0.00 56.93 56.81 2dlx s PHE 102 Cb -0.01 0.16 -0.02 0.00 0.51 0.00 0.00 43.02 43.66 2dlx s PHE 102 CO 0.03 -0.34 1.11 -1.25 0.70 0.00 0.00 175.22 175.47 2dlx s PRO 103 N -0.65 2.96 -0.06 0.24 0.04 -1.26 -4.94 135.00 131.32 2dlx s PRO 103 Ca -0.08 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.43 2dlx s PRO 103 Cb -0.04 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2dlx s PRO 103 CO 0.03 -1.13 -0.12 -0.47 0.04 0.00 0.00 177.00 175.35 2dlx s TYR 104 N -2.19 1.42 -0.13 0.56 6.14 -1.26 -4.61 117.35 117.28 2dlx s TYR 104 Ca 0.68 -0.50 -0.06 0.00 0.64 0.00 0.00 57.07 57.84 2dlx s TYR 104 Cb -0.21 -1.03 0.06 0.00 0.42 0.00 0.00 41.96 41.19 2dlx s TYR 104 CO 0.38 -0.25 0.29 0.08 0.64 0.00 0.00 175.55 176.68 2dlx s VAL 105 N 0.57 -0.22 0.08 3.14 1.01 -0.63 -3.79 120.40 120.56 2dlx s VAL 105 Ca -0.13 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2dlx s VAL 105 Cb -0.15 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 2dlx s VAL 105 CO 0.03 0.08 0.17 -0.44 0.00 0.00 0.00 175.10 174.94 2dlx s SER 106 N 1.80 0.14 -0.18 3.32 0.01 -1.25 -0.24 113.70 117.29 2dlx s SER 106 Ca -0.05 -0.64 -0.06 0.00 1.31 0.00 0.00 55.95 56.50 2dlx s SER 106 Cb -0.11 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2dlx s SER 106 CO -0.09 -0.70 0.03 -0.63 0.41 0.00 0.00 173.24 172.26 2dlx s ILE 107 N -3.70 4.49 0.29 1.44 1.01 -1.18 -2.79 121.20 120.76 2dlx s ILE 107 Ca 0.04 -0.14 0.09 0.00 0.00 0.00 0.00 60.65 60.64 2dlx s ILE 107 Cb 0.04 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2dlx s ILE 107 CO -0.10 0.46 0.01 -0.22 0.00 0.00 0.00 174.94 175.09 2dlx s LEU 108 N 0.45 3.14 -0.22 2.97 2.96 0.66 -1.27 118.68 127.38 2dlx s LEU 108 Ca 0.01 -0.74 -0.05 0.00 -0.22 0.00 0.00 54.13 53.13 2dlx s LEU 108 Cb -0.13 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2dlx s LEU 108 CO 0.01 -0.08 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.33 2dlx s ASP 109 N -3.70 4.57 0.41 3.68 2.15 -1.14 -1.44 116.67 121.21 2dlx s ASP 109 Ca 0.33 -0.31 0.29 0.00 0.43 0.00 0.00 52.55 53.29 2dlx s ASP 109 Cb -0.05 -1.79 1.20 0.00 -0.30 0.00 0.00 42.92 41.98 2dlx s ASP 109 CO 0.20 0.01 1.86 1.55 -0.17 0.00 0.00 175.17 178.61 2dlx h PRO 110 N 7.93 0.00 0.00 4.34 0.13 -1.91 1.16 132.00 143.65 2dlx h PRO 110 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2dlx h PRO 110 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2dlx h PRO 110 CO 0.60 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 178.11 2dlx h ARG 111 N 0.00 0.00 0.01 0.86 3.08 -1.93 -3.42 114.38 112.97 2dlx h ARG 111 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 2dlx h ARG 111 Cb 0.43 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 2dlx h ARG 111 CO 0.00 0.82 -2.33 0.25 -1.07 0.00 0.00 179.97 177.64 2dlx n THR 112 N -4.60 1.54 -0.57 2.04 -2.24 -1.21 -5.04 114.28 104.20 2dlx n THR 112 Ca -0.13 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2dlx n THR 112 Cb 0.44 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 1.56 1.35 3.49 3.38 0.00 0.40 -5.02 105.19 110.36 2dlx n GLY 113 Ca -0.48 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.61 1.75 0.02 1.61 -2.07 -1.26 -4.82 119.66 113.28 2dlx s GLN 114 Ca 0.00 -1.58 -0.30 0.00 -1.82 0.00 0.00 55.36 51.66 2dlx s GLN 114 Cb 0.00 -1.89 -0.05 0.00 -1.09 0.00 0.00 33.01 29.97 2dlx s GLN 114 CO 0.00 0.37 1.28 0.21 -1.32 0.00 0.00 175.29 175.83 2dlx s LYS 115 N -3.15 4.36 -0.24 9.60 2.36 -1.26 -2.88 119.74 128.53 2dlx s LYS 115 Ca 0.26 1.84 -0.04 0.00 -2.55 0.00 0.00 55.97 55.48 2dlx s LYS 115 Cb -0.07 -3.44 -0.18 0.00 -1.05 0.00 0.00 37.83 33.09 2dlx s LYS 115 CO 0.14 -0.41 -0.13 1.28 1.55 0.00 0.00 175.35 177.79 2dlx n LEU 116 N 4.60 2.66 -4.09 5.43 4.77 -0.39 -5.03 117.00 124.94 2dlx n LEU 116 Ca 0.11 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 2dlx n LEU 116 Cb 0.45 -0.93 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 2dlx n LEU 116 CO 0.57 0.82 -0.14 0.68 -1.33 0.00 0.00 177.39 177.98 2dlx s VAL 117 N -2.52 0.05 -0.07 4.08 -7.23 -1.24 -5.00 120.40 108.47 2dlx s VAL 117 Ca -0.33 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 2dlx s VAL 117 Cb 0.10 -2.15 0.04 0.00 0.56 0.00 0.00 36.38 34.93 2dlx s VAL 117 CO 0.61 -0.22 0.14 -1.83 -0.31 0.00 0.00 175.10 173.49 2dlx s GLU 118 N -4.06 0.07 -0.04 4.82 4.04 -1.26 -3.08 118.70 119.19 2dlx s GLU 118 Ca 0.26 0.39 0.01 0.00 0.04 0.00 0.00 54.97 55.67 2dlx s GLU 118 Cb 0.05 -0.20 0.02 0.00 0.02 0.00 0.00 34.13 34.02 2dlx s GLU 118 CO 0.05 -0.19 -0.03 -1.58 -1.84 0.00 0.00 175.26 171.68 2dlx s TRP 119 N 1.34 0.62 -0.22 4.83 0.51 0.66 -5.01 118.94 121.67 2dlx s TRP 119 Ca -0.07 -0.15 -0.20 0.00 -2.12 0.00 0.00 56.10 53.56 2dlx s TRP 119 Cb -0.12 -0.60 -0.18 0.00 -0.81 0.00 0.00 33.47 31.76 2dlx s TRP 119 CO -0.06 -0.18 0.14 0.72 -0.51 0.00 0.00 176.95 177.06 2dlx n HIS 120 N 4.14 0.89 -4.89 -1.98 8.25 -1.26 -1.61 115.22 118.76 2dlx n HIS 120 Ca -0.24 0.39 -0.26 0.00 -0.26 0.00 0.00 57.72 57.34 2dlx n HIS 120 Cb 0.51 -1.08 -0.15 0.00 1.12 0.00 0.00 29.99 30.38 2dlx n HIS 120 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2dlx s GLN 121 N -2.38 1.57 0.22 -0.41 -2.07 -1.26 -4.32 119.66 111.02 2dlx s GLN 121 Ca -0.30 -0.79 -0.01 0.00 -1.82 0.00 0.00 55.36 52.44 2dlx s GLN 121 Cb 0.07 -1.57 -0.03 0.00 -1.09 0.00 0.00 33.01 30.39 2dlx s GLN 121 CO 0.57 0.42 0.20 -0.51 -1.32 0.00 0.00 175.29 174.65 2dlx s LEU 122 N -0.68 1.12 0.15 2.60 1.43 -1.26 -5.00 118.68 117.03 2dlx s LEU 122 Ca 0.08 -1.38 -0.06 0.00 -1.03 0.00 0.00 54.13 51.73 2dlx s LEU 122 Cb -0.08 0.58 -0.02 0.00 0.03 0.00 0.00 46.19 46.70 2dlx s LEU 122 CO -0.00 -0.91 0.20 -1.81 0.23 0.00 0.00 176.35 174.05 2dlx s ASP 123 N -3.17 0.14 0.24 2.29 1.11 -1.26 -4.90 116.67 111.12 2dlx s ASP 123 Ca 0.37 -0.97 -0.10 0.00 0.18 0.00 0.00 52.55 52.03 2dlx s ASP 123 Cb 0.05 0.38 0.37 0.00 1.07 0.00 0.00 42.92 44.79 2dlx s ASP 123 CO 0.14 -0.82 1.62 0.58 1.18 0.00 0.00 175.17 177.86 2dlx h VAL 124 N 2.68 0.29 0.00 -1.27 2.07 -1.91 0.49 116.25 118.59 2dlx h VAL 124 Ca -0.33 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2dlx h VAL 124 Cb 1.21 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2dlx h VAL 124 CO 0.53 0.01 -0.04 -1.28 0.02 0.00 0.00 177.57 176.80 2dlx h SER 125 N 0.04 0.00 -0.80 0.57 0.87 -1.98 -3.29 113.55 108.96 2dlx h SER 125 Ca 0.38 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 61.06 2dlx h SER 125 Cb 0.63 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.46 2dlx h SER 125 CO -0.72 0.48 -0.41 0.28 -0.53 0.00 0.00 176.83 175.93 2dlx h SER 126 N -0.91 -1.46 -0.55 6.23 0.02 -1.92 0.26 113.55 115.21 2dlx h SER 126 Ca 0.00 0.28 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 2dlx h SER 126 Cb 0.04 0.72 -0.10 0.00 0.14 0.00 0.00 62.40 63.20 2dlx h SER 126 CO 0.00 -0.30 -0.44 0.15 -1.14 0.00 0.00 176.83 175.10 2dlx h PHE 127 N -0.09 -1.30 0.55 3.45 3.04 -0.20 0.14 116.94 122.54 2dlx h PHE 127 Ca 0.26 0.08 -0.02 0.00 3.98 0.00 0.00 57.97 62.27 2dlx h PHE 127 Cb 0.56 0.64 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 2dlx h PHE 127 CO -0.80 -0.43 -0.38 -0.07 -2.02 0.00 0.00 178.31 174.62 2dlx h LEU 128 N -0.24 -0.97 -0.98 0.59 3.38 -1.11 0.30 115.31 116.28 2dlx h LEU 128 Ca 0.17 0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.47 2dlx h LEU 128 Cb 0.57 0.29 -0.18 0.00 0.09 0.00 0.00 40.66 41.43 2dlx h LEU 128 CO -0.67 -0.56 0.02 -0.67 0.09 0.00 0.00 178.44 176.64 2dlx n ASP 129 N -4.74 -0.12 0.13 -0.43 -0.08 -0.11 0.16 116.55 111.35 2dlx n ASP 129 Ca -0.11 1.66 -0.06 0.00 -1.51 0.00 0.00 54.79 54.78 2dlx n ASP 129 Cb 0.37 -0.60 -0.03 0.00 2.34 0.00 0.00 41.12 43.20 2dlx n ASP 129 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2dlx h GLN 130 N 0.00 -0.35 0.22 -0.67 4.20 -0.67 -2.89 115.11 114.96 2dlx h GLN 130 Ca 0.59 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.32 2dlx h GLN 130 Cb 1.21 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.05 2dlx h GLN 130 CO -0.92 -0.23 -0.34 0.28 -0.67 0.00 0.00 178.83 176.94 2dlx h VAL 131 N -0.67 0.00 -0.96 -0.54 2.07 0.55 0.20 116.25 116.91 2dlx h VAL 131 Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.65 2dlx h VAL 131 Cb 0.28 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.88 2dlx h VAL 131 CO 0.06 0.00 -0.32 0.41 0.02 0.00 0.00 177.57 177.74 2dlx n THR 132 N -4.42 -0.47 0.05 2.57 -1.04 0.41 -0.64 114.28 110.73 2dlx n THR 132 Ca -0.07 2.22 -0.13 0.00 -2.04 0.00 0.00 64.05 64.04 2dlx n THR 132 Cb 0.29 -2.99 -0.08 0.00 -1.82 0.00 0.00 70.33 65.73 2dlx n THR 132 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2dlx h GLY 133 N 0.00 -0.09 -0.76 3.41 0.00 -1.25 -3.05 103.07 101.32 2dlx h GLY 133 Ca 0.38 0.03 0.31 0.00 0.00 0.00 0.00 47.33 48.05 2dlx h GLY 133 CO -0.96 -0.03 0.31 -2.75 0.00 0.00 0.00 176.54 173.10 2dlx h PHE 134 N -0.33 0.46 -0.59 5.60 3.04 0.18 0.45 116.94 125.75 2dlx h PHE 134 Ca -0.01 0.05 0.12 0.00 3.98 0.00 0.00 57.97 62.11 2dlx h PHE 134 Cb 0.29 -0.04 -0.10 0.00 2.56 0.00 0.00 35.95 38.65 2dlx h PHE 134 CO 0.00 -0.34 -0.02 -0.07 -2.02 0.00 0.00 178.31 175.86 2dlx h LEU 135 N 0.11 -0.30 0.05 0.59 3.38 -1.21 0.13 115.31 118.07 2dlx h LEU 135 Ca 0.68 0.15 -0.28 0.00 0.09 0.00 0.00 57.88 58.52 2dlx h LEU 135 Cb 1.55 0.27 0.02 0.00 0.09 0.00 0.00 40.66 42.59 2dlx h LEU 135 CO -0.76 -0.12 -1.18 1.23 0.09 0.00 0.00 178.44 177.70 2dlx h GLY 136 N 0.10 0.56 0.78 0.83 0.00 -0.31 -0.13 103.07 104.89 2dlx h GLY 136 Ca 0.31 -1.17 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 2dlx h GLY 136 CO -0.52 1.03 -0.38 -2.09 0.00 0.00 0.00 176.54 174.58 2dlx h GLU 137 N 0.22 -0.86 0.00 4.80 4.81 -0.14 -3.37 114.58 120.04 2dlx h GLU 137 Ca -0.15 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2dlx h GLU 137 Cb 1.86 0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.43 2dlx h GLU 137 CO 0.21 -0.57 -0.14 0.45 -0.73 0.00 0.00 179.01 178.23 2dlx h HIS 138 N -0.89 0.00 0.00 0.92 3.86 -0.91 -3.51 115.15 114.62 2dlx h HIS 138 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2dlx h HIS 138 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 2dlx h HIS 138 CO -0.13 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.07 2dlx n GLY 139 N 1.77 3.19 3.45 2.45 0.00 -0.06 -5.05 105.19 110.94 2dlx n GLY 139 Ca -0.02 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.73 -0.53 -0.24 1.61 -0.06 -1.26 -4.78 117.38 111.39 2dlx n GLN 140 Ca 0.00 -0.11 0.03 0.00 -2.00 0.00 0.00 57.00 54.92 2dlx n GLN 140 Cb 0.00 -1.95 0.09 0.00 -4.06 0.00 0.00 30.24 24.31 2dlx n GLN 140 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2dlx n LEU 141 N -2.04 -0.26 -0.08 1.69 4.77 -1.26 -2.58 117.00 117.24 2dlx n LEU 141 Ca 0.07 1.13 -0.07 0.00 -0.03 0.00 0.00 56.01 57.11 2dlx n LEU 141 Cb 0.54 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2dlx n LEU 141 CO 0.51 -1.08 -0.55 -0.67 -1.33 0.00 0.00 177.39 174.27 2dlx n ASP 142 N -5.06 1.88 0.00 -1.43 2.03 -1.26 -5.12 116.55 107.59 2dlx n ASP 142 Ca 0.10 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2dlx n ASP 142 Cb 0.32 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 2dlx n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dlx n GLY 143 N 1.52 1.31 0.09 0.27 0.00 -1.07 -5.06 105.19 102.25 2dlx n GLY 143 Ca -0.11 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 2dlx n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dlx n LEU 144 N 0.00 1.84 -4.79 0.99 4.77 -1.26 -4.94 117.00 113.61 2dlx n LEU 144 Ca 0.00 0.53 -0.36 0.00 -0.03 0.00 0.00 56.01 56.15 2dlx n LEU 144 Cb 0.00 -0.89 -0.08 0.00 -2.33 0.00 0.00 43.42 40.13 2dlx n LEU 144 CO 0.00 -0.18 -0.22 -0.55 -1.33 0.00 0.00 177.39 175.10 2dlx s SER 145 N -6.17 5.93 0.22 -1.43 0.15 -1.26 -5.11 113.70 106.03 2dlx s SER 145 Ca -0.21 0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.80 2dlx s SER 145 Cb 0.04 -1.86 -0.05 0.00 -1.71 0.00 0.00 66.02 62.44 2dlx s SER 145 CO 0.36 0.38 -0.03 -0.94 1.20 0.00 0.00 173.24 174.21 2dlx s SER 146 N -0.85 1.97 0.34 5.45 1.04 -1.26 -5.03 113.70 115.37 2dlx s SER 146 Ca 0.13 -1.17 0.05 0.00 0.48 0.00 0.00 55.95 55.44 2dlx s SER 146 Cb -0.12 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 2dlx s SER 146 CO 0.03 -0.45 0.19 -0.55 0.98 0.00 0.00 173.24 173.44 2dlx s SER 147 N -3.30 1.89 0.09 7.02 0.15 -1.26 -5.07 113.70 113.22 2dlx s SER 147 Ca 0.26 -1.65 -0.30 0.00 0.70 0.00 0.00 55.95 54.96 2dlx s SER 147 Cb 0.05 0.48 -0.14 0.00 -1.71 0.00 0.00 66.02 64.69 2dlx s SER 147 CO 0.08 -0.96 1.64 -1.28 1.20 0.00 0.00 173.24 173.92 2dlx h SER 148 N 2.08 -0.75 0.00 5.45 0.87 -2.04 -3.47 113.55 115.69 2dlx h SER 148 Ca -0.31 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2dlx h SER 148 Cb 1.25 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2dlx h SER 148 CO 0.48 -0.43 0.00 0.61 -0.53 0.00 0.00 176.83 176.96 2dlx n GLY 149 N -1.41 0.90 3.72 5.77 0.00 -1.26 -5.13 105.19 107.79 2dlx n GLY 149 Ca -0.10 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2dlx n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlx s PRO 150 N 0.00 4.36 -0.37 1.61 0.04 -1.26 -4.96 135.00 134.42 2dlx s PRO 150 Ca 0.00 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 2dlx s PRO 150 Cb 0.00 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2dlx s PRO 150 CO 0.00 -0.34 1.35 0.45 0.04 0.00 0.00 177.00 178.50 2dlx s SER 151 N 0.77 6.49 0.24 6.66 0.15 -1.26 -4.90 113.70 121.85 2dlx s SER 151 Ca 0.61 0.97 -0.13 0.00 0.70 0.00 0.00 55.95 58.09 2dlx s SER 151 Cb -0.36 -2.54 0.32 0.00 -1.71 0.00 0.00 66.02 61.73 2dlx s SER 151 CO 0.33 -1.28 1.58 0.77 1.20 0.00 0.00 173.24 175.84 2dlx h SER 152 N 10.05 -1.01 0.00 5.45 4.64 -2.04 -3.56 113.55 127.07 2dlx h SER 152 Ca -0.27 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dlx h SER 152 Cb 1.10 0.60 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 2dlx h SER 152 CO 1.07 -0.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.34