#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbh s SER 2 N 0.00 4.10 0.45 1.61 1.04 -1.26 -5.03 113.70 114.61 2dbh s SER 2 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2dbh s SER 2 Cb 0.00 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.65 2dbh s SER 2 CO 0.00 0.21 0.00 -0.24 0.98 0.00 0.00 173.24 174.19 2dbh n SER 3 N 3.25 -8.73 0.00 7.02 2.88 -1.26 -5.00 113.62 111.78 2dbh n SER 3 Ca -0.18 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 2dbh n SER 3 Cb 0.53 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 2dbh n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbh n GLY 4 N -4.31 2.59 1.26 0.46 0.00 -1.26 -5.10 105.19 98.82 2dbh n GLY 4 Ca -0.03 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2dbh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbh n SER 5 N 0.00 0.00 -2.63 1.61 2.88 -1.26 -5.13 113.62 109.09 2dbh n SER 5 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2dbh n SER 5 Cb 0.00 0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.68 2dbh n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dbh n SER 6 N -2.13 -4.25 -0.02 -3.46 7.64 -1.26 -5.02 113.62 105.12 2dbh n SER 6 Ca 0.00 1.37 -0.03 0.00 1.01 0.00 0.00 58.87 61.22 2dbh n SER 6 Cb 0.00 -5.24 -0.03 0.00 -1.01 0.00 0.00 64.21 57.93 2dbh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbh n GLY 7 N 1.17 -0.12 2.69 0.23 0.00 -1.26 -5.01 105.19 102.88 2dbh n GLY 7 Ca -0.20 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 2dbh n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbh s SER 8 N -4.18 1.13 0.00 1.61 0.15 -1.26 -4.97 113.70 106.17 2dbh s SER 8 Ca -0.06 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2dbh s SER 8 Cb 0.02 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2dbh s SER 8 CO 0.14 -0.24 0.00 -1.54 1.20 0.00 0.00 173.24 172.80 2dbh n SER 9 N 5.22 0.00 -3.76 5.45 3.41 -1.26 -5.12 113.62 117.55 2dbh n SER 9 Ca -0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.42 2dbh n SER 9 Cb 0.50 0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 64.60 2dbh n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dbh s ALA 10 N -1.75 -0.06 -0.35 7.33 0.00 -1.26 -4.64 121.76 121.02 2dbh s ALA 10 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.35 2dbh s ALA 10 Cb 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2dbh s ALA 10 CO 0.00 -0.13 0.26 1.28 0.00 0.00 0.00 175.76 177.17 2dbh n LEU 11 N 4.19 -7.90 0.10 0.00 4.32 -1.24 -5.02 117.00 111.45 2dbh n LEU 11 Ca -0.27 1.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.75 2dbh n LEU 11 Cb 0.51 -3.34 0.00 0.00 -1.62 0.00 0.00 43.42 38.97 2dbh n LEU 11 CO 0.20 -2.81 -0.01 -1.54 -1.22 0.00 0.00 177.39 172.02 2dbh n SER 12 N 0.26 -0.09 0.00 -1.43 3.41 -1.26 -5.07 113.62 109.43 2dbh n SER 12 Ca 0.05 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2dbh n SER 12 Cb 0.20 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2dbh n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2dbh n ARG 13 N -3.18 0.00 0.02 4.33 0.63 -1.26 -5.03 116.66 112.17 2dbh n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2dbh n ARG 13 Cb 0.01 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.92 2dbh n ARG 13 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2dbh n ASN 14 N -1.52 0.03 -4.55 6.15 4.13 -1.26 -5.01 115.26 113.22 2dbh n ASN 14 Ca 0.00 0.08 -0.36 0.00 1.68 0.00 0.00 54.58 55.97 2dbh n ASN 14 Cb 0.00 0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 2dbh n ASN 14 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2dbh s GLY 15 N -4.95 -0.03 0.18 7.41 0.00 -1.26 -4.86 107.32 103.80 2dbh s GLY 15 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.18 2dbh s GLY 15 CO 0.00 3.67 0.32 -1.26 0.00 0.00 0.00 173.10 175.83 2dbh n SER 16 N 13.98 -0.92 -3.45 1.64 2.88 -1.26 -3.66 113.62 122.82 2dbh n SER 16 Ca 0.27 -1.80 -0.25 0.00 -1.33 0.00 0.00 58.87 55.76 2dbh n SER 16 Cb 0.52 1.58 -0.12 0.00 -0.75 0.00 0.00 64.21 65.45 2dbh n SER 16 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2dbh s PHE 17 N -5.16 0.26 0.26 0.66 0.08 -1.26 -4.85 117.98 107.96 2dbh s PHE 17 Ca 0.10 -1.08 0.00 0.00 0.12 0.00 0.00 56.93 56.07 2dbh s PHE 17 Cb -0.02 -0.75 0.00 0.00 -0.57 0.00 0.00 43.02 41.68 2dbh s PHE 17 CO 0.07 -0.87 0.00 -0.89 -0.10 0.00 0.00 175.22 173.43 2dbh n ILE 18 N 4.57 -3.84 -3.14 0.64 5.41 -1.26 -4.43 119.36 117.30 2dbh n ILE 18 Ca 0.05 1.58 0.00 0.00 1.00 0.00 0.00 62.75 65.39 2dbh n ILE 18 Cb 0.41 -2.39 0.00 0.00 -0.71 0.00 0.00 39.64 36.95 2dbh n ILE 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2dbh n THR 19 N -0.14 0.00 0.02 1.39 -1.04 -1.26 -4.95 114.28 108.30 2dbh n THR 19 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 2dbh n THR 19 Cb 0.00 -0.84 -0.14 0.00 -1.82 0.00 0.00 70.33 67.53 2dbh n THR 19 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2dbh h LYS 20 N 0.00 0.20 -0.08 -2.82 3.64 -2.00 -3.29 116.57 112.22 2dbh h LYS 20 Ca 0.00 -0.33 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 2dbh h LYS 20 Cb 0.00 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2dbh h LYS 20 CO 0.00 1.00 -0.30 1.05 -2.27 0.00 0.00 179.45 178.93 2dbh h GLU 21 N 0.05 0.15 -0.03 1.90 4.11 -2.00 -2.61 114.58 116.16 2dbh h GLU 21 Ca -0.33 -0.05 -0.15 0.00 0.07 0.00 0.00 59.36 58.90 2dbh h GLU 21 Cb 2.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 2dbh h GLU 21 CO 0.11 0.44 -0.66 -0.22 0.07 0.00 0.00 179.01 178.76 2dbh h LYS 22 N 0.14 0.14 -0.05 1.06 3.64 -1.98 -2.77 116.57 116.75 2dbh h LYS 22 Ca 0.02 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 2dbh h LYS 22 Cb 0.60 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2dbh h LYS 22 CO 0.04 0.75 -0.52 0.87 -2.27 0.00 0.00 179.45 178.32 2dbh h LYS 23 N 0.10 0.15 -0.00 1.90 1.57 -1.53 -2.75 116.57 116.00 2dbh h LYS 23 Ca -0.01 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 2dbh h LYS 23 Cb 1.17 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 2dbh h LYS 23 CO 0.10 0.63 -0.82 0.22 -0.57 0.00 0.00 179.45 179.01 2dbh h ASP 24 N 0.11 0.12 0.48 0.86 3.58 -1.40 -3.05 116.42 117.13 2dbh h ASP 24 Ca 0.00 -0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.23 2dbh h ASP 24 Cb 0.96 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 2dbh h ASP 24 CO 0.08 0.88 -0.58 0.74 -2.88 0.00 0.00 179.24 177.48 2dbh h THR 25 N 0.05 1.40 -0.27 2.25 2.02 -1.34 -1.33 112.91 115.69 2dbh h THR 25 Ca -0.02 -1.97 -0.17 0.00 0.77 0.00 0.00 66.41 65.02 2dbh h THR 25 Cb 1.43 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 2dbh h THR 25 CO 0.12 0.57 -0.48 0.58 0.37 0.00 0.00 175.52 176.68 2dbh h VAL 26 N 0.08 1.29 -0.00 3.16 2.07 -1.47 -3.10 116.25 118.27 2dbh h VAL 26 Ca -0.00 -1.67 -0.17 0.00 0.82 0.00 0.00 66.70 65.67 2dbh h VAL 26 Cb 1.05 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 2dbh h VAL 26 CO 0.08 0.54 -0.78 -0.07 0.02 0.00 0.00 177.57 177.36 2dbh h LEU 27 N 0.56 0.09 -0.63 2.57 3.38 -1.49 -3.24 115.31 116.55 2dbh h LEU 27 Ca 0.02 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2dbh h LEU 27 Cb 1.08 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2dbh h LEU 27 CO 0.11 0.83 0.38 -0.09 0.09 0.00 0.00 178.44 179.76 2dbh h ARG 28 N 0.04 0.72 -0.09 1.13 2.43 -1.22 0.80 114.38 118.19 2dbh h ARG 28 Ca -0.02 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2dbh h ARG 28 Cb 1.38 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2dbh h ARG 28 CO 0.11 0.47 -0.17 1.96 -1.51 0.00 0.00 179.97 180.84 2dbh h GLN 29 N 0.74 0.14 0.04 0.20 4.20 -1.56 -2.65 115.11 116.21 2dbh h GLN 29 Ca 0.26 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.67 2dbh h GLN 29 Cb 0.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2dbh h GLN 29 CO -0.12 0.31 -1.41 0.28 -0.67 0.00 0.00 178.83 177.23 2dbh h VAL 30 N 0.13 1.24 -0.34 -0.54 2.07 -1.31 -3.32 116.25 114.19 2dbh h VAL 30 Ca 0.03 -2.97 0.01 0.00 0.82 0.00 0.00 66.70 64.58 2dbh h VAL 30 Cb 0.38 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 2dbh h VAL 30 CO 0.02 0.77 0.23 0.03 0.02 0.00 0.00 177.57 178.64 2dbh h ARG 31 N 0.02 0.42 -0.10 1.57 3.08 0.93 -1.45 114.38 118.85 2dbh h ARG 31 Ca -0.18 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.71 2dbh h ARG 31 Cb 1.93 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.88 2dbh h ARG 31 CO 0.12 0.28 -0.54 -0.07 -1.07 0.00 0.00 179.97 178.69 2dbh h LEU 32 N 0.43 0.31 -7.12 3.04 3.38 -1.60 -3.45 115.31 110.30 2dbh h LEU 32 Ca 0.13 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2dbh h LEU 32 Cb -0.00 -0.09 -0.22 0.00 0.09 0.00 0.00 40.66 40.44 2dbh h LEU 32 CO -0.03 0.79 -0.02 -0.62 0.09 0.00 0.00 178.44 178.65 2dbh s ASP 33 N -6.89 -0.64 -0.02 -0.43 -1.08 -0.55 -5.14 116.67 101.92 2dbh s ASP 33 Ca -0.05 1.22 -0.30 0.00 -0.52 0.00 0.00 52.55 52.90 2dbh s ASP 33 Cb 0.12 1.22 -0.05 0.00 -1.46 0.00 0.00 42.92 42.76 2dbh s ASP 33 CO 0.80 -0.21 1.37 -2.16 0.52 0.00 0.00 175.17 175.49 2dbh s PRO 34 N 0.42 4.29 0.26 4.34 0.04 -1.24 -4.39 135.00 138.72 2dbh s PRO 34 Ca -0.01 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.05 2dbh s PRO 34 Cb -0.04 -3.59 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 2dbh s PRO 34 CO -0.01 -0.57 -0.17 0.00 0.04 0.00 0.00 177.00 176.30 2dbh s ASP 36 N -3.45 4.81 -0.38 0.00 -4.77 -1.26 -4.80 116.67 106.82 2dbh s ASP 36 Ca 0.28 1.39 0.06 0.00 -3.30 0.00 0.00 52.55 50.98 2dbh s ASP 36 Cb -0.03 -2.50 0.61 0.00 -1.09 0.00 0.00 42.92 39.91 2dbh s ASP 36 CO 0.12 -2.54 1.73 0.18 0.70 0.00 0.00 175.17 175.36 2dbh n LEU 37 N 14.34 5.64 -0.10 2.11 4.77 -1.26 -4.56 117.00 137.94 2dbh n LEU 37 Ca 0.34 -3.65 -0.17 0.00 -0.03 0.00 0.00 56.01 52.50 2dbh n LEU 37 Cb 0.51 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 2dbh n LEU 37 CO 0.69 1.12 -0.78 0.00 -1.33 0.00 0.00 177.39 177.09 2dbh n GLN 38 N -1.08 0.54 0.10 3.23 1.13 -1.26 -4.06 117.38 115.98 2dbh n GLN 38 Ca 0.48 0.39 0.18 0.00 -1.94 0.00 0.00 57.00 56.11 2dbh n GLN 38 Cb 1.40 -1.59 0.73 0.00 0.11 0.00 0.00 30.24 30.89 2dbh n GLN 38 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 2dbh h PRO 39 N -1.00 0.00 0.00 -1.09 0.11 -1.99 0.28 132.00 128.32 2dbh h PRO 39 Ca -0.29 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 2dbh h PRO 39 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2dbh h PRO 39 CO -0.17 0.00 -0.56 0.82 -0.21 0.00 0.00 178.00 177.88 2dbh h ILE 40 N 0.00 1.17 0.01 4.15 2.04 -1.84 -2.56 117.51 120.49 2dbh h ILE 40 Ca 0.17 -2.07 -0.31 0.00 1.00 0.00 0.00 64.86 63.64 2dbh h ILE 40 Cb 0.76 2.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 2dbh h ILE 40 CO -0.00 0.55 -1.71 0.49 0.00 0.00 0.00 178.15 177.47 2dbh n PHE 41 N -3.55 0.74 -0.36 1.37 3.01 0.14 -3.55 117.46 115.27 2dbh n PHE 41 Ca -0.00 0.29 0.03 0.00 1.01 0.00 0.00 57.45 58.78 2dbh n PHE 41 Cb 0.63 -1.08 0.19 0.00 -0.01 0.00 0.00 39.48 39.22 2dbh n PHE 41 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2dbh h ASP 42 N -0.87 1.02 0.58 4.37 5.19 -0.68 0.87 116.42 126.91 2dbh h ASP 42 Ca -0.46 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 55.85 2dbh h ASP 42 Cb 1.48 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.76 2dbh h ASP 42 CO -0.24 0.64 -0.55 -0.78 -3.12 0.00 0.00 179.24 175.19 2dbh h ASP 43 N 1.15 0.00 0.67 6.45 1.82 -1.65 -2.97 116.42 121.89 2dbh h ASP 43 Ca 0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.07 2dbh h ASP 43 Cb 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2dbh h ASP 43 CO -0.18 0.55 -0.81 0.23 -1.61 0.00 0.00 179.24 177.43 2dbh n MET 44 N -3.85 0.29 -0.08 0.28 2.81 -0.42 -4.08 117.12 112.08 2dbh n MET 44 Ca -0.01 0.05 0.24 0.00 -1.81 0.00 0.00 57.70 56.16 2dbh n MET 44 Cb 0.57 -1.64 0.71 0.00 -0.71 0.00 0.00 33.22 32.14 2dbh n MET 44 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2dbh h LEU 45 N 0.00 0.00 -0.46 4.03 3.38 0.89 0.30 115.31 123.45 2dbh h LEU 45 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2dbh h LEU 45 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2dbh h LEU 45 CO 0.00 0.00 -0.77 -0.74 0.09 0.00 0.00 178.44 177.02 2dbh h HIS 46 N 0.00 0.10 -0.07 1.13 2.76 -1.74 -3.20 115.15 114.14 2dbh h HIS 46 Ca 0.33 -0.05 -0.20 0.00 -2.20 0.00 0.00 60.37 58.25 2dbh h HIS 46 Cb 1.33 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.27 2dbh h HIS 46 CO 0.00 0.81 -0.79 0.74 -1.30 0.00 0.00 177.93 177.38 2dbh h PHE 47 N 0.04 0.64 -4.27 5.26 -1.00 -0.67 -3.45 116.94 113.49 2dbh h PHE 47 Ca -0.02 -0.30 -0.46 0.00 2.81 0.00 0.00 57.97 60.00 2dbh h PHE 47 Cb 1.35 -0.09 0.13 0.00 3.61 0.00 0.00 35.95 40.95 2dbh h PHE 47 CO 0.01 1.08 0.32 -0.51 -1.61 0.00 0.00 178.31 177.60 2dbh s LEU 48 N -7.96 2.09 0.35 1.54 1.43 -0.68 -5.09 118.68 110.36 2dbh s LEU 48 Ca -0.06 0.87 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 2dbh s LEU 48 Cb 0.10 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 2dbh s LEU 48 CO 0.86 -2.51 0.23 0.20 0.23 0.00 0.00 176.35 175.35 2dbh s ASN 49 N -4.18 4.93 0.30 2.29 -0.87 -1.26 -4.97 114.94 111.19 2dbh s ASN 49 Ca 0.64 -0.68 -0.02 0.00 -1.57 0.00 0.00 52.86 51.24 2dbh s ASN 49 Cb -0.13 -0.79 0.44 0.00 -0.02 0.00 0.00 41.25 40.75 2dbh s ASN 49 CO 0.53 -0.37 1.92 1.55 -2.57 0.00 0.00 177.10 178.16 2dbh h PRO 50 N 1.37 0.98 -0.02 -0.60 0.13 -1.98 -1.16 132.00 130.72 2dbh h PRO 50 Ca -0.44 -0.10 -0.15 0.00 -0.87 0.00 0.00 66.00 64.44 2dbh h PRO 50 Cb 1.25 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2dbh h PRO 50 CO 0.61 0.72 -0.66 1.49 -0.23 0.00 0.00 178.00 179.93 2dbh h GLU 51 N 0.99 0.11 -0.07 0.86 4.57 -2.01 -3.03 114.58 116.00 2dbh h GLU 51 Ca 0.25 -0.08 -0.18 0.00 -1.18 0.00 0.00 59.36 58.17 2dbh h GLU 51 Cb 0.02 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2dbh h GLU 51 CO -0.04 0.73 -0.73 0.93 -1.18 0.00 0.00 179.01 178.72 2dbh h GLU 52 N 0.07 0.36 -0.07 1.92 5.08 -1.82 -3.11 114.58 117.02 2dbh h GLU 52 Ca -0.01 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 2dbh h GLU 52 Cb 1.18 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2dbh h GLU 52 CO 0.09 0.94 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.65 2dbh h LEU 53 N 0.24 0.13 -1.89 1.33 3.38 -1.17 -2.58 115.31 114.76 2dbh h LEU 53 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2dbh h LEU 53 Cb 1.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2dbh h LEU 53 CO 0.12 0.46 0.08 -0.09 0.09 0.00 0.00 178.44 179.11 2dbh h ARG 54 N 0.12 0.15 0.07 1.13 2.43 -1.46 0.47 114.38 117.29 2dbh h ARG 54 Ca 0.02 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 2dbh h ARG 54 Cb 0.64 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2dbh h ARG 54 CO 0.05 0.10 -1.13 0.28 -1.51 0.00 0.00 179.97 177.76 2dbh h VAL 55 N 0.16 1.60 0.04 0.20 2.07 -1.56 -3.28 116.25 115.48 2dbh h VAL 55 Ca 0.05 -3.24 -0.23 0.00 0.82 0.00 0.00 66.70 64.10 2dbh h VAL 55 Cb -0.01 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2dbh h VAL 55 CO -0.01 0.93 -1.12 0.40 0.02 0.00 0.00 177.57 177.80 2dbh h ILE 56 N 0.04 1.60 -0.55 4.57 2.04 -1.18 -3.28 117.51 120.75 2dbh h ILE 56 Ca -0.08 -3.28 -0.00 0.00 1.00 0.00 0.00 64.86 62.50 2dbh h ILE 56 Cb 1.88 2.85 -0.03 0.00 -0.74 0.00 0.00 36.82 40.78 2dbh h ILE 56 CO 0.17 0.93 0.34 -0.33 0.00 0.00 0.00 178.15 179.26 2dbh h GLU 57 N 0.02 0.74 -0.35 2.37 4.39 -0.18 -1.59 114.58 119.97 2dbh h GLU 57 Ca -0.06 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.65 2dbh h GLU 57 Cb 1.84 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.31 2dbh h GLU 57 CO 0.15 0.51 0.24 0.93 -1.16 0.00 0.00 179.01 179.68 2dbh h GLU 58 N 0.75 0.19 -6.36 2.33 5.08 -1.62 -3.40 114.58 111.57 2dbh h GLU 58 Ca 0.20 -0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.98 2dbh h GLU 58 Cb -0.05 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2dbh h GLU 58 CO -0.04 0.13 1.14 0.42 -1.00 0.00 0.00 179.01 179.66 2dbh s ILE 59 N -5.21 3.72 0.03 3.13 1.01 -0.60 -4.90 121.20 118.38 2dbh s ILE 59 Ca -0.06 0.77 -0.19 0.00 0.00 0.00 0.00 60.65 61.17 2dbh s ILE 59 Cb 0.18 -3.87 -0.19 0.00 0.01 0.00 0.00 42.46 38.60 2dbh s ILE 59 CO 0.72 -0.48 1.20 1.55 0.00 0.00 0.00 174.94 177.93 2dbh h PRO 60 N 11.26 0.44 -7.27 2.79 0.13 -1.86 -3.46 132.00 134.03 2dbh h PRO 60 Ca -0.31 -0.36 -0.50 0.00 -0.87 0.00 0.00 66.00 63.96 2dbh h PRO 60 Cb 1.14 0.08 0.06 0.00 0.13 0.00 0.00 31.00 32.40 2dbh h PRO 60 CO 1.04 0.99 0.38 -0.65 -0.23 0.00 0.00 178.00 179.54 2dbh s GLN 61 N -3.64 3.44 -0.02 0.86 -1.52 -1.26 -4.99 119.66 112.54 2dbh s GLN 61 Ca -0.13 0.97 0.10 0.00 -1.95 0.00 0.00 55.36 54.35 2dbh s GLN 61 Cb 0.05 -2.06 -0.23 0.00 -0.22 0.00 0.00 33.01 30.55 2dbh s GLN 61 CO 0.80 -0.70 0.76 0.00 -0.25 0.00 0.00 175.29 175.90 2dbh h ALA 62 N 0.09 0.68 -0.81 6.09 0.00 -1.99 -3.14 119.26 120.18 2dbh h ALA 62 Ca -0.45 -1.37 0.02 0.00 0.00 0.00 0.00 54.91 53.11 2dbh h ALA 62 Cb 1.20 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2dbh h ALA 62 CO 0.59 1.51 0.53 1.49 0.00 0.00 0.00 179.25 183.38 2dbh h GLU 63 N 0.01 1.04 0.00 0.00 4.81 -1.99 -2.27 114.58 116.17 2dbh h GLU 63 Ca -0.25 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 58.73 2dbh h GLU 63 Cb 1.98 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 31.10 2dbh h GLU 63 CO 0.09 0.69 -0.91 -0.44 -0.73 0.00 0.00 179.01 177.70 2dbh h ASP 64 N 1.07 0.00 -0.85 1.04 3.32 -1.99 -3.29 116.42 115.72 2dbh h ASP 64 Ca 0.31 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.39 2dbh h ASP 64 Cb -0.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 2dbh h ASP 64 CO -0.08 0.91 0.54 0.50 -1.72 0.00 0.00 179.24 179.39 2dbh h LYS 65 N 0.00 1.02 -0.06 3.56 3.64 -1.37 -1.35 116.57 122.01 2dbh h LYS 65 Ca -0.01 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2dbh h LYS 65 Cb 1.68 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 2dbh h LYS 65 CO 0.12 0.68 -0.23 1.25 -2.27 0.00 0.00 179.45 178.99 2dbh h LEU 66 N 1.05 0.09 -1.39 5.20 5.85 -1.52 -2.14 115.31 122.46 2dbh h LEU 66 Ca 0.34 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 2dbh h LEU 66 Cb 0.02 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2dbh h LEU 66 CO -0.12 0.33 -0.17 -0.78 -0.34 0.00 0.00 178.44 177.36 2dbh h ASP 67 N 0.09 0.18 0.69 1.25 1.82 -1.34 -2.71 116.42 116.40 2dbh h ASP 67 Ca 0.02 -0.04 -0.26 0.00 -0.39 0.00 0.00 57.03 56.35 2dbh h ASP 67 Cb 0.47 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.41 2dbh h ASP 67 CO 0.03 0.37 -1.32 -0.09 -1.61 0.00 0.00 179.24 176.62 2dbh h ARG 68 N 0.17 0.11 -0.16 0.28 2.43 -1.22 -3.19 114.38 112.81 2dbh h ARG 68 Ca 0.03 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2dbh h ARG 68 Cb 0.42 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2dbh h ARG 68 CO 0.03 0.98 0.11 1.25 -1.51 0.00 0.00 179.97 180.83 2dbh h LEU 69 N 0.03 0.02 0.00 3.80 5.85 -1.08 -0.98 115.31 122.95 2dbh h LEU 69 Ca -0.15 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.39 2dbh h LEU 69 Cb 1.92 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.91 2dbh h LEU 69 CO 0.14 0.01 -1.16 -0.26 -0.34 0.00 0.00 178.44 176.83 2dbh h PHE 70 N 0.02 0.00 -0.39 1.25 -1.00 -1.60 -3.08 116.94 112.14 2dbh h PHE 70 Ca 0.07 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 2dbh h PHE 70 Cb 0.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 2dbh h PHE 70 CO -0.00 0.70 0.07 1.49 -1.61 0.00 0.00 178.31 178.96 2dbh h GLU 71 N 0.00 0.63 0.27 1.51 4.22 -1.17 0.85 114.58 120.88 2dbh h GLU 71 Ca -0.12 -0.16 -0.01 0.00 0.08 0.00 0.00 59.36 59.14 2dbh h GLU 71 Cb 1.64 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2dbh h GLU 71 CO 0.07 0.68 -0.13 0.82 -2.18 0.00 0.00 179.01 178.27 2dbh h ILE 72 N 0.48 0.24 0.00 2.32 2.04 -1.58 -3.30 117.51 117.71 2dbh h ILE 72 Ca 0.12 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 2dbh h ILE 72 Cb 0.35 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2dbh h ILE 72 CO 0.01 0.07 -0.22 0.40 0.00 0.00 0.00 178.15 178.40 2dbh h ILE 73 N -1.05 1.15 0.00 -0.67 2.04 -1.63 -2.25 117.51 115.11 2dbh h ILE 73 Ca -0.04 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.07 2dbh h ILE 73 Cb 0.38 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2dbh h ILE 73 CO 0.06 0.22 0.07 1.23 0.00 0.00 0.00 178.15 179.72 2dbh h GLY 74 N 0.67 0.00 -2.13 5.37 0.00 0.66 -1.54 103.07 106.09 2dbh h GLY 74 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 2dbh h GLY 74 CO 0.03 0.00 -0.69 3.33 0.00 0.00 0.00 176.54 179.21 2dbh n VAL 75 N -3.00 1.87 -0.01 4.60 0.24 -0.85 -4.18 118.33 117.00 2dbh n VAL 75 Ca -0.03 -3.07 -0.01 0.00 -2.04 0.00 0.00 64.34 59.19 2dbh n VAL 75 Cb 0.13 -0.14 -0.00 0.00 -1.47 0.00 0.00 33.84 32.36 2dbh n VAL 75 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2dbh n LYS 76 N -0.75 0.07 -3.66 7.34 4.81 -0.58 -5.07 118.16 120.32 2dbh n LYS 76 Ca 0.21 0.03 0.04 0.00 -0.87 0.00 0.00 58.31 57.72 2dbh n LYS 76 Cb 0.83 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 35.35 2dbh n LYS 76 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dbh s SER 77 N -4.53 -0.01 0.32 3.14 0.15 -1.25 -5.02 113.70 106.49 2dbh s SER 77 Ca -0.04 -0.04 0.15 0.00 0.70 0.00 0.00 55.95 56.73 2dbh s SER 77 Cb 0.01 0.04 0.46 0.00 -1.71 0.00 0.00 66.02 64.81 2dbh s SER 77 CO 0.06 -0.07 1.64 -0.61 1.20 0.00 0.00 173.24 175.46 2dbh h GLN 78 N 2.00 0.00 -0.49 5.44 4.15 -1.93 0.16 115.11 124.44 2dbh h GLN 78 Ca -0.30 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.08 2dbh h GLN 78 Cb 1.19 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 2dbh h GLN 78 CO 0.30 0.51 0.15 0.93 -1.93 0.00 0.00 178.83 178.78 2dbh h GLU 79 N 0.00 0.73 0.01 1.69 4.39 -1.99 -1.02 114.58 118.39 2dbh h GLU 79 Ca -0.01 -0.13 -0.36 0.00 0.34 0.00 0.00 59.36 59.21 2dbh h GLU 79 Cb 1.06 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.53 2dbh h GLU 79 CO 0.07 0.64 -2.26 0.00 -1.16 0.00 0.00 179.01 176.30 2dbh n ALA 80 N -2.46 1.43 0.12 3.43 0.00 -1.17 -4.06 120.51 117.79 2dbh n ALA 80 Ca 0.04 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.23 2dbh n ALA 80 Cb 0.19 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 2dbh n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dbh h SER 81 N 0.01 -0.22 -0.17 0.00 0.87 -0.63 -0.81 113.55 112.60 2dbh h SER 81 Ca -0.50 -0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.01 2dbh h SER 81 Cb 2.10 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 64.11 2dbh h SER 81 CO 0.01 -0.03 0.13 -0.61 -0.53 0.00 0.00 176.83 175.80 2dbh h GLN 82 N -0.40 0.00 0.01 2.24 -0.00 -1.40 -0.66 115.11 114.90 2dbh h GLN 82 Ca -0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.43 2dbh h GLN 82 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.77 2dbh h GLN 82 CO 0.04 0.00 -0.92 1.15 0.00 0.00 0.00 178.83 179.11 2dbh h THR 83 N 0.00 1.57 0.56 2.39 2.02 -1.62 -2.77 112.91 115.06 2dbh h THR 83 Ca 0.08 -2.88 -0.03 0.00 0.77 0.00 0.00 66.41 64.35 2dbh h THR 83 Cb 0.34 2.60 0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2dbh h THR 83 CO -0.00 0.83 -0.27 0.25 0.37 0.00 0.00 175.52 176.70 2dbh h LEU 84 N 0.05 -0.64 -1.73 2.58 5.85 0.36 0.33 115.31 122.11 2dbh h LEU 84 Ca -0.03 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2dbh h LEU 84 Cb 1.58 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 2dbh h LEU 84 CO 0.13 -0.31 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.82 2dbh h LEU 85 N -0.98 0.11 -0.12 2.25 3.38 -1.58 -2.22 115.31 116.15 2dbh h LEU 85 Ca -0.08 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.64 2dbh h LEU 85 Cb 0.64 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2dbh h LEU 85 CO 0.13 0.17 -0.99 -0.78 0.09 0.00 0.00 178.44 177.06 2dbh h ASP 86 N 0.12 0.58 0.04 -0.43 3.58 -1.37 -3.20 116.42 115.74 2dbh h ASP 86 Ca 0.03 -0.48 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 2dbh h ASP 86 Cb 0.15 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2dbh h ASP 86 CO 0.01 1.29 -0.09 -1.28 -2.88 0.00 0.00 179.24 176.28 2dbh h SER 87 N 0.24 0.12 -0.29 2.28 0.87 0.26 0.87 113.55 117.90 2dbh h SER 87 Ca -0.09 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 2dbh h SER 87 Cb 1.64 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.56 2dbh h SER 87 CO 0.17 0.24 -0.15 0.58 -0.53 0.00 0.00 176.83 177.15 2dbh h VAL 88 N 0.13 1.30 0.02 2.23 2.07 -1.48 -2.46 116.25 118.06 2dbh h VAL 88 Ca 0.03 -1.24 -0.25 0.00 0.82 0.00 0.00 66.70 66.05 2dbh h VAL 88 Cb 0.26 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2dbh h VAL 88 CO 0.01 0.40 -1.33 1.88 0.02 0.00 0.00 177.57 178.55 2dbh h TYR 89 N 0.35 0.08 -0.10 1.57 0.05 -1.49 -1.65 116.97 115.78 2dbh h TYR 89 Ca 0.06 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2dbh h TYR 89 Cb 0.67 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 2dbh h TYR 89 CO 0.06 1.07 -0.14 1.03 -1.05 0.00 0.00 178.16 179.13 2dbh h SER 90 N 0.01 0.15 0.12 3.88 0.87 0.73 -3.08 113.55 116.23 2dbh h SER 90 Ca -0.14 -0.03 -0.36 0.00 -1.23 0.00 0.00 61.79 60.03 2dbh h SER 90 Cb 1.90 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 63.76 2dbh h SER 90 CO 0.12 0.31 -2.21 1.41 -0.53 0.00 0.00 176.83 175.94 2dbh n HIS 91 N -4.29 0.45 -3.76 2.24 8.25 -0.93 -4.74 115.22 112.44 2dbh n HIS 91 Ca -0.01 0.12 -0.35 0.00 -0.26 0.00 0.00 57.72 57.22 2dbh n HIS 91 Cb 0.26 -1.07 -0.10 0.00 1.12 0.00 0.00 29.99 30.20 2dbh n HIS 91 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dbh s LEU 92 N -6.24 5.06 0.46 2.41 1.43 -0.62 -4.92 118.68 116.25 2dbh s LEU 92 Ca -0.19 -2.91 0.24 0.00 -1.03 0.00 0.00 54.13 50.24 2dbh s LEU 92 Cb 0.07 -1.81 1.09 0.00 0.03 0.00 0.00 46.19 45.57 2dbh s LEU 92 CO 0.75 -0.33 1.91 1.55 0.23 0.00 0.00 176.35 180.45 2dbh h PRO 93 N 6.89 0.00 -0.26 1.29 0.13 -1.83 -2.94 132.00 135.28 2dbh h PRO 93 Ca -0.02 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.18 2dbh h PRO 93 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2dbh h PRO 93 CO 0.71 0.21 0.19 0.22 -0.23 0.00 0.00 178.00 179.09 2dbh h ASP 94 N 0.00 0.02 0.00 1.44 3.58 -1.91 -2.57 116.42 116.98 2dbh h ASP 94 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dbh h ASP 94 Cb 0.61 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2dbh h ASP 94 CO 0.03 0.01 0.00 0.18 -2.88 0.00 0.00 179.24 176.58 2dbh n LEU 95 N -4.47 0.20 -3.97 2.28 4.77 -1.11 -4.28 117.00 110.42 2dbh n LEU 95 Ca 0.03 0.71 -0.31 0.00 -0.03 0.00 0.00 56.01 56.41 2dbh n LEU 95 Cb 0.32 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 2dbh n LEU 95 CO 0.35 -0.29 0.01 -0.76 -1.33 0.00 0.00 177.39 175.37 2dbh s LEU 96 N -2.72 4.88 0.00 2.23 1.43 -1.20 -4.58 118.68 118.72 2dbh s LEU 96 Ca 0.00 -3.52 0.00 0.00 -1.03 0.00 0.00 54.13 49.58 2dbh s LEU 96 Cb 0.00 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2dbh s LEU 96 CO 0.00 -0.17 0.00 -0.24 0.23 0.00 0.00 176.35 176.17 2dbh n SER 97 N 2.48 0.00 -0.40 2.29 2.88 -0.97 -4.92 113.62 114.97 2dbh n SER 97 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2dbh n SER 97 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2dbh n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbh n GLY 98 N -0.61 1.45 0.28 0.46 0.00 -1.22 -4.95 105.19 100.60 2dbh n GLY 98 Ca 0.00 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 2dbh n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dbh h PRO 99 N 0.00 -0.20 -5.88 1.61 0.11 -1.93 -3.37 132.00 122.34 2dbh h PRO 99 Ca 0.00 0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.62 2dbh h PRO 99 Cb 0.00 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 2dbh h PRO 99 CO 0.00 -0.14 1.47 -1.54 -0.21 0.00 0.00 178.00 177.58 2dbh s SER 100 N -5.07 5.05 -0.21 -2.05 1.04 -1.26 -4.69 113.70 106.50 2dbh s SER 100 Ca -0.15 0.90 0.16 0.00 0.48 0.00 0.00 55.95 57.35 2dbh s SER 100 Cb 0.13 -2.52 0.38 0.00 0.10 0.00 0.00 66.02 64.11 2dbh s SER 100 CO 0.69 -2.44 1.27 -0.24 0.98 0.00 0.00 173.24 173.49 2dbh n SER 101 N 13.55 -0.08 0.00 7.02 2.88 -1.26 -3.93 113.62 131.80 2dbh n SER 101 Ca 0.28 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 2dbh n SER 101 Cb 0.52 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2dbh n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42