#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 0.46 0.04 9.51 -1.52 -1.26 -5.08 119.66 121.81 1dwk s GLN 3 Ca 0.00 -0.21 0.03 0.00 -1.95 0.00 0.00 55.36 53.22 1dwk s GLN 3 Cb 0.00 -0.44 -0.02 0.00 -0.22 0.00 0.00 33.01 32.33 1dwk s GLN 3 CO 0.00 0.12 -0.09 -1.54 -0.25 0.00 0.00 175.29 173.53 1dwk s SER 4 N -0.16 1.02 0.24 5.90 1.04 -1.26 -0.59 113.70 119.87 1dwk s SER 4 Ca 0.02 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 1dwk s SER 4 Cb -0.02 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1dwk s SER 4 CO -0.00 -0.16 0.45 -1.10 0.98 0.00 0.00 173.24 173.40 1dwk s GLN 5 N -1.52 3.55 0.00 4.02 -1.52 0.25 -4.87 119.66 119.57 1dwk s GLN 5 Ca -0.08 -0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.08 1dwk s GLN 5 Cb -0.10 -2.77 0.00 0.00 -0.22 0.00 0.00 33.01 29.92 1dwk s GLN 5 CO 0.01 0.33 0.22 0.44 -0.25 0.00 0.00 175.29 176.04 1dwk n ILE 6 N -0.83 0.00 -3.93 1.08 -5.35 -1.26 -3.96 119.36 105.11 1dwk n ILE 6 Ca -0.04 -0.37 -0.29 0.00 -0.27 0.00 0.00 62.75 61.78 1dwk n ILE 6 Cb 0.54 1.15 -0.16 0.00 -1.74 0.00 0.00 39.64 39.43 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 -0.30 3.05 0.57 7.28 2.47 -1.26 -4.95 114.94 121.79 1dwk s ASN 7 Ca 0.00 -0.75 0.32 0.00 0.42 0.00 0.00 52.86 52.85 1dwk s ASN 7 Cb 0.00 -1.03 1.69 0.00 -1.45 0.00 0.00 41.25 40.47 1dwk s ASN 7 CO 0.00 -0.17 2.15 0.08 -3.72 0.00 0.00 177.10 175.43 1dwk h ARG 8 N 8.07 0.00 -0.30 0.43 0.11 -1.94 -3.01 114.38 117.73 1dwk h ARG 8 Ca -0.25 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.87 1dwk h ARG 8 Cb 1.11 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.17 1dwk h ARG 8 CO 0.43 0.06 0.20 -0.91 0.10 0.00 0.00 179.97 179.85 1dwk h ASN 9 N 0.00 0.18 -0.06 0.08 2.35 -1.95 -0.98 115.58 115.21 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 0.25 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1dwk h ASN 9 CO 0.01 0.13 0.03 0.40 -1.65 0.00 0.00 177.43 176.34 1dwk h ILE 10 N 0.21 1.12 0.00 2.81 1.08 -1.97 0.18 117.51 120.95 1dwk h ILE 10 Ca 0.13 -0.36 -0.12 0.00 -0.39 0.00 0.00 64.86 64.12 1dwk h ILE 10 Cb 0.25 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 1dwk h ILE 10 CO -0.02 0.10 -0.57 0.03 -0.69 0.00 0.00 178.15 177.00 1dwk h ARG 11 N -0.04 0.00 -0.17 2.37 2.47 -1.71 -2.38 114.38 114.91 1dwk h ARG 11 Ca 0.02 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.60 1dwk h ARG 11 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1dwk h ARG 11 CO -0.00 0.57 -0.50 -0.07 0.56 0.00 0.00 179.97 180.52 1dwk h LEU 12 N 0.00 0.52 -0.68 3.04 3.38 -1.03 -0.93 115.31 119.61 1dwk h LEU 12 Ca -0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1dwk h LEU 12 Cb 1.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1dwk h LEU 12 CO 0.07 0.93 0.28 0.44 0.09 0.00 0.00 178.44 180.26 1dwk h ASP 13 N 0.38 0.92 -0.71 -0.43 3.32 -0.87 -1.83 116.42 117.20 1dwk h ASP 13 Ca 0.02 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1dwk h ASP 13 Cb 1.01 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1dwk h ASP 13 CO 0.09 0.83 0.33 0.25 -1.72 0.00 0.00 179.24 179.03 1dwk h LEU 14 N 0.95 0.94 -0.91 1.55 5.85 -1.29 -1.89 115.31 120.52 1dwk h LEU 14 Ca 0.23 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1dwk h LEU 14 Cb 0.19 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1dwk h LEU 14 CO -0.02 0.82 0.59 0.00 -0.34 0.00 0.00 178.44 179.49 1dwk h ALA 15 N 1.16 1.21 -0.79 1.25 0.00 -0.73 0.76 119.26 122.12 1dwk h ALA 15 Ca 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1dwk h ALA 15 Cb 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1dwk h ALA 15 CO -0.03 0.43 0.39 -0.44 0.00 0.00 0.00 179.25 179.61 1dwk h ASP 16 N 1.13 1.02 -0.35 0.00 3.32 -0.69 0.25 116.42 121.09 1dwk h ASP 16 Ca 0.37 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 1dwk h ASP 16 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1dwk h ASP 16 CO -0.13 0.85 -0.19 0.00 -1.72 0.00 0.00 179.24 178.06 1dwk h ALA 17 N 1.31 0.86 -0.48 3.45 0.00 -0.60 -1.45 119.26 122.34 1dwk h ALA 17 Ca 0.27 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1dwk h ALA 17 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1dwk h ALA 17 CO -0.04 0.64 0.20 0.82 0.00 0.00 0.00 179.25 180.87 1dwk h ILE 18 N 0.73 1.21 -0.21 0.00 2.04 -0.43 -1.60 117.51 119.24 1dwk h ILE 18 Ca 0.11 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.24 1dwk h ILE 18 Cb 0.71 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1dwk h ILE 18 CO 0.05 0.24 -0.24 -0.07 0.00 0.00 0.00 178.15 178.14 1dwk h LEU 19 N 0.64 0.39 -0.31 1.44 3.38 -0.65 0.14 115.31 120.34 1dwk h LEU 19 Ca 0.16 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1dwk h LEU 19 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1dwk h LEU 19 CO -0.01 0.63 -0.00 0.25 0.09 0.00 0.00 178.44 179.40 1dwk h LEU 20 N 0.35 0.54 -0.36 1.67 5.85 -0.85 -1.46 115.31 121.06 1dwk h LEU 20 Ca 0.06 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1dwk h LEU 20 Cb 0.61 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1dwk h LEU 20 CO 0.04 0.72 0.22 -1.28 -0.34 0.00 0.00 178.44 177.80 1dwk h SER 21 N 0.35 0.43 -0.59 1.25 0.87 -0.93 -0.77 113.55 114.15 1dwk h SER 21 Ca 0.09 -0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.70 1dwk h SER 21 Cb 0.44 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 62.22 1dwk h SER 21 CO 0.02 0.35 0.17 0.50 -0.53 0.00 0.00 176.83 177.34 1dwk h LYS 22 N 0.47 0.31 -0.35 2.24 3.64 -0.69 -0.85 116.57 121.34 1dwk h LYS 22 Ca 0.13 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.34 1dwk h LYS 22 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1dwk h LYS 22 CO -0.02 0.20 -0.37 0.00 -2.27 0.00 0.00 179.45 176.99 1dwk h ALA 23 N 1.44 0.68 -0.93 5.00 0.00 -0.77 -1.06 119.26 123.62 1dwk h ALA 23 Ca 0.30 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1dwk h ALA 23 Cb 0.41 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1dwk h ALA 23 CO -0.35 0.67 0.59 0.87 0.00 0.00 0.00 179.25 181.03 1dwk h LYS 24 N 0.68 1.24 -0.00 0.00 1.57 -0.65 -1.62 116.57 117.79 1dwk h LYS 24 Ca 0.06 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1dwk h LYS 24 Cb 0.93 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1dwk h LYS 24 CO 0.09 0.84 -0.05 1.63 -0.57 0.00 0.00 179.45 181.39 1dwk n LYS 25 N -4.38 0.81 -3.88 3.15 5.02 -0.37 -4.96 118.16 113.55 1dwk n LYS 25 Ca 0.11 -0.20 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 1dwk n LYS 25 Cb 0.04 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 -0.92 -1.41 -4.90 4.39 2.03 -0.49 -4.98 116.55 110.27 1dwk n ASP 26 Ca 0.17 -1.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.17 1dwk n ASP 26 Cb 0.24 -3.17 -0.04 0.00 -0.72 0.00 0.00 41.12 37.43 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 -6.86 4.28 0.32 -2.67 1.02 -0.71 -5.04 118.68 109.03 1dwk s LEU 27 Ca 0.10 0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.48 1dwk s LEU 27 Cb -0.04 -2.89 -0.04 0.00 0.02 0.00 0.00 46.19 43.24 1dwk s LEU 27 CO 0.88 0.17 0.52 -0.94 0.02 0.00 0.00 176.35 177.00 1dwk s SER 28 N -2.51 6.32 0.31 2.29 1.04 -1.26 -4.82 113.70 115.06 1dwk s SER 28 Ca 0.34 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1dwk s SER 28 Cb -0.13 -2.03 0.49 0.00 0.10 0.00 0.00 66.02 64.45 1dwk s SER 28 CO 0.27 -0.24 1.89 -0.26 0.98 0.00 0.00 173.24 175.88 1dwk h PHE 29 N 1.00 0.82 -0.39 5.02 0.04 -1.99 -2.19 116.94 119.25 1dwk h PHE 29 Ca -0.49 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.25 1dwk h PHE 29 Cb 1.21 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 1dwk h PHE 29 CO 0.52 0.64 0.24 0.00 -0.60 0.00 0.00 178.31 179.10 1dwk h ALA 30 N 1.44 0.49 0.00 2.45 0.00 -1.95 -1.73 119.26 119.96 1dwk h ALA 30 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1dwk h ALA 30 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dwk h ALA 30 CO -0.02 -0.09 -0.50 1.05 0.00 0.00 0.00 179.25 179.69 1dwk h GLU 31 N 0.48 0.00 -0.51 0.00 4.11 -1.90 -1.00 114.58 115.77 1dwk h GLU 31 Ca 0.15 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.46 1dwk h GLU 31 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1dwk h GLU 31 CO -0.06 0.50 -0.14 0.82 0.07 0.00 0.00 179.01 180.19 1dwk h ILE 32 N 0.00 1.27 0.00 -1.06 2.04 -1.23 -3.12 117.51 115.41 1dwk h ILE 32 Ca -0.00 -1.29 -0.18 0.00 1.00 0.00 0.00 64.86 64.38 1dwk h ILE 32 Cb 1.11 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1dwk h ILE 32 CO 0.06 0.45 -0.84 0.00 0.00 0.00 0.00 178.15 177.83 1dwk h ALA 33 N 0.96 0.61 -2.60 1.87 0.00 -1.19 -3.44 119.26 115.47 1dwk h ALA 33 Ca 0.13 -0.73 -0.53 0.00 0.00 0.00 0.00 54.91 53.77 1dwk h ALA 33 Cb 0.70 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 18.44 1dwk h ALA 33 CO 0.05 0.98 0.96 -3.47 0.00 0.00 0.00 179.25 177.77 1dwk n ASP 34 N -3.61 3.81 0.00 0.00 2.03 -0.39 -1.45 116.55 116.95 1dwk n ASP 34 Ca -0.02 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.37 1dwk n ASP 34 Cb 0.79 -1.55 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 3.63 1.65 0.14 0.27 0.00 -1.26 -4.91 105.19 104.72 1dwk n GLY 35 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1dwk n GLY 35 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1dwk h THR 36 N 0.00 0.00 0.00 2.61 1.35 -1.54 -3.47 112.91 111.85 1dwk h THR 36 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1dwk h THR 36 Cb 0.00 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1dwk h THR 36 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1dwk n GLY 37 N 1.22 1.45 3.52 5.82 0.00 -1.26 -4.91 105.19 111.03 1dwk n GLY 37 Ca 0.04 0.00 -0.32 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 0.00 2.89 0.54 0.99 1.43 -1.26 -5.11 118.68 118.16 1dwk s LEU 38 Ca 0.00 -0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 52.63 1dwk s LEU 38 Cb 0.00 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 1dwk s LEU 38 CO 0.00 0.29 1.34 0.00 0.23 0.00 0.00 176.35 178.20 1dwk s ALA 39 N -0.92 2.83 0.26 4.21 0.00 -1.26 -4.79 121.76 122.10 1dwk s ALA 39 Ca 0.15 1.29 -0.02 0.00 0.00 0.00 0.00 51.96 53.38 1dwk s ALA 39 Cb -0.11 -3.55 0.44 0.00 0.00 0.00 0.00 23.12 19.91 1dwk s ALA 39 CO 0.05 -1.29 1.84 1.05 0.00 0.00 0.00 175.76 177.41 1dwk h GLU 40 N 1.52 0.93 -0.16 0.00 4.11 -1.92 -1.10 114.58 117.95 1dwk h GLU 40 Ca -0.51 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 58.83 1dwk h GLU 40 Cb 1.29 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1dwk h GLU 40 CO 0.58 0.61 -0.09 0.00 0.07 0.00 0.00 179.01 180.18 1dwk h ALA 41 N 1.48 1.55 0.01 1.06 0.00 -1.91 -0.52 119.26 120.92 1dwk h ALA 41 Ca 0.43 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 1dwk h ALA 41 Cb 0.34 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1dwk h ALA 41 CO -0.23 0.32 -0.47 0.35 0.00 0.00 0.00 179.25 179.23 1dwk h PHE 42 N 0.24 0.45 -0.58 0.00 3.57 -1.61 -2.03 116.94 116.98 1dwk h PHE 42 Ca 0.05 -0.25 -0.08 0.00 3.53 0.00 0.00 57.97 61.22 1dwk h PHE 42 Cb 0.32 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1dwk h PHE 42 CO 0.01 1.08 0.06 0.28 -2.23 0.00 0.00 178.31 177.51 1dwk h VAL 43 N -0.31 1.26 -0.45 1.41 2.07 -1.12 -0.80 116.25 118.31 1dwk h VAL 43 Ca -0.06 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1dwk h VAL 43 Cb 1.22 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1dwk h VAL 43 CO 0.09 0.38 0.19 0.74 0.02 0.00 0.00 177.57 178.99 1dwk h THR 44 N 0.87 1.20 -0.90 2.57 2.02 -1.17 -0.46 112.91 117.04 1dwk h THR 44 Ca 0.17 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1dwk h THR 44 Cb 0.46 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 1dwk h THR 44 CO 0.02 0.22 0.58 0.00 0.37 0.00 0.00 175.52 176.71 1dwk h ALA 45 N 1.04 1.19 -0.41 6.16 0.00 -1.08 -1.32 119.26 124.84 1dwk h ALA 45 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1dwk h ALA 45 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1dwk h ALA 45 CO -0.01 0.41 0.13 0.00 0.00 0.00 0.00 179.25 179.78 1dwk h ALA 46 N 1.38 0.54 -0.93 0.00 0.00 -0.53 0.14 119.26 119.86 1dwk h ALA 46 Ca 0.36 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1dwk h ALA 46 Cb 0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 1dwk h ALA 46 CO -0.13 0.18 0.60 -0.07 0.00 0.00 0.00 179.25 179.83 1dwk h LEU 47 N 0.52 0.78 -0.97 0.00 3.38 -0.35 -1.20 115.31 117.47 1dwk h LEU 47 Ca 0.13 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1dwk h LEU 47 Cb 0.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1dwk h LEU 47 CO -0.01 0.41 0.00 0.18 0.09 0.00 0.00 178.44 179.11 1dwk n LEU 48 N -4.58 1.42 0.00 1.67 4.77 -0.57 -4.19 117.00 115.53 1dwk n LEU 48 Ca 0.18 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1dwk n LEU 48 Cb 0.41 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1dwk n LEU 48 CO 0.29 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1dwk n GLY 49 N 0.98 0.87 0.16 -0.72 0.00 -0.45 -4.81 105.19 101.21 1dwk n GLY 49 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.23 0.10 -4.06 1.61 1.13 0.41 -4.72 117.38 109.61 1dwk n GLN 50 Ca 0.00 -0.70 -0.10 0.00 -1.94 0.00 0.00 57.00 54.26 1dwk n GLN 50 Cb 0.00 -1.05 -0.08 0.00 0.11 0.00 0.00 30.24 29.22 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 -0.44 1.12 -0.12 -1.09 -1.52 -1.21 -4.83 119.66 111.57 1dwk s GLN 51 Ca 0.05 -1.33 -0.04 0.00 -1.95 0.00 0.00 55.36 52.08 1dwk s GLN 51 Cb 0.04 0.33 -0.04 0.00 -0.22 0.00 0.00 33.01 33.12 1dwk s GLN 51 CO 0.06 -0.38 0.03 0.00 -0.25 0.00 0.00 175.29 174.75 1dwk s ALA 52 N -4.03 3.36 0.07 6.09 0.00 -1.26 -4.34 121.76 121.65 1dwk s ALA 52 Ca 0.23 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 51.20 1dwk s ALA 52 Cb 0.05 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 1dwk s ALA 52 CO 0.03 0.46 0.64 -0.51 0.00 0.00 0.00 175.76 176.38 1dwk s LEU 53 N -0.48 4.50 0.89 0.00 1.43 -0.09 -4.98 118.68 119.96 1dwk s LEU 53 Ca 0.09 1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 54.39 1dwk s LEU 53 Cb -0.12 -3.03 -0.00 0.00 0.03 0.00 0.00 46.19 43.07 1dwk s LEU 53 CO 0.02 0.18 0.34 -2.65 0.23 0.00 0.00 176.35 174.47 1dwk n PRO 54 N 2.09 -0.10 -0.11 1.29 -0.02 -1.26 -4.12 135.00 132.76 1dwk n PRO 54 Ca -0.07 0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.35 1dwk n PRO 54 Cb 0.50 -1.77 0.02 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.18 0.46 -0.55 3.55 0.00 -1.97 -0.60 119.26 118.98 1dwk h ALA 55 Ca -0.44 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1dwk h ALA 55 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1dwk h ALA 55 CO 0.36 -0.20 0.10 -0.44 0.00 0.00 0.00 179.25 179.06 1dwk h ASP 56 N 0.35 0.82 -0.40 0.00 3.32 -1.99 -0.43 116.42 118.09 1dwk h ASP 56 Ca 0.17 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1dwk h ASP 56 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1dwk h ASP 56 CO -0.13 0.83 -0.05 0.00 -1.72 0.00 0.00 179.24 178.17 1dwk h ALA 57 N 1.27 0.55 -0.59 3.45 0.00 -1.76 -1.04 119.26 121.15 1dwk h ALA 57 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1dwk h ALA 57 Cb 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1dwk h ALA 57 CO 0.01 0.38 0.31 0.00 0.00 0.00 0.00 179.25 179.94 1dwk h ALA 58 N 0.87 0.76 -0.54 0.00 0.00 -0.83 0.37 119.26 119.88 1dwk h ALA 58 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dwk h ALA 58 Cb 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1dwk h ALA 58 CO 0.03 0.29 0.33 0.00 0.00 0.00 0.00 179.25 179.90 1dwk h ARG 59 N 0.80 0.73 0.23 0.00 3.08 -0.84 0.49 114.38 118.87 1dwk h ARG 59 Ca 0.21 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1dwk h ARG 59 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1dwk h ARG 59 CO -0.03 0.53 -0.17 1.25 -1.07 0.00 0.00 179.97 180.47 1dwk h LEU 60 N 0.72 -0.45 -1.01 3.04 5.85 -0.73 -1.11 115.31 121.63 1dwk h LEU 60 Ca 0.19 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 1dwk h LEU 60 Cb -0.02 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1dwk h LEU 60 CO -0.04 -0.27 -0.41 -0.37 -0.34 0.00 0.00 178.44 177.01 1dwk h VAL 61 N -0.41 1.31 -0.61 1.05 -1.51 -0.93 -2.03 116.25 113.12 1dwk h VAL 61 Ca -0.01 -1.49 -0.01 0.00 -1.23 0.00 0.00 66.70 63.96 1dwk h VAL 61 Cb 0.36 1.70 -0.03 0.00 -2.13 0.00 0.00 31.29 31.20 1dwk h VAL 61 CO -0.01 0.44 0.35 1.23 -1.23 0.00 0.00 177.57 178.35 1dwk h GLY 62 N 1.23 0.91 1.25 5.19 0.00 -0.76 -1.13 103.07 109.76 1dwk h GLY 62 Ca 0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1dwk h GLY 62 CO 0.06 0.39 -0.21 0.00 0.00 0.00 0.00 176.54 176.77 1dwk h ALA 63 N 1.17 0.81 -0.52 3.60 0.00 -0.78 0.15 119.26 123.68 1dwk h ALA 63 Ca 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1dwk h ALA 63 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1dwk h ALA 63 CO -0.04 0.65 0.29 0.87 0.00 0.00 0.00 179.25 181.02 1dwk h LYS 64 N 0.75 0.72 -0.52 0.00 1.57 -1.00 -2.94 116.57 115.15 1dwk h LYS 64 Ca 0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1dwk h LYS 64 Cb 0.75 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1dwk h LYS 64 CO 0.06 0.53 0.00 1.28 -0.57 0.00 0.00 179.45 180.75 1dwk n LEU 65 N -4.40 3.47 -3.94 2.94 4.77 -0.46 -4.98 117.00 114.39 1dwk n LEU 65 Ca 0.05 -1.86 -0.27 0.00 -0.03 0.00 0.00 56.01 53.90 1dwk n LEU 65 Cb 0.10 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1dwk n LEU 65 CO 0.37 0.84 -0.11 0.47 -1.33 0.00 0.00 177.39 177.62 1dwk n ASP 66 N 1.24 -1.68 -4.86 -1.43 8.00 -0.35 -4.88 116.55 112.58 1dwk n ASP 66 Ca 0.19 -0.94 -0.31 0.00 0.71 0.00 0.00 54.79 54.44 1dwk n ASP 66 Cb 0.55 -3.33 -0.04 0.00 -0.02 0.00 0.00 41.12 38.27 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 -7.01 3.81 0.81 0.64 1.43 -0.10 -5.04 118.68 113.23 1dwk s LEU 67 Ca 0.23 1.29 -0.09 0.00 -1.03 0.00 0.00 54.13 54.53 1dwk s LEU 67 Cb -0.12 -4.18 0.13 0.00 0.03 0.00 0.00 46.19 42.05 1dwk s LEU 67 CO 0.87 -0.42 1.14 1.51 0.23 0.00 0.00 176.35 179.68 1dwk s ASP 68 N -2.96 4.04 0.31 2.29 1.47 -1.26 -4.81 116.67 115.74 1dwk s ASP 68 Ca 0.54 0.23 0.07 0.00 1.18 0.00 0.00 52.55 54.56 1dwk s ASP 68 Cb -0.10 -0.57 0.50 0.00 -0.34 0.00 0.00 42.92 42.41 1dwk s ASP 68 CO 0.28 -2.12 1.74 -0.33 0.68 0.00 0.00 175.17 175.43 1dwk h GLU 69 N -1.02 0.26 -0.35 2.11 4.39 -1.99 -1.04 114.58 116.94 1dwk h GLU 69 Ca -0.43 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.06 1dwk h GLU 69 Cb 1.28 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1dwk h GLU 69 CO 0.48 0.59 -0.20 -0.44 -1.16 0.00 0.00 179.01 178.27 1dwk h ASP 70 N 0.23 0.67 -0.34 1.42 5.19 -1.99 -1.37 116.42 120.22 1dwk h ASP 70 Ca 0.03 -0.22 -0.17 0.00 -0.62 0.00 0.00 57.03 56.04 1dwk h ASP 70 Cb 0.73 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 1dwk h ASP 70 CO 0.06 0.87 -0.45 0.28 -3.12 0.00 0.00 179.24 176.87 1dwk h SER 71 N 0.59 0.99 -0.52 6.45 0.02 -1.75 -0.58 113.55 118.75 1dwk h SER 71 Ca 0.09 -0.49 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1dwk h SER 71 Cb 0.67 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1dwk h SER 71 CO 0.05 1.29 0.13 0.40 -1.14 0.00 0.00 176.83 177.56 1dwk h ILE 72 N 0.73 1.23 -0.53 3.27 2.04 -1.02 -1.69 117.51 121.54 1dwk h ILE 72 Ca 0.04 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 64.94 1dwk h ILE 72 Cb 1.05 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1dwk h ILE 72 CO 0.11 0.32 -0.09 0.25 0.00 0.00 0.00 178.15 178.74 1dwk h LEU 73 N 0.85 0.98 -1.42 1.44 5.85 -1.08 -3.02 115.31 118.90 1dwk h LEU 73 Ca 0.18 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1dwk h LEU 73 Cb 0.31 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1dwk h LEU 73 CO -0.00 1.08 0.06 -0.07 -0.34 0.00 0.00 178.44 179.17 1dwk h LEU 74 N 0.88 0.40 -2.04 2.25 3.38 -0.65 -1.25 115.31 118.28 1dwk h LEU 74 Ca 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1dwk h LEU 74 Cb 0.64 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1dwk h LEU 74 CO 0.04 0.43 -0.07 -0.07 0.09 0.00 0.00 178.44 178.86 1dwk h LEU 75 N 0.44 0.00 -6.01 1.67 3.38 -1.19 -3.46 115.31 110.14 1dwk h LEU 75 Ca 0.10 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.34 1dwk h LEU 75 Cb 0.20 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 1dwk h LEU 75 CO -0.00 0.07 2.51 0.00 0.09 0.00 0.00 178.44 181.11 1dwk n GLN 76 N -3.39 3.74 -4.52 1.13 6.02 -0.48 -0.91 117.38 118.97 1dwk n GLN 76 Ca -0.01 -3.21 -0.33 0.00 -0.01 0.00 0.00 57.00 53.43 1dwk n GLN 76 Cb 0.22 -2.90 -0.15 0.00 1.02 0.00 0.00 30.24 28.43 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 0.67 2.68 0.61 5.09 -1.09 0.24 -4.68 121.20 124.72 1dwk s ILE 78 Ca 0.48 -0.76 -0.14 0.00 -2.23 0.00 0.00 60.65 57.99 1dwk s ILE 78 Cb 0.13 -2.13 -0.03 0.00 -1.58 0.00 0.00 42.46 38.85 1dwk s ILE 78 CO -0.04 0.51 1.04 -2.16 -1.23 0.00 0.00 174.94 173.06 1dwk s PRO 79 N 0.81 3.33 -0.68 2.79 0.04 -1.26 -0.58 135.00 139.46 1dwk s PRO 79 Ca -0.05 1.04 -0.24 0.00 0.04 0.00 0.00 61.00 61.79 1dwk s PRO 79 Cb -0.15 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1dwk s PRO 79 CO -0.00 -0.79 1.06 -1.17 0.04 0.00 0.00 177.00 176.14 1dwk s LEU 80 N -4.82 3.99 0.47 -3.56 1.98 -1.25 -4.75 118.68 110.75 1dwk s LEU 80 Ca 0.60 -0.79 -0.17 0.00 -2.89 0.00 0.00 54.13 50.88 1dwk s LEU 80 Cb -0.14 -2.48 -0.09 0.00 0.66 0.00 0.00 46.19 44.14 1dwk s LEU 80 CO 0.43 -1.56 0.94 -0.13 -1.89 0.00 0.00 176.35 174.15 1dwk s ARG 81 N 4.58 4.03 0.00 1.98 0.52 -1.26 -4.48 118.95 124.31 1dwk s ARG 81 Ca 0.26 0.95 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 1dwk s ARG 81 Cb -0.14 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.14 1dwk s ARG 81 CO 0.12 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1dwk n GLY 82 N -1.19 2.45 0.07 -3.53 0.00 -1.26 -5.06 105.19 96.67 1dwk n GLY 82 Ca 0.06 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.18 4.85 0.10 0.00 1.01 -1.26 -4.96 121.20 117.76 1dwk s ILE 84 Ca 0.06 1.80 -0.24 0.00 0.00 0.00 0.00 60.65 62.27 1dwk s ILE 84 Cb 0.13 -4.20 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 1dwk s ILE 84 CO 0.73 0.24 1.70 -0.78 0.00 0.00 0.00 174.94 176.83 1dwk h ASP 85 N 6.44 -0.29 -1.65 3.58 3.58 -1.90 -3.37 116.42 122.82 1dwk h ASP 85 Ca -0.42 0.03 -0.47 0.00 0.42 0.00 0.00 57.03 56.60 1dwk h ASP 85 Cb 1.21 0.11 -0.32 0.00 1.72 0.00 0.00 39.33 42.05 1dwk h ASP 85 CO 0.74 -0.16 -0.91 -0.67 -2.88 0.00 0.00 179.24 175.36 1dwk n ASP 86 N -5.23 -0.86 0.00 2.28 2.03 -1.26 -5.04 116.55 108.47 1dwk n ASP 86 Ca -0.07 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.50 1dwk n ASP 86 Cb 0.15 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 1.94 0.00 -4.25 -0.67 1.74 -1.26 -4.74 116.66 109.42 1dwk n ARG 87 Ca 0.21 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.95 1dwk n ARG 87 Cb 0.54 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.86 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 4.09 0.47 0.55 -1.09 -1.26 -5.02 121.20 118.94 1dwk s ILE 88 Ca 0.00 -0.28 -0.24 0.00 -2.23 0.00 0.00 60.65 57.90 1dwk s ILE 88 Cb 0.00 -2.82 -0.07 0.00 -1.58 0.00 0.00 42.46 37.99 1dwk s ILE 88 CO 0.00 0.47 1.31 -2.84 -1.23 0.00 0.00 174.94 172.65 1dwk s PRO 89 N 0.51 3.62 0.02 2.79 0.02 -1.26 -4.90 135.00 135.80 1dwk s PRO 89 Ca -0.01 2.15 0.19 0.00 0.02 0.00 0.00 61.00 63.34 1dwk s PRO 89 Cb -0.14 -2.51 -0.18 0.00 0.02 0.00 0.00 34.50 31.68 1dwk s PRO 89 CO 0.02 -0.77 0.65 0.25 -0.33 0.00 0.00 177.00 176.81 1dwk n THR 90 N -0.41 0.82 -2.39 0.99 -2.24 -1.26 -4.70 114.28 105.10 1dwk n THR 90 Ca 0.07 -0.65 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 1dwk n THR 90 Cb 0.45 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 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 -5.34 7.09 0.24 3.42 2.15 -1.26 -4.89 116.67 118.08 1dwk s ASP 91 Ca -0.05 2.18 -0.07 0.00 0.43 0.00 0.00 52.55 55.05 1dwk s ASP 91 Cb 0.10 -2.60 0.25 0.00 -0.30 0.00 0.00 42.92 40.37 1dwk s ASP 91 CO 0.84 -0.38 1.91 -0.65 -0.17 0.00 0.00 175.17 176.72 1dwk h PRO 92 N 5.55 1.23 -0.05 4.34 0.11 -2.05 0.22 132.00 141.35 1dwk h PRO 92 Ca -0.44 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1dwk h PRO 92 Cb 1.21 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1dwk h PRO 92 CO 0.76 0.82 0.00 2.41 -0.21 0.00 0.00 178.00 181.77 1dwk n THR 93 N -4.44 0.00 0.00 -1.15 -1.04 -1.26 -1.91 114.28 104.49 1dwk n THR 93 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1dwk n THR 93 Cb 0.03 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 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 0.09 0.00 0.01 -1.42 9.36 0.78 -4.23 117.16 121.75 1dwk n TYR 95 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 1dwk n TYR 95 Cb 0.01 0.00 0.43 0.00 -0.63 0.00 0.00 39.34 39.16 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 0.52 -0.36 2.98 2.47 -1.64 0.11 114.38 118.45 1dwk h ARG 96 Ca 0.00 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 1dwk h ARG 96 Cb 0.00 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1dwk h ARG 96 CO 0.00 0.34 -0.22 0.74 0.56 0.00 0.00 179.97 181.39 1dwk h PHE 97 N 0.53 0.79 -0.66 3.04 0.04 -1.87 -2.82 116.94 115.99 1dwk h PHE 97 Ca 0.14 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 1dwk h PHE 97 Cb -0.06 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 1dwk h PHE 97 CO 0.00 0.86 0.18 -0.92 -0.60 0.00 0.00 178.31 177.83 1dwk h TYR 98 N 0.62 1.09 0.00 -0.55 3.20 -1.48 -2.97 116.97 116.88 1dwk h TYR 98 Ca 0.09 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1dwk h TYR 98 Cb 0.70 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1dwk h TYR 98 CO 0.03 0.89 0.02 -1.91 -1.64 0.00 0.00 178.16 175.56 1dwk n GLU 99 N -4.31 0.20 0.00 1.82 2.13 0.20 -1.22 120.64 119.46 1dwk n GLU 99 Ca 0.04 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1dwk n GLU 99 Cb 0.24 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.53 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 1.97 0.00 0.09 4.31 7.94 -1.12 -0.79 117.00 129.40 1dwk n LEU 101 Ca 0.01 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 1dwk n LEU 101 Cb 0.10 0.00 0.41 0.00 0.53 0.00 0.00 43.42 44.46 1dwk n LEU 101 CO 0.02 0.00 0.97 1.56 -1.11 0.00 0.00 177.39 178.83 1dwk h GLN 102 N 0.00 0.32 0.11 1.96 1.08 -1.48 0.12 115.11 117.21 1dwk h GLN 102 Ca 0.00 -0.05 -0.29 0.00 -1.45 0.00 0.00 58.65 56.86 1dwk h GLN 102 Cb 0.00 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1dwk h GLN 102 CO 0.00 0.36 -1.52 0.28 -0.95 0.00 0.00 178.83 177.00 1dwk h VAL 103 N 0.31 0.93 -0.13 -0.54 2.07 -1.25 -3.41 116.25 114.23 1dwk h VAL 103 Ca 0.07 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1dwk h VAL 103 Cb 0.23 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 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 -3.89 0.17 -0.27 1.57 4.01 -1.22 -4.71 117.16 112.82 1dwk n TYR 104 Ca -0.27 -0.23 -0.04 0.00 -0.16 0.00 0.00 57.90 57.20 1dwk n TYR 104 Cb 0.91 -0.01 0.10 0.00 -0.31 0.00 0.00 39.34 40.03 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 1.72 1.23 1.80 2.72 0.00 -1.00 0.11 103.07 109.65 1dwk h GLY 105 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 46.55 1dwk h GLY 105 CO 0.00 0.60 -0.59 -0.91 0.00 0.00 0.00 176.54 175.64 1dwk h THR 106 N 1.13 1.39 -0.52 4.70 1.35 -1.84 -1.59 112.91 117.53 1dwk h THR 106 Ca 0.27 -1.96 -0.12 0.00 -0.55 0.00 0.00 66.41 64.04 1dwk h THR 106 Cb 0.17 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 1dwk h THR 106 CO -0.03 0.58 -0.16 0.74 -0.25 0.00 0.00 175.52 176.40 1dwk h THR 107 N 0.16 1.27 -0.69 6.82 2.02 -1.64 -0.24 112.91 120.61 1dwk h THR 107 Ca -0.00 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 1dwk h THR 107 Cb 1.08 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1dwk h THR 107 CO 0.09 0.46 0.31 -0.07 0.37 0.00 0.00 175.52 176.68 1dwk h LEU 108 N 0.89 0.92 0.09 2.58 3.38 -0.60 0.31 115.31 122.87 1dwk h LEU 108 Ca 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1dwk h LEU 108 Cb 0.74 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1dwk h LEU 108 CO 0.06 0.81 -0.06 0.50 0.09 0.00 0.00 178.44 179.84 1dwk h LYS 109 N 0.96 -0.15 -0.65 1.13 3.64 -1.11 -0.07 116.57 120.33 1dwk h LYS 109 Ca 0.23 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1dwk h LYS 109 Cb 0.15 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1dwk h LYS 109 CO -0.03 -0.10 0.29 0.00 -2.27 0.00 0.00 179.45 177.34 1dwk h ALA 110 N 0.76 0.84 -0.05 5.00 0.00 -0.72 -0.95 119.26 124.14 1dwk h ALA 110 Ca -0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1dwk h ALA 110 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1dwk h ALA 110 CO 0.00 0.42 -0.75 -0.07 0.00 0.00 0.00 179.25 178.85 1dwk h LEU 111 N 0.90 0.39 -0.30 0.00 3.38 -0.87 -0.92 115.31 117.88 1dwk h LEU 111 Ca 0.22 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dwk h LEU 111 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1dwk h LEU 111 CO -0.02 1.01 0.19 0.58 0.09 0.00 0.00 178.44 180.29 1dwk h VAL 112 N 0.21 1.09 -0.66 1.22 2.07 -0.71 0.76 116.25 120.23 1dwk h VAL 112 Ca -0.03 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1dwk h VAL 112 Cb 1.33 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1dwk h VAL 112 CO 0.12 0.09 0.10 0.45 0.02 0.00 0.00 177.57 178.35 1dwk h HIS 113 N 0.40 1.16 -0.22 1.57 3.86 -1.02 -0.05 115.15 120.85 1dwk h HIS 113 Ca 0.11 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 1dwk h HIS 113 Cb -0.03 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1dwk h HIS 113 CO -0.05 0.98 0.03 1.49 0.86 0.00 0.00 177.93 181.24 1dwk h GLU 114 N 1.01 0.37 0.05 2.45 4.81 -0.96 -0.68 114.58 121.63 1dwk h GLU 114 Ca 0.20 -0.10 -0.23 0.00 -0.13 0.00 0.00 59.36 59.09 1dwk h GLU 114 Cb 0.45 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1dwk h GLU 114 CO 0.01 0.52 -1.05 0.87 -0.73 0.00 0.00 179.01 178.64 1dwk h LYS 115 N 0.16 0.25 0.00 1.92 1.57 -0.72 -3.42 116.57 116.34 1dwk h LYS 115 Ca 0.07 -0.34 -0.21 0.00 -1.87 0.00 0.00 60.65 58.29 1dwk h LYS 115 Cb 0.34 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1dwk h LYS 115 CO 0.01 1.10 -1.73 1.19 -0.57 0.00 0.00 179.45 179.44 1dwk n PHE 116 N -3.60 0.00 0.00 -1.35 3.01 -0.04 -5.10 117.46 110.37 1dwk n PHE 116 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1dwk n PHE 116 Cb 0.91 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 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 2.37 0.74 3.75 1.37 0.00 -0.26 -5.03 105.19 108.13 1dwk n GLY 117 Ca -0.25 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.34 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 -3.20 5.15 0.00 1.61 -1.08 -1.26 -4.04 116.67 113.85 1dwk s ASP 118 Ca 0.00 2.42 0.00 0.00 -0.52 0.00 0.00 52.55 54.45 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 -1.62 0.00 0.61 0.52 0.00 0.00 175.17 174.68 1dwk n GLY 119 N 0.55 0.52 3.17 2.66 0.00 -1.26 -1.54 105.19 109.29 1dwk n GLY 119 Ca 0.14 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.15 0.77 -0.21 -0.61 -4.36 -0.40 -4.87 121.20 110.37 1dwk s ILE 120 Ca 0.00 -1.88 -0.16 0.00 -0.26 0.00 0.00 60.65 58.35 1dwk s ILE 120 Cb 0.00 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 1dwk s ILE 120 CO 0.00 -0.80 0.40 -0.63 0.24 0.00 0.00 174.94 174.15 1dwk s ILE 121 N -3.35 5.19 0.44 8.37 -1.09 -1.26 -0.96 121.20 128.54 1dwk s ILE 121 Ca 0.11 0.71 -0.25 0.00 -2.23 0.00 0.00 60.65 58.99 1dwk s ILE 121 Cb 0.03 -3.73 -0.08 0.00 -1.58 0.00 0.00 42.46 37.10 1dwk s ILE 121 CO -0.03 0.24 1.29 -0.55 -1.23 0.00 0.00 174.94 174.65 1dwk s SER 122 N 1.10 6.12 0.00 3.58 0.15 0.44 -4.94 113.70 120.16 1dwk s SER 122 Ca 0.19 2.61 0.22 0.00 0.70 0.00 0.00 55.95 59.66 1dwk s SER 122 Cb -0.15 -2.63 0.55 0.00 -1.71 0.00 0.00 66.02 62.08 1dwk s SER 122 CO 0.08 -0.98 1.47 0.00 1.20 0.00 0.00 173.24 175.02 1dwk n ALA 123 N -0.17 2.41 -0.02 5.45 0.00 -1.26 -4.42 120.51 122.49 1dwk n ALA 123 Ca 0.05 -1.10 -0.07 0.00 0.00 0.00 0.00 53.44 52.33 1dwk n ALA 123 Cb 0.45 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 1.45 0.76 -2.71 0.00 2.08 -1.26 -4.70 119.36 114.98 1dwk n ILE 124 Ca 0.21 0.04 -0.43 0.00 0.56 0.00 0.00 62.75 63.14 1dwk n ILE 124 Cb 0.58 -1.68 -0.01 0.00 -0.75 0.00 0.00 39.64 37.77 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 -5.82 6.76 -0.20 4.38 3.84 -1.26 -4.87 114.94 117.78 1dwk s ASN 125 Ca -0.10 -2.23 -0.27 0.00 0.21 0.00 0.00 52.86 50.46 1dwk s ASN 125 Cb 0.03 -2.51 0.08 0.00 -0.55 0.00 0.00 41.25 38.30 1dwk s ASN 125 CO 0.14 -1.15 0.76 0.12 -2.79 0.00 0.00 177.10 174.18 1dwk s PHE 126 N 3.61 -0.69 0.10 0.43 5.36 -1.26 -1.33 117.98 124.20 1dwk s PHE 126 Ca 0.46 1.53 -0.06 0.00 -0.96 0.00 0.00 56.93 57.90 1dwk s PHE 126 Cb 0.00 0.33 -0.02 0.00 -0.34 0.00 0.00 43.02 42.99 1dwk s PHE 126 CO -0.01 -0.42 0.14 -1.59 -1.46 0.00 0.00 175.22 171.87 1dwk s LYS 127 N -0.17 0.87 0.08 10.12 -2.85 -0.27 -5.01 119.74 122.50 1dwk s LYS 127 Ca -0.03 -1.14 -0.04 0.00 -1.00 0.00 0.00 55.97 53.77 1dwk s LYS 127 Cb -0.03 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 1dwk s LYS 127 CO 0.03 -0.26 0.07 -0.48 0.10 0.00 0.00 175.35 174.81 1dwk s LEU 128 N -2.92 1.96 0.09 2.77 0.05 -1.26 -1.39 118.68 117.98 1dwk s LEU 128 Ca 0.11 -0.89 -0.12 0.00 0.05 0.00 0.00 54.13 53.28 1dwk s LEU 128 Cb 0.06 0.56 0.01 0.00 -2.05 0.00 0.00 46.19 44.77 1dwk s LEU 128 CO -0.07 -0.67 0.28 1.51 -0.55 0.00 0.00 176.35 176.85 1dwk s ASP 129 N -2.91 -0.04 -0.14 1.48 -4.77 -1.03 -4.85 116.67 104.41 1dwk s ASP 129 Ca 0.09 -0.46 0.02 0.00 -3.30 0.00 0.00 52.55 48.89 1dwk s ASP 129 Cb 0.07 0.39 0.01 0.00 -1.09 0.00 0.00 42.92 42.30 1dwk s ASP 129 CO -0.09 -0.75 -0.20 -0.69 0.70 0.00 0.00 175.17 174.14 1dwk s VAL 130 N -3.63 1.94 0.10 2.11 1.01 -1.26 -1.45 120.40 119.22 1dwk s VAL 130 Ca 0.03 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1dwk s VAL 130 Cb 0.03 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1dwk s VAL 130 CO -0.10 0.53 -0.23 -0.54 0.00 0.00 0.00 175.10 174.76 1dwk s LYS 131 N 0.96 1.27 -0.17 2.72 -0.14 -0.29 -5.00 119.74 119.09 1dwk s LYS 131 Ca -0.04 -1.18 -0.09 0.00 -1.36 0.00 0.00 55.97 53.30 1dwk s LYS 131 Cb -0.15 -1.58 -0.05 0.00 -1.68 0.00 0.00 37.83 34.38 1dwk s LYS 131 CO -0.04 0.38 0.13 0.21 -0.76 0.00 0.00 175.35 175.26 1dwk s LYS 132 N -1.81 3.87 -0.01 1.68 2.20 -1.26 -1.14 119.74 123.27 1dwk s LYS 132 Ca 0.09 -0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.52 1dwk s LYS 132 Cb -0.10 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1dwk s LYS 132 CO 0.04 0.49 -0.06 0.08 -0.36 0.00 0.00 175.35 175.55 1dwk s VAL 133 N -0.20 0.50 0.40 4.02 1.01 -0.16 -4.98 120.40 120.99 1dwk s VAL 133 Ca 0.11 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.60 1dwk s VAL 133 Cb -0.11 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 1dwk s VAL 133 CO 0.00 0.16 1.40 0.00 0.00 0.00 0.00 175.10 176.66 1dwk s ALA 134 N 0.14 3.37 -0.10 5.51 0.00 -1.26 -0.27 121.76 129.14 1dwk s ALA 134 Ca -0.01 1.41 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 1dwk s ALA 134 Cb -0.06 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1dwk s ALA 134 CO -0.00 -1.00 0.56 0.34 0.00 0.00 0.00 175.76 175.66 1dwk s ASP 135 N -0.47 6.79 0.55 0.00 -1.08 -0.12 -4.72 116.67 117.63 1dwk s ASP 135 Ca 0.56 0.95 0.25 0.00 -0.52 0.00 0.00 52.55 53.79 1dwk s ASP 135 Cb -0.43 -2.33 1.49 0.00 -1.46 0.00 0.00 42.92 40.19 1dwk s ASP 135 CO 0.56 -0.04 2.08 -0.65 0.52 0.00 0.00 175.17 177.64 1dwk h PRO 136 N 6.73 0.00 -0.01 4.34 0.11 -1.94 -0.43 132.00 140.80 1dwk h PRO 136 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 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 0.75 0.00 -0.06 0.39 -0.21 0.00 0.00 178.00 178.87 1dwk n GLU 137 N -4.15 1.22 0.00 1.05 1.02 -1.26 -4.99 120.64 113.52 1dwk n GLU 137 Ca 0.03 -0.57 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 1dwk n GLU 137 Cb 0.36 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1dwk n GLU 137 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dwk n GLY 138 N 1.19 3.11 2.91 0.62 0.00 -0.17 -5.13 105.19 107.71 1dwk n GLY 138 Ca 0.18 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.02 -1.77 3.14 -0.02 0.00 -1.26 -4.54 105.19 100.71 1dwk n GLY 139 Ca 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 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 0.73 0.14 1.61 2.02 -1.26 -0.95 118.70 120.99 1dwk s GLU 140 Ca 0.00 -0.97 0.08 0.00 0.02 0.00 0.00 54.97 54.11 1dwk s GLU 140 Cb 0.00 -0.53 -0.04 0.00 0.10 0.00 0.00 34.13 33.67 1dwk s GLU 140 CO 0.00 0.10 -0.20 1.03 0.02 0.00 0.00 175.26 176.21 1dwk s ARG 141 N -2.10 1.21 -0.19 1.61 0.52 0.63 -4.76 118.95 115.86 1dwk s ARG 141 Ca -0.02 -1.30 -0.10 0.00 -0.52 0.00 0.00 55.73 53.80 1dwk s ARG 141 Cb -0.07 -1.38 -0.05 0.00 0.52 0.00 0.00 34.95 33.97 1dwk s ARG 141 CO 0.01 0.30 0.13 0.00 0.02 0.00 0.00 175.30 175.76 1dwk s ALA 142 N -1.62 3.71 -0.30 2.13 0.00 -1.26 -0.99 121.76 123.43 1dwk s ALA 142 Ca 0.12 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1dwk s ALA 142 Cb -0.08 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.92 1dwk s ALA 142 CO 0.06 0.20 0.05 0.08 0.00 0.00 0.00 175.76 176.15 1dwk s VAL 143 N 0.23 3.54 -0.21 0.00 1.01 -0.29 -4.97 120.40 119.71 1dwk s VAL 143 Ca 0.09 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1dwk s VAL 143 Cb -0.11 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1dwk s VAL 143 CO -0.01 0.01 -0.06 -0.63 0.00 0.00 0.00 175.10 174.40 1dwk s ILE 144 N 1.40 3.23 -0.28 2.22 1.01 -1.26 -1.14 121.20 126.38 1dwk s ILE 144 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 1dwk s ILE 144 Cb -0.18 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1dwk s ILE 144 CO 0.01 0.44 0.11 -0.89 0.00 0.00 0.00 174.94 174.61 1dwk s THR 145 N 1.35 4.44 -0.24 2.92 2.01 -0.53 -4.97 115.64 120.62 1dwk s THR 145 Ca 0.04 -0.32 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 1dwk s THR 145 Cb -0.14 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1dwk s THR 145 CO -0.03 0.19 0.33 -0.76 -0.69 0.00 0.00 174.62 173.66 1dwk s LEU 146 N 1.61 4.09 -0.29 4.42 1.43 -1.26 -2.46 118.68 126.22 1dwk s LEU 146 Ca 0.05 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1dwk s LEU 146 Cb -0.16 -2.38 0.09 0.00 0.03 0.00 0.00 46.19 43.77 1dwk s LEU 146 CO 0.05 -0.10 0.09 -0.62 0.23 0.00 0.00 176.35 176.00 1dwk s ASP 147 N 1.36 3.83 0.06 2.29 -1.08 -0.49 -5.02 116.67 117.62 1dwk s ASP 147 Ca 0.14 -1.48 0.06 0.00 -0.52 0.00 0.00 52.55 50.75 1dwk s ASP 147 Cb -0.15 -0.80 -0.03 0.00 -1.46 0.00 0.00 42.92 40.48 1dwk s ASP 147 CO 0.08 -0.40 -0.15 -0.83 0.52 0.00 0.00 175.17 174.39 1dwk s GLY 148 N 1.68 0.89 0.32 2.66 0.00 -1.26 -1.12 107.32 110.49 1dwk s GLY 148 Ca 0.08 -0.95 -0.28 0.00 0.00 0.00 0.00 44.72 43.56 1dwk s GLY 148 CO -0.23 -0.95 1.17 1.25 0.00 0.00 0.00 173.10 174.34 1dwk s LYS 149 N -1.44 4.45 -0.07 2.90 2.47 -0.44 -4.62 119.74 122.99 1dwk s LYS 149 Ca 0.01 1.92 -0.30 0.00 -1.56 0.00 0.00 55.97 56.05 1dwk s LYS 149 Cb -0.09 -3.05 -0.03 0.00 -1.46 0.00 0.00 37.83 33.20 1dwk s LYS 149 CO 0.02 0.00 1.11 -0.47 0.16 0.00 0.00 175.35 176.17 1dwk s TYR 150 N -1.21 3.36 -0.20 4.03 5.04 -1.26 -0.42 117.35 126.68 1dwk s TYR 150 Ca 0.48 1.40 -0.01 0.00 -2.44 0.00 0.00 57.07 56.50 1dwk s TYR 150 Cb -0.34 -3.31 0.01 0.00 0.35 0.00 0.00 41.96 38.67 1dwk s TYR 150 CO 0.44 -0.81 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.20 1dwk s LEU 151 N 2.00 2.54 0.42 6.97 1.43 -0.13 -4.97 118.68 126.93 1dwk s LEU 151 Ca 0.53 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.77 1dwk s LEU 151 Cb -0.22 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 1dwk s LEU 151 CO 0.21 -0.03 1.01 -2.16 0.23 0.00 0.00 176.35 175.61 1dwk s PRO 152 N 1.34 4.12 -0.37 1.29 0.04 -1.26 -1.27 135.00 138.89 1dwk s PRO 152 Ca 0.04 1.36 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 1dwk s PRO 152 Cb -0.14 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.04 1dwk s PRO 152 CO -0.09 -0.16 0.29 0.99 0.04 0.00 0.00 177.00 178.07 1dwk s THR 153 N -1.86 5.25 0.20 1.26 2.01 -0.59 -4.85 115.64 117.07 1dwk s THR 153 Ca 0.61 -0.36 0.11 0.00 0.31 0.00 0.00 61.69 62.36 1dwk s THR 153 Cb -0.17 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1dwk s THR 153 CO 0.22 -0.15 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.22 1dwk s LYS 154 N 1.76 1.56 0.68 4.92 1.02 -1.26 -4.62 119.74 123.80 1dwk s LYS 154 Ca 0.07 -1.54 -0.17 0.00 0.02 0.00 0.00 55.97 54.34 1dwk s LYS 154 Cb -0.18 -1.85 0.01 0.00 -0.52 0.00 0.00 37.83 35.29 1dwk s LYS 154 CO 0.11 0.39 1.25 -2.30 -0.92 0.00 0.00 175.35 173.88 1dwk n PRO 155 N 0.16 0.90 0.00 -1.68 -0.02 -1.26 -5.20 135.00 127.89 1dwk n PRO 155 Ca -0.12 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1dwk n PRO 155 Cb 0.56 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1dwk n PRO 155 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45