#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dwk s GLN 3 N 0.00 1.14 0.10 9.51 -1.52 -1.26 -5.08 119.66 122.55 1dwk s GLN 3 Ca 0.00 -0.49 0.04 0.00 -1.95 0.00 0.00 55.36 52.96 1dwk s GLN 3 Cb 0.00 -1.09 -0.04 0.00 -0.22 0.00 0.00 33.01 31.66 1dwk s GLN 3 CO 0.00 0.28 -0.11 -1.54 -0.25 0.00 0.00 175.29 173.68 1dwk s SER 4 N -0.28 1.53 0.23 5.90 1.04 -1.26 -0.80 113.70 120.05 1dwk s SER 4 Ca 0.04 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 55.72 1dwk s SER 4 Cb -0.06 -0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1dwk s SER 4 CO -0.00 -0.25 0.26 -1.10 0.98 0.00 0.00 173.24 173.12 1dwk s GLN 5 N -2.79 3.15 0.00 4.02 -1.52 -0.16 -4.88 119.66 117.48 1dwk s GLN 5 Ca 0.06 -0.90 0.00 0.00 -1.95 0.00 0.00 55.36 52.57 1dwk s GLN 5 Cb -0.03 -2.72 0.00 0.00 -0.22 0.00 0.00 33.01 30.04 1dwk s GLN 5 CO 0.00 0.43 0.26 0.44 -0.25 0.00 0.00 175.29 176.17 1dwk n ILE 6 N -1.13 0.00 -3.99 1.08 -5.35 -1.26 -3.92 119.36 104.79 1dwk n ILE 6 Ca -0.08 -0.30 -0.30 0.00 -0.27 0.00 0.00 62.75 61.80 1dwk n ILE 6 Cb 0.57 1.35 -0.16 0.00 -1.74 0.00 0.00 39.64 39.66 1dwk n ILE 6 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1dwk s ASN 7 N -0.08 3.22 0.58 7.28 2.47 -1.26 -4.95 114.94 122.21 1dwk s ASN 7 Ca 0.00 -0.80 0.35 0.00 0.42 0.00 0.00 52.86 52.83 1dwk s ASN 7 Cb 0.00 -1.20 1.81 0.00 -1.45 0.00 0.00 41.25 40.41 1dwk s ASN 7 CO 0.00 -0.13 2.17 0.08 -3.72 0.00 0.00 177.10 175.50 1dwk h ARG 8 N 8.00 0.00 0.00 0.43 0.11 -1.94 -3.03 114.38 117.94 1dwk h ARG 8 Ca -0.29 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 1dwk h ARG 8 Cb 1.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.18 1dwk h ARG 8 CO 0.48 0.04 -0.07 -0.91 0.10 0.00 0.00 179.97 179.61 1dwk h ASN 9 N 0.00 0.00 -0.01 0.08 2.35 -1.95 -0.88 115.58 115.16 1dwk h ASN 9 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dwk h ASN 9 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1dwk h ASN 9 CO 0.01 0.07 0.00 0.40 -1.65 0.00 0.00 177.43 176.26 1dwk h ILE 10 N 0.00 1.23 0.00 2.81 1.08 -1.97 0.21 117.51 120.87 1dwk h ILE 10 Ca -0.00 -0.68 -0.13 0.00 -0.39 0.00 0.00 64.86 63.65 1dwk h ILE 10 Cb 0.23 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.63 1dwk h ILE 10 CO 0.01 0.18 -0.64 0.03 -0.69 0.00 0.00 178.15 177.04 1dwk h ARG 11 N -0.26 0.00 -0.11 2.37 2.47 -1.69 -1.99 114.38 115.17 1dwk h ARG 11 Ca 0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 1dwk h ARG 11 Cb 0.29 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1dwk h ARG 11 CO 0.00 0.64 -0.67 -0.07 0.56 0.00 0.00 179.97 180.44 1dwk h LEU 12 N 0.00 0.51 -0.83 3.04 3.38 -1.03 -0.43 115.31 119.95 1dwk h LEU 12 Ca -0.01 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1dwk h LEU 12 Cb 1.27 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1dwk h LEU 12 CO 0.08 1.03 0.53 0.44 0.09 0.00 0.00 178.44 180.62 1dwk h ASP 13 N 0.31 0.87 -0.76 -0.43 3.32 -0.51 -2.07 116.42 117.16 1dwk h ASP 13 Ca -0.02 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.05 1dwk h ASP 13 Cb 1.22 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1dwk h ASP 13 CO 0.12 0.59 0.50 0.25 -1.72 0.00 0.00 179.24 178.98 1dwk h LEU 14 N 1.02 0.84 -0.79 1.55 5.85 -1.23 -2.09 115.31 120.46 1dwk h LEU 14 Ca 0.34 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.07 1dwk h LEU 14 Cb 0.03 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1dwk h LEU 14 CO -0.12 0.60 0.51 0.00 -0.34 0.00 0.00 178.44 179.08 1dwk h ALA 15 N 1.30 1.03 -0.61 1.25 0.00 -0.49 0.88 119.26 122.63 1dwk h ALA 15 Ca 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1dwk h ALA 15 Cb -0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1dwk h ALA 15 CO -0.08 0.35 0.30 -0.44 0.00 0.00 0.00 179.25 179.38 1dwk h ASP 16 N 1.01 0.78 -0.57 0.00 3.32 -0.95 0.46 116.42 120.47 1dwk h ASP 16 Ca 0.31 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1dwk h ASP 16 Cb -0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1dwk h ASP 16 CO -0.10 0.68 0.19 0.00 -1.72 0.00 0.00 179.24 178.29 1dwk h ALA 17 N 1.13 0.75 -0.73 3.45 0.00 -0.83 -0.75 119.26 122.28 1dwk h ALA 17 Ca 0.21 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1dwk h ALA 17 Cb 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1dwk h ALA 17 CO -0.03 0.40 0.46 0.82 0.00 0.00 0.00 179.25 180.91 1dwk h ILE 18 N 0.80 1.10 -0.45 0.00 2.04 -0.50 -1.60 117.51 118.90 1dwk h ILE 18 Ca 0.19 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 1dwk h ILE 18 Cb 0.27 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1dwk h ILE 18 CO -0.01 0.16 -0.13 -0.07 0.00 0.00 0.00 178.15 178.10 1dwk h LEU 19 N 0.89 0.83 -0.49 1.44 3.38 -0.55 0.14 115.31 120.95 1dwk h LEU 19 Ca 0.30 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1dwk h LEU 19 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1dwk h LEU 19 CO -0.12 0.97 0.17 0.25 0.09 0.00 0.00 178.44 179.80 1dwk h LEU 20 N 0.75 0.71 -0.19 1.67 5.85 -0.88 -1.62 115.31 121.60 1dwk h LEU 20 Ca 0.12 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1dwk h LEU 20 Cb 0.64 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1dwk h LEU 20 CO 0.04 0.71 0.12 -1.28 -0.34 0.00 0.00 178.44 177.70 1dwk h SER 21 N 0.66 0.22 -0.71 1.25 0.87 -1.11 -0.62 113.55 114.11 1dwk h SER 21 Ca 0.16 -0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.79 1dwk h SER 21 Cb 0.25 -0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 1dwk h SER 21 CO -0.01 0.19 0.34 0.50 -0.53 0.00 0.00 176.83 177.32 1dwk h LYS 22 N 0.24 0.54 -0.17 2.24 3.64 -0.91 -0.95 116.57 121.19 1dwk h LYS 22 Ca 0.07 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1dwk h LYS 22 Cb 0.00 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1dwk h LYS 22 CO -0.01 0.36 -0.28 0.00 -2.27 0.00 0.00 179.45 177.24 1dwk h ALA 23 N 1.45 0.27 -0.74 5.00 0.00 -0.93 -1.08 119.26 123.24 1dwk h ALA 23 Ca 0.36 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1dwk h ALA 23 Cb 0.43 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1dwk h ALA 23 CO -0.30 0.28 0.49 0.87 0.00 0.00 0.00 179.25 180.58 1dwk h LYS 24 N 0.14 0.83 -0.00 0.00 1.57 -0.83 -2.02 116.57 116.26 1dwk h LYS 24 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1dwk h LYS 24 Cb 0.87 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1dwk h LYS 24 CO 0.06 0.55 -0.08 1.63 -0.57 0.00 0.00 179.45 181.05 1dwk n LYS 25 N -4.46 0.47 -3.77 3.15 5.02 -0.39 -4.95 118.16 113.23 1dwk n LYS 25 Ca 0.10 -0.10 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1dwk n LYS 25 Cb 0.16 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.70 1dwk n LYS 25 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1dwk n ASP 26 N -1.18 -2.02 -4.95 4.39 2.03 -0.58 -4.97 116.55 109.27 1dwk n ASP 26 Ca 0.13 -0.82 -0.25 0.00 0.52 0.00 0.00 54.79 54.37 1dwk n ASP 26 Cb 0.27 -3.96 -0.03 0.00 -0.72 0.00 0.00 41.12 36.69 1dwk n ASP 26 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dwk s LEU 27 N -6.85 4.33 0.21 -2.67 1.02 -0.51 -5.04 118.68 109.17 1dwk s LEU 27 Ca 0.17 0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.52 1dwk s LEU 27 Cb -0.08 -2.91 -0.03 0.00 0.02 0.00 0.00 46.19 43.18 1dwk s LEU 27 CO 0.82 0.03 0.34 -0.94 0.02 0.00 0.00 176.35 176.61 1dwk s SER 28 N -3.37 6.33 0.29 2.29 1.04 -1.26 -4.79 113.70 114.23 1dwk s SER 28 Ca 0.35 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.87 1dwk s SER 28 Cb -0.11 -1.88 0.44 0.00 0.10 0.00 0.00 66.02 64.58 1dwk s SER 28 CO 0.29 -0.03 1.88 -0.26 0.98 0.00 0.00 173.24 176.09 1dwk h PHE 29 N 1.47 0.89 -0.47 5.02 0.04 -1.99 -2.12 116.94 119.78 1dwk h PHE 29 Ca -0.51 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.25 1dwk h PHE 29 Cb 1.22 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 1dwk h PHE 29 CO 0.48 0.68 0.24 0.00 -0.60 0.00 0.00 178.31 179.10 1dwk h ALA 30 N 1.41 0.59 -0.13 2.45 0.00 -1.96 -1.78 119.26 119.84 1dwk h ALA 30 Ca 0.21 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1dwk h ALA 30 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1dwk h ALA 30 CO -0.02 -0.11 -0.37 1.05 0.00 0.00 0.00 179.25 179.80 1dwk h GLU 31 N 0.48 0.26 -0.39 0.00 4.11 -1.92 -1.04 114.58 116.08 1dwk h GLU 31 Ca 0.20 -0.12 -0.15 0.00 0.07 0.00 0.00 59.36 59.37 1dwk h GLU 31 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1dwk h GLU 31 CO -0.14 0.60 -0.35 0.82 0.07 0.00 0.00 179.01 180.02 1dwk h ILE 32 N 0.23 1.27 0.00 -1.06 2.04 -1.10 -2.77 117.51 116.12 1dwk h ILE 32 Ca 0.02 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.31 1dwk h ILE 32 Cb 0.76 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1dwk h ILE 32 CO 0.06 0.51 -0.28 0.00 0.00 0.00 0.00 178.15 178.44 1dwk h ALA 33 N 0.85 0.84 -2.13 1.87 0.00 -1.15 -3.45 119.26 116.09 1dwk h ALA 33 Ca 0.07 -0.25 -0.61 0.00 0.00 0.00 0.00 54.91 54.12 1dwk h ALA 33 Cb 0.93 -0.04 0.05 0.00 0.00 0.00 0.00 17.79 18.72 1dwk h ALA 33 CO 0.09 0.35 0.79 -3.47 0.00 0.00 0.00 179.25 177.00 1dwk n ASP 34 N -3.19 2.89 0.00 0.00 2.03 -0.41 -2.39 116.55 115.47 1dwk n ASP 34 Ca 0.02 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1dwk n ASP 34 Cb 0.62 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1dwk n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dwk n GLY 35 N 3.42 0.59 0.07 0.27 0.00 -1.26 -4.92 105.19 103.37 1dwk n GLY 35 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1dwk n GLY 35 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dwk n THR 36 N -2.00 0.40 -1.00 2.61 5.66 -1.01 -4.92 114.28 114.02 1dwk n THR 36 Ca 0.00 -0.42 -0.00 0.00 -3.05 0.00 0.00 64.05 60.58 1dwk n THR 36 Cb 0.00 -0.13 -0.00 0.00 -1.55 0.00 0.00 70.33 68.65 1dwk n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1dwk n GLY 37 N 1.26 0.26 3.46 1.09 0.00 -1.26 -4.88 105.19 105.12 1dwk n GLY 37 Ca 0.01 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1dwk n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dwk s LEU 38 N -0.01 2.58 0.48 0.99 1.43 -1.26 -5.10 118.68 117.79 1dwk s LEU 38 Ca 0.00 -0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 52.21 1dwk s LEU 38 Cb 0.00 -1.41 -0.07 0.00 0.03 0.00 0.00 46.19 44.74 1dwk s LEU 38 CO 0.00 0.16 1.35 0.00 0.23 0.00 0.00 176.35 178.10 1dwk s ALA 39 N -1.24 3.04 0.35 4.21 0.00 -1.26 -4.83 121.76 122.03 1dwk s ALA 39 Ca 0.18 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.51 1dwk s ALA 39 Cb -0.10 -3.54 0.71 0.00 0.00 0.00 0.00 23.12 20.19 1dwk s ALA 39 CO 0.09 -1.15 1.93 1.05 0.00 0.00 0.00 175.76 177.68 1dwk h GLU 40 N 2.00 0.78 -0.36 0.00 4.11 -1.93 -1.07 114.58 118.12 1dwk h GLU 40 Ca -0.50 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 58.80 1dwk h GLU 40 Cb 1.27 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1dwk h GLU 40 CO 0.60 0.52 -0.12 0.00 0.07 0.00 0.00 179.01 180.07 1dwk h ALA 41 N 1.58 1.13 -0.04 1.06 0.00 -1.91 -0.40 119.26 120.67 1dwk h ALA 41 Ca 0.35 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1dwk h ALA 41 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1dwk h ALA 41 CO -0.13 0.55 -0.17 0.35 0.00 0.00 0.00 179.25 179.84 1dwk h PHE 42 N 0.57 0.26 -0.72 0.00 3.57 -1.58 -1.96 116.94 117.08 1dwk h PHE 42 Ca 0.10 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1dwk h PHE 42 Cb 0.54 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1dwk h PHE 42 CO 0.02 0.80 0.36 0.28 -2.23 0.00 0.00 178.31 177.54 1dwk h VAL 43 N -0.36 1.23 -0.38 1.41 2.07 -1.24 -1.51 116.25 117.47 1dwk h VAL 43 Ca -0.01 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1dwk h VAL 43 Cb 0.81 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1dwk h VAL 43 CO 0.04 0.27 0.19 0.74 0.02 0.00 0.00 177.57 178.83 1dwk h THR 44 N 1.01 1.16 -0.62 2.57 2.02 -1.12 -1.21 112.91 116.72 1dwk h THR 44 Ca 0.25 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1dwk h THR 44 Cb 0.11 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1dwk h THR 44 CO -0.03 0.17 0.34 0.00 0.37 0.00 0.00 175.52 176.37 1dwk h ALA 45 N 1.04 1.42 -0.45 6.16 0.00 -1.06 -1.22 119.26 125.15 1dwk h ALA 45 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1dwk h ALA 45 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1dwk h ALA 45 CO -0.02 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.84 1dwk h ALA 46 N 1.50 0.59 -0.78 0.00 0.00 -0.72 0.19 119.26 120.04 1dwk h ALA 46 Ca 0.22 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1dwk h ALA 46 Cb 0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1dwk h ALA 46 CO -0.04 0.25 0.51 -0.07 0.00 0.00 0.00 179.25 179.90 1dwk h LEU 47 N 0.58 0.78 -1.83 0.00 3.38 -0.34 -1.66 115.31 116.22 1dwk h LEU 47 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1dwk h LEU 47 Cb 0.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1dwk h LEU 47 CO -0.00 0.52 0.00 0.18 0.09 0.00 0.00 178.44 179.22 1dwk n LEU 48 N -4.47 2.70 0.00 1.67 4.77 -0.55 -4.20 117.00 116.92 1dwk n LEU 48 Ca 0.11 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1dwk n LEU 48 Cb 0.17 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1dwk n LEU 48 CO 0.34 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1dwk n GLY 49 N 0.81 0.85 0.14 -0.72 0.00 -0.62 -4.82 105.19 100.82 1dwk n GLY 49 Ca 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1dwk n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dwk n GLN 50 N -2.31 0.61 -3.98 1.61 1.13 0.60 -4.71 117.38 110.33 1dwk n GLN 50 Ca 0.00 -1.01 -0.09 0.00 -1.94 0.00 0.00 57.00 53.96 1dwk n GLN 50 Cb 0.00 -1.06 -0.08 0.00 0.11 0.00 0.00 30.24 29.21 1dwk n GLN 50 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1dwk s GLN 51 N -0.50 1.05 -0.12 -1.09 -1.52 -1.22 -4.82 119.66 111.45 1dwk s GLN 51 Ca 0.04 -1.19 -0.05 0.00 -1.95 0.00 0.00 55.36 52.21 1dwk s GLN 51 Cb 0.03 0.34 -0.04 0.00 -0.22 0.00 0.00 33.01 33.12 1dwk s GLN 51 CO 0.04 -0.36 0.08 0.00 -0.25 0.00 0.00 175.29 174.80 1dwk s ALA 52 N -3.96 3.58 0.04 6.09 0.00 -1.26 -4.34 121.76 121.91 1dwk s ALA 52 Ca 0.16 -0.72 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 1dwk s ALA 52 Cb 0.04 -1.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.32 1dwk s ALA 52 CO -0.02 0.53 0.59 -0.51 0.00 0.00 0.00 175.76 176.36 1dwk s LEU 53 N -0.73 4.48 0.83 0.00 1.43 -0.30 -4.98 118.68 119.41 1dwk s LEU 53 Ca 0.12 1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 54.32 1dwk s LEU 53 Cb -0.12 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.19 1dwk s LEU 53 CO 0.03 0.19 0.67 -2.65 0.23 0.00 0.00 176.35 174.82 1dwk n PRO 54 N 2.17 0.05 -0.16 1.29 -0.02 -1.26 -4.19 135.00 132.89 1dwk n PRO 54 Ca -0.08 0.07 -0.01 0.00 -2.02 0.00 0.00 63.50 61.46 1dwk n PRO 54 Cb 0.51 -2.01 0.22 0.00 -0.02 0.00 0.00 33.50 32.20 1dwk n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dwk h ALA 55 N -0.96 1.33 -0.27 3.55 0.00 -1.97 -1.82 119.26 119.12 1dwk h ALA 55 Ca -0.45 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.18 1dwk h ALA 55 Cb 1.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1dwk h ALA 55 CO 0.40 0.51 -0.40 -0.44 0.00 0.00 0.00 179.25 179.33 1dwk h ASP 56 N 0.88 0.69 -0.09 0.00 3.32 -2.00 -1.23 116.42 117.98 1dwk h ASP 56 Ca 0.21 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 1dwk h ASP 56 Cb 0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1dwk h ASP 56 CO -0.03 1.01 -0.30 0.00 -1.72 0.00 0.00 179.24 178.21 1dwk h ALA 57 N 1.02 0.98 -0.05 3.45 0.00 -1.71 -2.57 119.26 120.37 1dwk h ALA 57 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1dwk h ALA 57 Cb 0.93 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1dwk h ALA 57 CO 0.08 0.60 -0.00 0.00 0.00 0.00 0.00 179.25 179.93 1dwk h ALA 58 N 1.20 0.07 -0.14 0.00 0.00 -1.14 -1.68 119.26 117.57 1dwk h ALA 58 Ca 0.06 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1dwk h ALA 58 Cb 0.76 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1dwk h ALA 58 CO 0.06 -0.25 -0.29 0.00 0.00 0.00 0.00 179.25 178.77 1dwk h ARG 59 N -0.20 -0.34 -0.69 0.00 3.08 -0.94 -0.64 114.38 114.65 1dwk h ARG 59 Ca 0.01 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1dwk h ARG 59 Cb 0.34 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1dwk h ARG 59 CO 0.00 -0.23 0.44 1.25 -1.07 0.00 0.00 179.97 180.36 1dwk h LEU 60 N -0.35 0.73 -1.40 3.04 5.85 -1.45 -1.33 115.31 120.40 1dwk h LEU 60 Ca 0.10 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1dwk h LEU 60 Cb 0.51 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1dwk h LEU 60 CO -0.34 0.51 -0.27 -0.37 -0.34 0.00 0.00 178.44 177.63 1dwk h VAL 61 N 0.87 0.87 -0.02 1.05 -1.51 -1.34 -2.72 116.25 113.44 1dwk h VAL 61 Ca 0.27 -1.05 -0.13 0.00 -1.23 0.00 0.00 66.70 64.56 1dwk h VAL 61 Cb -0.01 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 30.76 1dwk h VAL 61 CO -0.09 0.26 -0.59 1.23 -1.23 0.00 0.00 177.57 177.15 1dwk h GLY 62 N 1.32 0.09 0.71 5.19 0.00 -0.52 -2.33 103.07 107.53 1dwk h GLY 62 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1dwk h GLY 62 CO 0.03 0.10 -0.15 0.00 0.00 0.00 0.00 176.54 176.52 1dwk h ALA 63 N 1.34 -0.41 -0.78 3.60 0.00 -0.97 0.16 119.26 122.21 1dwk h ALA 63 Ca -0.01 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1dwk h ALA 63 Cb 1.05 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1dwk h ALA 63 CO 0.08 -0.58 0.40 0.87 0.00 0.00 0.00 179.25 180.02 1dwk h LYS 64 N -0.71 0.62 -0.04 0.00 1.57 -1.26 -1.72 116.57 115.03 1dwk h LYS 64 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1dwk h LYS 64 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1dwk h LYS 64 CO 0.07 0.41 0.00 1.28 -0.57 0.00 0.00 179.45 180.64 1dwk n LEU 65 N -4.85 1.83 -3.58 2.94 4.77 -0.90 -4.96 117.00 112.25 1dwk n LEU 65 Ca 0.14 -0.64 -0.20 0.00 -0.03 0.00 0.00 56.01 55.28 1dwk n LEU 65 Cb 0.33 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1dwk n LEU 65 CO 0.24 0.32 0.04 0.47 -1.33 0.00 0.00 177.39 177.12 1dwk n ASP 66 N 0.43 -2.06 -4.86 -1.43 8.00 -0.46 -4.90 116.55 111.27 1dwk n ASP 66 Ca 0.18 -0.71 -0.31 0.00 0.71 0.00 0.00 54.79 54.65 1dwk n ASP 66 Cb 0.40 -4.59 -0.04 0.00 -0.02 0.00 0.00 41.12 36.86 1dwk n ASP 66 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dwk s LEU 67 N -6.60 3.88 0.91 0.64 1.43 0.45 -5.04 118.68 114.35 1dwk s LEU 67 Ca 0.07 1.30 -0.14 0.00 -1.03 0.00 0.00 54.13 54.33 1dwk s LEU 67 Cb -0.03 -4.16 0.14 0.00 0.03 0.00 0.00 46.19 42.17 1dwk s LEU 67 CO 0.77 -0.37 1.21 1.51 0.23 0.00 0.00 176.35 179.71 1dwk s ASP 68 N -2.78 3.60 0.25 2.29 1.47 -1.26 -4.81 116.67 115.44 1dwk s ASP 68 Ca 0.54 0.64 0.03 0.00 1.18 0.00 0.00 52.55 54.94 1dwk s ASP 68 Cb -0.10 -0.99 0.30 0.00 -0.34 0.00 0.00 42.92 41.79 1dwk s ASP 68 CO 0.25 -2.46 1.61 -0.33 0.68 0.00 0.00 175.17 174.93 1dwk h GLU 69 N -1.44 0.37 -0.16 2.11 4.39 -2.00 -2.13 114.58 115.73 1dwk h GLU 69 Ca -0.46 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 58.97 1dwk h GLU 69 Cb 1.30 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1dwk h GLU 69 CO 0.54 0.77 -0.20 -0.44 -1.16 0.00 0.00 179.01 178.52 1dwk h ASP 70 N 0.30 0.26 -0.27 1.42 5.19 -1.99 -2.46 116.42 118.87 1dwk h ASP 70 Ca 0.02 -0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.24 1dwk h ASP 70 Cb 0.94 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.38 1dwk h ASP 70 CO 0.08 0.48 -0.30 0.28 -3.12 0.00 0.00 179.24 176.66 1dwk h SER 71 N 0.25 0.73 -0.73 6.45 0.02 -1.76 -0.09 113.55 118.41 1dwk h SER 71 Ca 0.04 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1dwk h SER 71 Cb 0.50 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1dwk h SER 71 CO 0.03 1.07 0.44 0.40 -1.14 0.00 0.00 176.83 177.63 1dwk h ILE 72 N 0.41 1.21 -0.26 3.27 2.04 -1.38 -1.66 117.51 121.13 1dwk h ILE 72 Ca 0.04 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1dwk h ILE 72 Cb 0.87 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1dwk h ILE 72 CO 0.07 0.22 0.03 0.25 0.00 0.00 0.00 178.15 178.72 1dwk h LEU 73 N 1.02 0.42 -1.06 1.44 5.85 -1.35 -3.20 115.31 118.44 1dwk h LEU 73 Ca 0.27 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1dwk h LEU 73 Cb -0.04 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1dwk h LEU 73 CO -0.05 0.60 0.30 -0.07 -0.34 0.00 0.00 178.44 178.88 1dwk h LEU 74 N 0.24 0.88 -2.23 2.25 3.38 -0.65 -1.91 115.31 117.27 1dwk h LEU 74 Ca 0.08 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1dwk h LEU 74 Cb 0.36 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1dwk h LEU 74 CO 0.01 0.76 0.06 -0.07 0.09 0.00 0.00 178.44 179.29 1dwk h LEU 75 N 0.96 0.00 -6.24 1.67 3.38 -1.31 -3.45 115.31 110.32 1dwk h LEU 75 Ca 0.23 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.45 1dwk h LEU 75 Cb 0.13 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.74 1dwk h LEU 75 CO -0.03 0.00 2.18 0.00 0.09 0.00 0.00 178.44 180.68 1dwk n GLN 76 N -4.13 3.77 -4.76 1.13 6.02 -0.72 -1.15 117.38 117.54 1dwk n GLN 76 Ca -0.01 -3.45 -0.33 0.00 -0.01 0.00 0.00 57.00 53.20 1dwk n GLN 76 Cb 0.16 -2.88 -0.15 0.00 1.02 0.00 0.00 30.24 28.38 1dwk n GLN 76 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1dwk s ILE 78 N 0.24 2.59 0.65 5.09 -1.09 0.02 -4.68 121.20 124.03 1dwk s ILE 78 Ca 0.43 -0.81 -0.11 0.00 -2.23 0.00 0.00 60.65 57.93 1dwk s ILE 78 Cb 0.12 -2.07 -0.02 0.00 -1.58 0.00 0.00 42.46 38.91 1dwk s ILE 78 CO -0.02 0.53 1.05 -2.16 -1.23 0.00 0.00 174.94 173.11 1dwk s PRO 79 N 0.58 3.26 -0.65 2.79 0.04 -1.26 -0.99 135.00 138.77 1dwk s PRO 79 Ca -0.10 0.60 -0.22 0.00 0.04 0.00 0.00 61.00 61.32 1dwk s PRO 79 Cb -0.16 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.39 1dwk s PRO 79 CO 0.03 -0.77 0.93 -1.17 0.04 0.00 0.00 177.00 176.06 1dwk s LEU 80 N -5.25 4.52 0.60 -3.56 1.98 -1.25 -4.75 118.68 110.97 1dwk s LEU 80 Ca 0.56 -1.05 -0.14 0.00 -2.89 0.00 0.00 54.13 50.62 1dwk s LEU 80 Cb -0.11 -2.41 -0.04 0.00 0.66 0.00 0.00 46.19 44.30 1dwk s LEU 80 CO 0.53 -1.40 1.03 -0.13 -1.89 0.00 0.00 176.35 174.49 1dwk s ARG 81 N 3.88 3.45 0.00 1.98 0.52 -1.26 -4.49 118.95 123.02 1dwk s ARG 81 Ca 0.21 1.00 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 1dwk s ARG 81 Cb -0.18 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1dwk s ARG 81 CO 0.10 -0.69 0.00 0.41 0.02 0.00 0.00 175.30 175.13 1dwk n GLY 82 N -1.67 2.35 0.04 -3.53 0.00 -1.26 -5.07 105.19 96.05 1dwk n GLY 82 Ca 0.07 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1dwk n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dwk s ILE 84 N -3.20 5.02 0.12 0.00 1.01 -1.26 -4.96 121.20 117.93 1dwk s ILE 84 Ca 0.04 1.35 -0.24 0.00 0.00 0.00 0.00 60.65 61.80 1dwk s ILE 84 Cb 0.14 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1dwk s ILE 84 CO 0.78 0.30 1.67 -0.78 0.00 0.00 0.00 174.94 176.91 1dwk h ASP 85 N 6.46 -0.50 -1.59 3.58 3.58 -1.90 -3.37 116.42 122.69 1dwk h ASP 85 Ca -0.42 0.08 -0.49 0.00 0.42 0.00 0.00 57.03 56.62 1dwk h ASP 85 Cb 1.20 0.21 -0.34 0.00 1.72 0.00 0.00 39.33 42.12 1dwk h ASP 85 CO 0.74 -0.23 -0.99 -0.67 -2.88 0.00 0.00 179.24 175.22 1dwk n ASP 86 N -5.30 -0.42 0.00 2.28 2.03 -1.26 -5.03 116.55 108.85 1dwk n ASP 86 Ca -0.05 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.42 1dwk n ASP 86 Cb 0.22 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1dwk n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1dwk n ARG 87 N 1.38 0.00 -4.32 -0.67 1.74 -1.26 -4.75 116.66 108.77 1dwk n ARG 87 Ca 0.19 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.93 1dwk n ARG 87 Cb 0.56 -0.05 -0.15 0.00 -1.02 0.00 0.00 32.46 31.80 1dwk n ARG 87 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1dwk s ILE 88 N 0.00 2.94 0.50 0.55 -1.09 -1.26 -5.02 121.20 117.81 1dwk s ILE 88 Ca 0.00 -0.67 -0.23 0.00 -2.23 0.00 0.00 60.65 57.52 1dwk s ILE 88 Cb 0.00 -2.27 -0.06 0.00 -1.58 0.00 0.00 42.46 38.54 1dwk s ILE 88 CO 0.00 0.49 1.36 -2.84 -1.23 0.00 0.00 174.94 172.72 1dwk s PRO 89 N 0.98 3.43 -0.03 2.79 0.02 -1.26 -4.90 135.00 136.03 1dwk s PRO 89 Ca -0.02 2.24 0.18 0.00 0.02 0.00 0.00 61.00 63.43 1dwk s PRO 89 Cb -0.15 -2.43 -0.21 0.00 0.02 0.00 0.00 34.50 31.73 1dwk s PRO 89 CO -0.01 -0.96 0.55 0.25 -0.33 0.00 0.00 177.00 176.49 1dwk n THR 90 N -0.63 0.95 -2.23 0.99 -2.24 -1.26 -4.70 114.28 105.15 1dwk n THR 90 Ca 0.08 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 1dwk n THR 90 Cb 0.44 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1dwk n THR 90 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dwk s ASP 91 N -5.40 6.90 0.23 3.42 2.15 -1.26 -4.88 116.67 117.83 1dwk s ASP 91 Ca -0.06 2.32 -0.06 0.00 0.43 0.00 0.00 52.55 55.18 1dwk s ASP 91 Cb 0.09 -2.60 0.38 0.00 -0.30 0.00 0.00 42.92 40.50 1dwk s ASP 91 CO 0.84 -0.56 1.76 -0.65 -0.17 0.00 0.00 175.17 176.39 1dwk h PRO 92 N 6.08 0.55 -0.03 4.34 0.11 -2.05 0.28 132.00 141.27 1dwk h PRO 92 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dwk h PRO 92 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1dwk h PRO 92 CO 0.81 0.36 0.00 2.41 -0.21 0.00 0.00 178.00 181.37 1dwk n THR 93 N -4.90 0.00 0.00 -1.15 -1.04 -1.26 -1.90 114.28 104.03 1dwk n THR 93 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1dwk n THR 93 Cb 0.32 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1dwk n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dwk n TYR 95 N 0.23 0.00 0.08 -1.42 9.36 1.00 -4.20 117.16 122.21 1dwk n TYR 95 Ca 0.00 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.31 1dwk n TYR 95 Cb 0.01 0.00 0.55 0.00 -0.63 0.00 0.00 39.34 39.27 1dwk n TYR 95 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1dwk h ARG 96 N 0.00 0.25 -0.26 2.98 2.47 -1.64 0.15 114.38 118.33 1dwk h ARG 96 Ca 0.00 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 1dwk h ARG 96 Cb 0.00 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1dwk h ARG 96 CO 0.00 0.16 -0.43 0.74 0.56 0.00 0.00 179.97 181.01 1dwk h PHE 97 N 0.25 0.76 -0.82 3.04 0.04 -1.87 -2.70 116.94 115.65 1dwk h PHE 97 Ca 0.13 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 1dwk h PHE 97 Cb 0.20 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 1dwk h PHE 97 CO -0.00 0.95 0.43 -0.92 -0.60 0.00 0.00 178.31 178.17 1dwk h TYR 98 N 0.51 1.14 0.00 -0.55 3.20 -1.45 -3.03 116.97 116.80 1dwk h TYR 98 Ca 0.04 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1dwk h TYR 98 Cb 0.95 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1dwk h TYR 98 CO 0.04 0.81 0.00 -1.91 -1.64 0.00 0.00 178.16 175.46 1dwk n GLU 99 N -4.38 0.17 0.00 1.82 2.13 0.35 -1.32 120.64 119.41 1dwk n GLU 99 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1dwk n GLU 99 Cb 0.11 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1dwk n GLU 99 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1dwk n LEU 101 N 1.74 0.00 0.20 4.31 7.94 -1.15 -0.77 117.00 129.27 1dwk n LEU 101 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1dwk n LEU 101 Cb 0.08 0.00 0.54 0.00 0.53 0.00 0.00 43.42 44.57 1dwk n LEU 101 CO 0.00 0.00 1.00 1.56 -1.11 0.00 0.00 177.39 178.84 1dwk h GLN 102 N 0.00 0.09 0.09 1.96 1.08 -1.52 0.29 115.11 117.10 1dwk h GLN 102 Ca 0.00 -0.01 -0.31 0.00 -1.45 0.00 0.00 58.65 56.88 1dwk h GLN 102 Cb 0.00 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1dwk h GLN 102 CO 0.00 0.15 -1.66 0.28 -0.95 0.00 0.00 178.83 176.65 1dwk h VAL 103 N 0.09 0.81 -0.26 -0.54 2.07 -1.24 -3.41 116.25 113.77 1dwk h VAL 103 Ca 0.02 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1dwk h VAL 103 Cb 0.15 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1dwk h VAL 103 CO 0.01 0.70 0.00 -1.22 0.02 0.00 0.00 177.57 177.08 1dwk n TYR 104 N -3.84 0.35 -0.18 1.57 4.01 -1.22 -4.69 117.16 113.16 1dwk n TYR 104 Ca -0.30 -0.46 -0.08 0.00 -0.16 0.00 0.00 57.90 56.90 1dwk n TYR 104 Cb 0.92 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.94 1dwk n TYR 104 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1dwk h GLY 105 N 1.69 0.86 1.99 2.72 0.00 -0.67 0.14 103.07 109.81 1dwk h GLY 105 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 1dwk h GLY 105 CO 0.00 0.47 -0.59 -0.91 0.00 0.00 0.00 176.54 175.51 1dwk h THR 106 N 0.71 1.42 -0.51 4.70 1.35 -1.84 -1.65 112.91 117.10 1dwk h THR 106 Ca 0.17 -2.03 -0.05 0.00 -0.55 0.00 0.00 66.41 63.95 1dwk h THR 106 Cb 0.26 2.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1dwk h THR 106 CO -0.01 0.58 0.12 0.74 -0.25 0.00 0.00 175.52 176.70 1dwk h THR 107 N 0.01 1.24 -0.53 6.82 2.02 -1.68 -0.40 112.91 120.38 1dwk h THR 107 Ca -0.01 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.32 1dwk h THR 107 Cb 1.05 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 1dwk h THR 107 CO 0.08 0.31 0.35 -0.07 0.37 0.00 0.00 175.52 176.56 1dwk h LEU 108 N 0.71 0.61 -0.10 2.58 3.38 -0.52 0.29 115.31 122.25 1dwk h LEU 108 Ca 0.16 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1dwk h LEU 108 Cb 0.34 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1dwk h LEU 108 CO 0.00 0.44 -0.18 0.50 0.09 0.00 0.00 178.44 179.30 1dwk h LYS 109 N 0.72 -0.23 -0.45 1.13 3.64 -1.18 0.70 116.57 120.90 1dwk h LYS 109 Ca 0.19 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1dwk h LYS 109 Cb -0.08 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1dwk h LYS 109 CO -0.04 -0.15 0.21 0.00 -2.27 0.00 0.00 179.45 177.19 1dwk h ALA 110 N 0.77 0.58 -0.00 5.00 0.00 -0.64 -1.33 119.26 123.63 1dwk h ALA 110 Ca 0.09 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1dwk h ALA 110 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1dwk h ALA 110 CO -0.24 0.16 -0.81 -0.07 0.00 0.00 0.00 179.25 178.29 1dwk h LEU 111 N 0.59 0.10 -0.50 0.00 3.38 -0.88 -1.38 115.31 116.63 1dwk h LEU 111 Ca 0.15 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1dwk h LEU 111 Cb 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1dwk h LEU 111 CO -0.02 0.86 -0.03 0.58 0.09 0.00 0.00 178.44 179.93 1dwk h VAL 112 N 0.05 1.27 -0.69 1.22 2.07 -0.61 -0.09 116.25 119.46 1dwk h VAL 112 Ca -0.02 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 1dwk h VAL 112 Cb 1.41 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1dwk h VAL 112 CO 0.11 0.39 0.19 0.45 0.02 0.00 0.00 177.57 178.73 1dwk h HIS 113 N 0.75 1.13 -0.31 1.57 3.86 -1.08 -0.17 115.15 120.91 1dwk h HIS 113 Ca 0.14 -0.13 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 1dwk h HIS 113 Cb 0.55 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1dwk h HIS 113 CO 0.04 0.92 -0.25 1.49 0.86 0.00 0.00 177.93 180.99 1dwk h GLU 114 N 1.02 0.72 0.01 2.45 4.81 -1.06 -1.84 114.58 120.68 1dwk h GLU 114 Ca 0.22 -0.36 -0.21 0.00 -0.13 0.00 0.00 59.36 58.88 1dwk h GLU 114 Cb 0.34 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1dwk h GLU 114 CO -0.00 0.97 -1.00 0.87 -0.73 0.00 0.00 179.01 179.12 1dwk h LYS 115 N 0.48 0.01 0.00 1.92 1.57 -0.90 -3.41 116.57 116.24 1dwk h LYS 115 Ca 0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1dwk h LYS 115 Cb 0.81 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1dwk h LYS 115 CO 0.07 1.00 -0.78 1.19 -0.57 0.00 0.00 179.45 180.35 1dwk n PHE 116 N -3.37 0.00 0.00 -1.35 3.01 -0.10 -5.09 117.46 110.55 1dwk n PHE 116 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1dwk n PHE 116 Cb 0.93 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 40.34 1dwk n PHE 116 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dwk n GLY 117 N 3.02 0.98 3.75 1.37 0.00 -0.69 -5.02 105.19 108.60 1dwk n GLY 117 Ca -0.03 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 1dwk n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dwk s ASP 118 N -4.00 5.21 0.00 1.61 -1.08 -1.26 -4.01 116.67 113.14 1dwk s ASP 118 Ca 0.00 2.43 0.00 0.00 -0.52 0.00 0.00 52.55 54.46 1dwk s ASP 118 Cb 0.00 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 1dwk s ASP 118 CO 0.00 -1.58 0.00 0.61 0.52 0.00 0.00 175.17 174.72 1dwk n GLY 119 N 0.55 0.49 3.16 2.66 0.00 -1.26 -1.54 105.19 109.25 1dwk n GLY 119 Ca 0.13 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1dwk n GLY 119 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dwk s ILE 120 N -1.85 0.53 -0.25 -0.61 -4.36 -0.30 -4.88 121.20 109.48 1dwk s ILE 120 Ca 0.00 -1.91 -0.16 0.00 -0.26 0.00 0.00 60.65 58.33 1dwk s ILE 120 Cb 0.00 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 1dwk s ILE 120 CO 0.00 -0.83 0.40 -0.63 0.24 0.00 0.00 174.94 174.12 1dwk s ILE 121 N -3.73 5.17 0.45 8.37 -1.09 -1.26 -0.80 121.20 128.30 1dwk s ILE 121 Ca 0.13 0.66 -0.24 0.00 -2.23 0.00 0.00 60.65 58.97 1dwk s ILE 121 Cb 0.06 -3.73 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 1dwk s ILE 121 CO -0.05 0.18 1.30 -0.55 -1.23 0.00 0.00 174.94 174.59 1dwk s SER 122 N 1.43 6.00 -0.08 3.58 0.15 0.37 -4.92 113.70 120.22 1dwk s SER 122 Ca 0.17 2.63 0.20 0.00 0.70 0.00 0.00 55.95 59.65 1dwk s SER 122 Cb -0.15 -2.63 0.71 0.00 -1.71 0.00 0.00 66.02 62.23 1dwk s SER 122 CO 0.09 -1.06 1.61 0.00 1.20 0.00 0.00 173.24 175.08 1dwk n ALA 123 N -0.30 2.90 -0.01 5.45 0.00 -1.26 -4.40 120.51 122.89 1dwk n ALA 123 Ca 0.06 -1.51 -0.04 0.00 0.00 0.00 0.00 53.44 51.96 1dwk n ALA 123 Cb 0.45 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 1dwk n ALA 123 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1dwk n ILE 124 N 1.31 0.36 -2.72 0.00 2.08 -1.26 -4.70 119.36 114.43 1dwk n ILE 124 Ca 0.26 0.01 -0.43 0.00 0.56 0.00 0.00 62.75 63.15 1dwk n ILE 124 Cb 0.82 -1.57 -0.01 0.00 -0.75 0.00 0.00 39.64 38.13 1dwk n ILE 124 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1dwk s ASN 125 N -5.43 6.85 -0.27 4.38 3.84 -1.26 -4.86 114.94 118.18 1dwk s ASN 125 Ca -0.05 -2.45 -0.22 0.00 0.21 0.00 0.00 52.86 50.34 1dwk s ASN 125 Cb 0.02 -2.51 0.07 0.00 -0.55 0.00 0.00 41.25 38.28 1dwk s ASN 125 CO 0.06 -1.08 0.72 0.12 -2.79 0.00 0.00 177.10 174.14 1dwk s PHE 126 N 3.40 -0.86 0.05 0.43 5.36 -1.26 -1.14 117.98 123.96 1dwk s PHE 126 Ca 0.48 1.96 0.02 0.00 -0.96 0.00 0.00 56.93 58.43 1dwk s PHE 126 Cb 0.01 0.37 -0.03 0.00 -0.34 0.00 0.00 43.02 43.03 1dwk s PHE 126 CO 0.02 -0.42 -0.07 -1.59 -1.46 0.00 0.00 175.22 171.70 1dwk s LYS 127 N 0.73 0.58 0.06 10.12 -2.85 -0.19 -5.00 119.74 123.18 1dwk s LYS 127 Ca -0.03 -0.89 0.03 0.00 -1.00 0.00 0.00 55.97 54.09 1dwk s LYS 127 Cb -0.05 -0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.48 1dwk s LYS 127 CO -0.05 0.02 -0.10 -1.17 0.10 0.00 0.00 175.35 174.15 1dwk s LEU 128 N -1.94 2.29 0.02 2.77 0.20 -1.26 -1.14 118.68 119.62 1dwk s LEU 128 Ca -0.05 -0.62 -0.13 0.00 0.69 0.00 0.00 54.13 54.02 1dwk s LEU 128 Cb -0.06 -0.26 0.02 0.00 -0.43 0.00 0.00 46.19 45.45 1dwk s LEU 128 CO -0.01 -0.19 0.27 1.51 -0.29 0.00 0.00 176.35 177.64 1dwk s ASP 129 N -1.79 -0.10 -0.13 3.68 -4.77 -0.97 -4.74 116.67 107.86 1dwk s ASP 129 Ca -0.05 -0.15 0.02 0.00 -3.30 0.00 0.00 52.55 49.07 1dwk s ASP 129 Cb -0.08 0.32 0.00 0.00 -1.09 0.00 0.00 42.92 42.07 1dwk s ASP 129 CO 0.01 -0.54 -0.20 -0.69 0.70 0.00 0.00 175.17 174.44 1dwk s VAL 130 N -2.13 2.32 -0.01 2.11 1.01 -1.26 -1.36 120.40 121.07 1dwk s VAL 130 Ca -0.08 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.06 1dwk s VAL 130 Cb -0.03 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1dwk s VAL 130 CO -0.01 0.54 -0.23 -0.54 0.00 0.00 0.00 175.10 174.86 1dwk s LYS 131 N 0.58 1.82 -0.21 2.72 -0.14 -0.50 -4.99 119.74 119.02 1dwk s LYS 131 Ca -0.12 -0.84 -0.12 0.00 -1.36 0.00 0.00 55.97 53.53 1dwk s LYS 131 Cb -0.16 -1.78 -0.05 0.00 -1.68 0.00 0.00 37.83 34.16 1dwk s LYS 131 CO 0.04 0.49 0.23 0.21 -0.76 0.00 0.00 175.35 175.55 1dwk s LYS 132 N -0.62 4.16 0.18 1.68 2.20 -1.26 -1.06 119.74 125.01 1dwk s LYS 132 Ca 0.09 -0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 1dwk s LYS 132 Cb -0.09 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1dwk s LYS 132 CO -0.01 0.13 -0.02 0.14 -0.36 0.00 0.00 175.35 175.23 1dwk s VAL 133 N 0.83 0.89 0.59 4.02 -7.23 -0.41 -4.99 120.40 114.11 1dwk s VAL 133 Ca 0.12 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 58.10 1dwk s VAL 133 Cb -0.13 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 1dwk s VAL 133 CO 0.04 -0.50 1.15 0.00 -0.31 0.00 0.00 175.10 175.47 1dwk s ALA 134 N -3.51 2.58 -0.08 1.32 0.00 -1.26 -0.16 121.76 120.65 1dwk s ALA 134 Ca 0.23 0.80 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 1dwk s ALA 134 Cb 0.05 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1dwk s ALA 134 CO 0.04 -1.03 0.54 0.34 0.00 0.00 0.00 175.76 175.65 1dwk s ASP 135 N -1.94 6.81 0.57 0.00 -1.08 -0.13 -4.62 116.67 116.28 1dwk s ASP 135 Ca 0.72 0.96 0.26 0.00 -0.52 0.00 0.00 52.55 53.97 1dwk s ASP 135 Cb -0.25 -2.32 1.62 0.00 -1.46 0.00 0.00 42.92 40.51 1dwk s ASP 135 CO 0.33 0.01 2.18 -0.65 0.52 0.00 0.00 175.17 177.56 1dwk h PRO 136 N 6.41 0.00 -0.10 4.34 0.11 -1.95 -0.46 132.00 140.35 1dwk h PRO 136 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1dwk h PRO 136 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1dwk h PRO 136 CO 0.74 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.92 1dwk n GLU 137 N -4.04 1.60 0.00 1.05 -0.58 -1.26 -5.02 120.64 112.38 1dwk n GLU 137 Ca -0.01 -0.90 0.00 0.00 -0.42 0.00 0.00 57.16 55.83 1dwk n GLU 137 Cb 0.16 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1dwk n GLU 137 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dwk n GLY 138 N 1.10 3.26 4.28 0.62 0.00 -0.18 -5.13 105.19 109.16 1dwk n GLY 138 Ca 0.17 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1dwk n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dwk n GLY 139 N 0.05 -1.66 3.09 -0.02 0.00 -1.26 -4.53 105.19 100.86 1dwk n GLY 139 Ca 0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1dwk n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dwk s GLU 140 N 0.00 0.61 0.08 1.61 2.02 -1.26 -0.95 118.70 120.81 1dwk s GLU 140 Ca 0.00 -0.92 0.05 0.00 0.02 0.00 0.00 54.97 54.12 1dwk s GLU 140 Cb 0.00 -0.26 -0.03 0.00 0.10 0.00 0.00 34.13 33.94 1dwk s GLU 140 CO 0.00 0.03 -0.15 1.03 0.02 0.00 0.00 175.26 176.19 1dwk s ARG 141 N -2.22 0.86 -0.14 1.61 0.52 0.77 -4.71 118.95 115.65 1dwk s ARG 141 Ca -0.04 -1.00 -0.11 0.00 -0.52 0.00 0.00 55.73 54.06 1dwk s ARG 141 Cb -0.06 -0.88 -0.05 0.00 0.52 0.00 0.00 34.95 34.49 1dwk s ARG 141 CO -0.01 0.19 0.23 0.00 0.02 0.00 0.00 175.30 175.73 1dwk s ALA 142 N -1.36 3.71 -0.39 2.13 0.00 -1.26 -1.29 121.76 123.30 1dwk s ALA 142 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1dwk s ALA 142 Cb -0.09 -2.22 0.11 0.00 0.00 0.00 0.00 23.12 20.91 1dwk s ALA 142 CO 0.02 0.30 0.16 0.08 0.00 0.00 0.00 175.76 176.33 1dwk s VAL 143 N -0.17 3.08 -0.24 0.00 1.01 -0.23 -4.97 120.40 118.88 1dwk s VAL 143 Ca 0.15 -2.08 -0.09 0.00 0.00 0.00 0.00 61.98 59.96 1dwk s VAL 143 Cb -0.13 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1dwk s VAL 143 CO 0.04 -0.64 0.11 -0.63 0.00 0.00 0.00 175.10 173.98 1dwk s ILE 144 N 1.10 4.82 -0.27 2.22 1.01 -1.26 -1.41 121.20 127.41 1dwk s ILE 144 Ca 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 1dwk s ILE 144 Cb -0.22 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1dwk s ILE 144 CO -0.05 0.34 0.04 -0.89 0.00 0.00 0.00 174.94 174.39 1dwk s THR 145 N 1.32 3.83 -0.28 2.92 2.01 -0.47 -4.97 115.64 120.00 1dwk s THR 145 Ca 0.06 -0.60 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 1dwk s THR 145 Cb -0.15 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 1dwk s THR 145 CO 0.05 0.20 0.21 -0.76 -0.69 0.00 0.00 174.62 173.63 1dwk s LEU 146 N 1.50 4.03 -0.32 4.42 1.43 -1.26 -2.29 118.68 126.19 1dwk s LEU 146 Ca 0.04 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1dwk s LEU 146 Cb -0.16 -2.16 0.10 0.00 0.03 0.00 0.00 46.19 44.00 1dwk s LEU 146 CO 0.01 -0.06 0.09 -0.62 0.23 0.00 0.00 176.35 176.00 1dwk s ASP 147 N 1.69 4.18 0.03 2.29 2.15 -0.29 -5.01 116.67 121.72 1dwk s ASP 147 Ca 0.08 -1.75 0.06 0.00 0.43 0.00 0.00 52.55 51.37 1dwk s ASP 147 Cb -0.16 -1.02 -0.02 0.00 -0.30 0.00 0.00 42.92 41.42 1dwk s ASP 147 CO 0.10 -0.41 -0.17 -0.83 -0.17 0.00 0.00 175.17 173.70 1dwk s GLY 148 N 1.46 0.92 0.33 2.66 0.00 -1.26 -1.02 107.32 110.41 1dwk s GLY 148 Ca 0.10 -0.90 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 1dwk s GLY 148 CO -0.22 -0.84 1.25 1.25 0.00 0.00 0.00 173.10 174.54 1dwk s LYS 149 N -1.06 4.39 -0.13 2.90 2.47 -0.30 -4.64 119.74 123.38 1dwk s LYS 149 Ca 0.05 2.09 -0.29 0.00 -1.56 0.00 0.00 55.97 56.25 1dwk s LYS 149 Cb -0.08 -3.06 -0.01 0.00 -1.46 0.00 0.00 37.83 33.22 1dwk s LYS 149 CO 0.01 -0.11 1.14 -0.47 0.16 0.00 0.00 175.35 176.08 1dwk s TYR 150 N -1.17 3.20 -0.22 4.03 5.04 -1.26 -0.48 117.35 126.49 1dwk s TYR 150 Ca 0.49 1.30 -0.02 0.00 -2.44 0.00 0.00 57.07 56.39 1dwk s TYR 150 Cb -0.37 -3.36 0.01 0.00 0.35 0.00 0.00 41.96 38.59 1dwk s TYR 150 CO 0.49 -1.00 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.10 1dwk s LEU 151 N 2.70 2.81 0.47 6.97 1.43 0.02 -4.98 118.68 128.11 1dwk s LEU 151 Ca 0.51 -0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 52.83 1dwk s LEU 151 Cb -0.20 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.26 1dwk s LEU 151 CO 0.16 -0.05 1.00 -2.16 0.23 0.00 0.00 176.35 175.54 1dwk s PRO 152 N 1.40 3.94 -0.27 1.29 0.04 -1.26 -1.15 135.00 138.98 1dwk s PRO 152 Ca 0.04 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 1dwk s PRO 152 Cb -0.15 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1dwk s PRO 152 CO -0.06 -0.30 0.11 0.99 0.04 0.00 0.00 177.00 177.79 1dwk s THR 153 N -2.12 4.57 0.13 1.26 2.01 -0.59 -4.82 115.64 116.08 1dwk s THR 153 Ca 0.65 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.51 1dwk s THR 153 Cb -0.13 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1dwk s THR 153 CO 0.19 0.25 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.72 1dwk s LYS 154 N 1.64 1.02 0.86 4.92 1.02 -1.26 -4.58 119.74 123.36 1dwk s LYS 154 Ca 0.06 -1.36 -0.10 0.00 0.02 0.00 0.00 55.97 54.58 1dwk s LYS 154 Cb -0.16 -0.66 0.11 0.00 -0.52 0.00 0.00 37.83 36.60 1dwk s LYS 154 CO 0.06 0.09 1.13 -2.14 -0.92 0.00 0.00 175.35 173.57 1dwk s PRO 155 N -3.38 1.47 0.00 -1.68 0.02 -1.26 -5.20 135.00 124.97 1dwk s PRO 155 Ca 0.13 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.58 1dwk s PRO 155 Cb 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.73 1dwk s PRO 155 CO 0.01 -2.28 0.06 1.97 -0.33 0.00 0.00 177.00 176.43