#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 0.74 0.03 9.51 -1.52 -1.26 -5.08 119.66 122.09 1dwk s GLN 3 Ca 0.00 -0.55 0.01 0.00 -1.95 0.00 0.00 55.36 52.87 1dwk s GLN 3 Cb 0.00 -0.69 -0.02 0.00 -0.22 0.00 0.00 33.01 32.07 1dwk s GLN 3 CO 0.00 0.17 -0.05 -1.54 -0.25 0.00 0.00 175.29 173.62 1dwk s SER 4 N -0.80 0.53 0.31 5.90 1.04 -1.26 -0.31 113.70 119.11 1dwk s SER 4 Ca 0.00 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.87 1dwk s SER 4 Cb -0.06 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 1dwk s SER 4 CO 0.00 -0.29 0.51 -1.10 0.98 0.00 0.00 173.24 173.34 1dwk s GLN 5 N -1.73 3.49 0.00 4.02 -1.52 0.32 -4.87 119.66 119.37 1dwk s GLN 5 Ca -0.11 -0.37 0.00 0.00 -1.95 0.00 0.00 55.36 52.93 1dwk s GLN 5 Cb -0.08 -2.71 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 1dwk s GLN 5 CO -0.01 0.22 0.08 0.44 -0.25 0.00 0.00 175.29 175.77 1dwk n ILE 6 N -1.55 0.00 -3.98 1.08 -5.35 -1.26 -4.00 119.36 104.30 1dwk n ILE 6 Ca -0.05 -0.25 -0.30 0.00 -0.27 0.00 0.00 62.75 61.88 1dwk n ILE 6 Cb 0.56 1.16 -0.16 0.00 -1.74 0.00 0.00 39.64 39.46 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 -0.33 3.56 0.58 7.28 2.47 -1.26 -4.95 114.94 122.28 1dwk s ASN 7 Ca 0.00 -0.99 0.35 0.00 0.42 0.00 0.00 52.86 52.64 1dwk s ASN 7 Cb 0.00 -1.22 1.75 0.00 -1.45 0.00 0.00 41.25 40.32 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 7.96 0.00 0.00 0.43 0.11 -1.94 -3.00 114.38 117.94 1dwk h ARG 8 Ca -0.24 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.83 1dwk h ARG 8 Cb 1.09 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.17 1dwk h ARG 8 CO 0.45 0.05 -0.03 -0.91 0.10 0.00 0.00 179.97 179.63 1dwk h ASN 9 N 0.00 0.00 -0.10 0.08 2.35 -1.95 -0.22 115.58 115.74 1dwk h ASN 9 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1dwk h ASN 9 Cb 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1dwk h ASN 9 CO 0.01 0.03 -0.01 0.40 -1.65 0.00 0.00 177.43 176.21 1dwk h ILE 10 N 0.00 1.27 0.00 2.81 1.08 -1.97 0.67 117.51 121.38 1dwk h ILE 10 Ca -0.00 -0.87 -0.15 0.00 -0.39 0.00 0.00 64.86 63.45 1dwk h ILE 10 Cb 0.07 1.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1dwk h ILE 10 CO 0.00 0.25 -0.70 0.03 -0.69 0.00 0.00 178.15 177.04 1dwk h ARG 11 N -0.11 0.00 -0.15 2.37 2.47 -1.70 -2.10 114.38 115.16 1dwk h ARG 11 Ca 0.03 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.61 1dwk h ARG 11 Cb 0.39 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1dwk h ARG 11 CO 0.01 0.70 -0.49 -0.07 0.56 0.00 0.00 179.97 180.67 1dwk h LEU 12 N 0.00 0.42 -0.53 3.04 3.38 -0.88 -0.74 115.31 120.00 1dwk h LEU 12 Ca -0.01 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1dwk h LEU 12 Cb 1.30 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1dwk h LEU 12 CO 0.09 0.85 -0.06 0.44 0.09 0.00 0.00 178.44 179.85 1dwk h ASP 13 N 0.31 0.98 -0.70 -0.43 3.32 -0.77 -2.17 116.42 116.95 1dwk h ASP 13 Ca 0.01 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 56.78 1dwk h ASP 13 Cb 0.98 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 1dwk h ASP 13 CO 0.08 1.08 0.42 0.25 -1.72 0.00 0.00 179.24 179.35 1dwk h LEU 14 N 0.86 0.64 -0.63 1.55 5.85 -1.23 -1.93 115.31 120.42 1dwk h LEU 14 Ca 0.14 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1dwk h LEU 14 Cb 0.62 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1dwk h LEU 14 CO 0.04 0.43 0.32 0.00 -0.34 0.00 0.00 178.44 178.89 1dwk h ALA 15 N 1.34 0.83 -0.75 1.25 0.00 -0.70 0.34 119.26 121.58 1dwk h ALA 15 Ca 0.30 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1dwk h ALA 15 Cb 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1dwk h ALA 15 CO -0.16 -0.03 0.47 -0.44 0.00 0.00 0.00 179.25 179.10 1dwk h ASP 16 N 0.60 0.87 -0.41 0.00 3.32 -0.95 -0.56 116.42 119.29 1dwk h ASP 16 Ca 0.29 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 1dwk h ASP 16 Cb 0.22 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1dwk h ASP 16 CO -0.20 0.65 -0.18 0.00 -1.72 0.00 0.00 179.24 177.79 1dwk h ALA 17 N 1.26 0.81 -0.54 3.45 0.00 -0.59 -1.73 119.26 121.90 1dwk h ALA 17 Ca 0.27 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1dwk h ALA 17 Cb -0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1dwk h ALA 17 CO -0.06 0.65 0.32 0.82 0.00 0.00 0.00 179.25 180.98 1dwk h ILE 18 N 0.79 1.04 -0.25 0.00 2.04 -0.61 -1.35 117.51 119.16 1dwk h ILE 18 Ca 0.11 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 1dwk h ILE 18 Cb 0.73 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1dwk h ILE 18 CO 0.06 0.11 -0.26 -0.07 0.00 0.00 0.00 178.15 177.99 1dwk h LEU 19 N 0.63 0.49 -0.18 1.44 3.38 -0.79 0.96 115.31 121.23 1dwk h LEU 19 Ca 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1dwk h LEU 19 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1dwk h LEU 19 CO -0.11 0.74 0.07 0.25 0.09 0.00 0.00 178.44 179.48 1dwk h LEU 20 N 0.43 0.25 -0.67 1.67 5.85 -1.05 -1.04 115.31 120.76 1dwk h LEU 20 Ca 0.06 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1dwk h LEU 20 Cb 0.68 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1dwk h LEU 20 CO 0.05 0.36 0.36 -1.28 -0.34 0.00 0.00 178.44 177.60 1dwk h SER 21 N 0.13 0.83 -0.77 1.25 0.87 -0.87 0.05 113.55 115.05 1dwk h SER 21 Ca 0.06 -0.10 0.09 0.00 -1.23 0.00 0.00 61.79 60.61 1dwk h SER 21 Cb 0.19 -0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 61.87 1dwk h SER 21 CO -0.00 0.69 0.42 0.50 -0.53 0.00 0.00 176.83 177.91 1dwk h LYS 22 N 0.91 0.71 -0.30 2.24 3.64 -0.77 -0.97 116.57 122.02 1dwk h LYS 22 Ca 0.23 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.39 1dwk h LYS 22 Cb 0.04 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1dwk h LYS 22 CO -0.04 0.47 -0.50 0.00 -2.27 0.00 0.00 179.45 177.11 1dwk h ALA 23 N 1.43 0.47 -0.33 5.00 0.00 -0.68 -0.66 119.26 124.48 1dwk h ALA 23 Ca 0.37 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1dwk h ALA 23 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1dwk h ALA 23 CO -0.24 0.66 0.13 0.87 0.00 0.00 0.00 179.25 180.67 1dwk h LYS 24 N 0.66 0.46 -0.04 0.00 1.57 -0.57 -1.60 116.57 117.06 1dwk h LYS 24 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1dwk h LYS 24 Cb 1.11 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1dwk h LYS 24 CO 0.11 0.39 0.00 1.63 -0.57 0.00 0.00 179.45 181.02 1dwk n LYS 25 N -4.40 1.67 -3.87 3.15 5.02 -0.41 -4.95 118.16 114.36 1dwk n LYS 25 Ca 0.02 -0.97 -0.26 0.00 -2.02 0.00 0.00 58.31 55.08 1dwk n LYS 25 Cb 0.14 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.18 -1.74 -4.94 4.39 2.03 -0.39 -4.97 116.55 111.11 1dwk n ASP 26 Ca 0.19 -0.89 -0.25 0.00 0.52 0.00 0.00 54.79 54.35 1dwk n ASP 26 Cb 0.35 -3.57 -0.03 0.00 -0.72 0.00 0.00 41.12 37.15 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 -6.94 4.22 0.22 -2.67 1.43 -0.42 -5.04 118.68 109.48 1dwk s LEU 27 Ca 0.19 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1dwk s LEU 27 Cb -0.10 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 1dwk s LEU 27 CO 0.85 -0.08 0.37 -0.94 0.23 0.00 0.00 176.35 176.78 1dwk s SER 28 N -3.48 6.34 0.39 2.29 1.04 -1.26 -4.80 113.70 114.21 1dwk s SER 28 Ca 0.37 0.23 0.07 0.00 0.48 0.00 0.00 55.95 57.11 1dwk s SER 28 Cb -0.10 -1.93 0.79 0.00 0.10 0.00 0.00 66.02 64.87 1dwk s SER 28 CO 0.30 -0.05 1.98 -0.26 0.98 0.00 0.00 173.24 176.19 1dwk h PHE 29 N 1.62 0.44 -0.49 5.02 0.04 -1.99 -1.77 116.94 119.82 1dwk h PHE 29 Ca -0.50 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.23 1dwk h PHE 29 Cb 1.21 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 1dwk h PHE 29 CO 0.51 0.38 0.19 0.00 -0.60 0.00 0.00 178.31 178.79 1dwk h ALA 30 N 1.66 0.63 0.00 2.45 0.00 -1.96 -1.77 119.26 120.28 1dwk h ALA 30 Ca 0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1dwk h ALA 30 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1dwk h ALA 30 CO -0.01 0.24 -0.50 1.05 0.00 0.00 0.00 179.25 180.03 1dwk h GLU 31 N 0.65 0.00 -0.55 0.00 4.11 -1.89 -0.38 114.58 116.52 1dwk h GLU 31 Ca 0.16 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.49 1dwk h GLU 31 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1dwk h GLU 31 CO -0.01 0.50 -0.05 0.82 0.07 0.00 0.00 179.01 180.34 1dwk h ILE 32 N 0.00 1.27 0.00 -1.06 2.04 -1.13 -3.11 117.51 115.51 1dwk h ILE 32 Ca -0.01 -1.20 -0.17 0.00 1.00 0.00 0.00 64.86 64.49 1dwk h ILE 32 Cb 1.10 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1dwk h ILE 32 CO 0.07 0.43 -0.79 0.00 0.00 0.00 0.00 178.15 177.85 1dwk h ALA 33 N 0.94 0.64 -2.31 1.87 0.00 -1.15 -3.44 119.26 115.81 1dwk h ALA 33 Ca 0.15 -0.72 -0.57 0.00 0.00 0.00 0.00 54.91 53.77 1dwk h ALA 33 Cb 0.61 -0.13 0.05 0.00 0.00 0.00 0.00 17.79 18.32 1dwk h ALA 33 CO 0.04 0.99 0.95 -3.47 0.00 0.00 0.00 179.25 177.76 1dwk n ASP 34 N -3.53 3.48 0.00 0.00 2.03 -0.17 -1.68 116.55 116.69 1dwk n ASP 34 Ca -0.00 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.34 1dwk n ASP 34 Cb 0.78 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 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 3.86 1.27 0.13 0.27 0.00 -1.26 -4.90 105.19 104.56 1dwk n GLY 35 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1dwk n GLY 35 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dwk h THR 36 N 0.00 0.00 0.00 2.61 2.02 -1.61 -3.48 112.91 112.45 1dwk h THR 36 Ca 0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1dwk h THR 36 Cb 0.00 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1dwk h THR 36 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1dwk n GLY 37 N 1.19 0.73 3.55 2.16 0.00 -1.26 -4.92 105.19 106.64 1dwk n GLY 37 Ca 0.02 0.00 -0.30 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 2.93 0.58 0.99 1.43 -1.26 -5.10 118.68 118.25 1dwk s LEU 38 Ca 0.00 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 1dwk s LEU 38 Cb 0.00 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1dwk s LEU 38 CO 0.00 0.19 1.23 0.00 0.23 0.00 0.00 176.35 178.00 1dwk s ALA 39 N -1.17 2.61 0.27 4.21 0.00 -1.26 -4.79 121.76 121.64 1dwk s ALA 39 Ca 0.20 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.21 1dwk s ALA 39 Cb -0.11 -3.47 0.42 0.00 0.00 0.00 0.00 23.12 19.96 1dwk s ALA 39 CO 0.12 -1.18 1.90 1.05 0.00 0.00 0.00 175.76 177.65 1dwk h GLU 40 N 1.06 1.14 -0.64 0.00 4.11 -1.93 -0.79 114.58 117.53 1dwk h GLU 40 Ca -0.50 -0.07 -0.07 0.00 0.07 0.00 0.00 59.36 58.79 1dwk h GLU 40 Cb 1.30 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1dwk h GLU 40 CO 0.56 0.75 0.14 0.00 0.07 0.00 0.00 179.01 180.53 1dwk h ALA 41 N 1.46 1.03 0.02 1.06 0.00 -1.91 -0.69 119.26 120.24 1dwk h ALA 41 Ca 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1dwk h ALA 41 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1dwk h ALA 41 CO -0.15 0.63 -0.01 0.35 0.00 0.00 0.00 179.25 180.07 1dwk h PHE 42 N 0.97 -0.02 -0.68 0.00 3.57 -1.61 -1.95 116.94 117.23 1dwk h PHE 42 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1dwk h PHE 42 Cb 0.37 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1dwk h PHE 42 CO 0.03 0.34 0.38 0.28 -2.23 0.00 0.00 178.31 177.11 1dwk h VAL 43 N -0.39 1.21 -0.49 1.41 2.07 -1.13 -1.40 116.25 117.53 1dwk h VAL 43 Ca -0.00 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1dwk h VAL 43 Cb 0.38 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1dwk h VAL 43 CO 0.00 0.22 0.25 0.74 0.02 0.00 0.00 177.57 178.80 1dwk h THR 44 N 0.93 1.18 -0.89 2.57 2.02 -1.19 -0.59 112.91 116.95 1dwk h THR 44 Ca 0.24 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1dwk h THR 44 Cb 0.02 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 1dwk h THR 44 CO -0.04 0.20 0.59 0.00 0.37 0.00 0.00 175.52 176.63 1dwk h ALA 45 N 1.09 1.40 -0.14 6.16 0.00 -1.08 -1.05 119.26 125.64 1dwk h ALA 45 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1dwk h ALA 45 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1dwk h ALA 45 CO -0.02 0.53 0.05 0.00 0.00 0.00 0.00 179.25 179.80 1dwk h ALA 46 N 1.46 0.18 -1.00 0.00 0.00 -0.63 0.85 119.26 120.12 1dwk h ALA 46 Ca 0.34 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.27 1dwk h ALA 46 Cb -0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 1dwk h ALA 46 CO -0.09 -0.22 0.63 -0.07 0.00 0.00 0.00 179.25 179.50 1dwk h LEU 47 N 0.05 0.88 -0.73 0.00 3.38 -0.43 -1.43 115.31 117.03 1dwk h LEU 47 Ca 0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dwk h LEU 47 Cb 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1dwk h LEU 47 CO -0.00 0.44 0.00 0.18 0.09 0.00 0.00 178.44 179.15 1dwk n LEU 48 N -4.65 1.05 0.00 1.67 4.77 -0.46 -4.16 117.00 115.22 1dwk n LEU 48 Ca 0.20 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1dwk n LEU 48 Cb 0.41 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1dwk n LEU 48 CO 0.26 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1dwk n GLY 49 N 0.74 0.86 0.15 -0.72 0.00 -0.54 -4.82 105.19 100.85 1dwk n GLY 49 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.20 -0.45 -4.01 1.61 1.13 0.22 -4.70 117.38 108.99 1dwk n GLN 50 Ca 0.00 -0.73 -0.10 0.00 -1.94 0.00 0.00 57.00 54.23 1dwk n GLN 50 Cb 0.00 -1.07 -0.07 0.00 0.11 0.00 0.00 30.24 29.20 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 -0.32 1.17 -0.11 -1.09 -1.52 -1.21 -4.82 119.66 111.76 1dwk s GLN 51 Ca 0.04 -1.25 -0.04 0.00 -1.95 0.00 0.00 55.36 52.16 1dwk s GLN 51 Cb 0.03 0.36 -0.04 0.00 -0.22 0.00 0.00 33.01 33.15 1dwk s GLN 51 CO 0.05 -0.42 0.04 0.00 -0.25 0.00 0.00 175.29 174.71 1dwk s ALA 52 N -4.00 3.44 -0.01 6.09 0.00 -1.26 -4.30 121.76 121.73 1dwk s ALA 52 Ca 0.20 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.22 1dwk s ALA 52 Cb 0.04 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 1dwk s ALA 52 CO 0.02 0.53 0.55 -0.51 0.00 0.00 0.00 175.76 176.34 1dwk s LEU 53 N -0.70 4.42 0.90 0.00 1.43 -0.26 -4.99 118.68 119.48 1dwk s LEU 53 Ca 0.12 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.18 1dwk s LEU 53 Cb -0.12 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.28 1dwk s LEU 53 CO 0.02 0.14 0.42 -2.65 0.23 0.00 0.00 176.35 174.52 1dwk n PRO 54 N 2.59 -0.16 -0.21 1.29 -0.02 -1.26 -4.15 135.00 133.08 1dwk n PRO 54 Ca -0.08 -0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.35 1dwk n PRO 54 Cb 0.51 -1.85 0.06 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 -1.30 0.79 -0.65 3.55 0.00 -1.97 -0.27 119.26 119.41 1dwk h ALA 55 Ca -0.44 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1dwk h ALA 55 Cb 1.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1dwk h ALA 55 CO 0.36 0.13 0.25 -0.44 0.00 0.00 0.00 179.25 179.55 1dwk h ASP 56 N 0.75 0.91 -0.52 0.00 3.32 -1.99 0.11 116.42 119.00 1dwk h ASP 56 Ca 0.24 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1dwk h ASP 56 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1dwk h ASP 56 CO -0.09 0.84 -0.08 0.00 -1.72 0.00 0.00 179.24 178.19 1dwk h ALA 57 N 1.10 0.84 -0.53 3.45 0.00 -1.80 0.17 119.26 122.49 1dwk h ALA 57 Ca 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1dwk h ALA 57 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1dwk h ALA 57 CO -0.02 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.13 1dwk h ALA 58 N 1.01 0.68 -0.76 0.00 0.00 -0.67 0.17 119.26 119.69 1dwk h ALA 58 Ca 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1dwk h ALA 58 Cb 0.63 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1dwk h ALA 58 CO 0.04 0.26 0.29 0.00 0.00 0.00 0.00 179.25 179.84 1dwk h ARG 59 N 0.71 1.15 -0.10 0.00 3.08 -0.65 -0.59 114.38 117.98 1dwk h ARG 59 Ca 0.18 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1dwk h ARG 59 Cb 0.15 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1dwk h ARG 59 CO -0.02 0.94 0.02 -0.07 -1.07 0.00 0.00 179.97 179.78 1dwk h LEU 60 N 1.12 0.15 -0.78 3.04 3.38 -0.38 -0.50 115.31 121.33 1dwk h LEU 60 Ca 0.25 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1dwk h LEU 60 Cb 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1dwk h LEU 60 CO -0.02 0.34 -0.49 -0.37 0.09 0.00 0.00 178.44 177.99 1dwk h VAL 61 N -0.05 1.10 -0.48 1.22 -1.51 -0.70 -2.41 116.25 113.42 1dwk h VAL 61 Ca 0.03 -1.84 -0.06 0.00 -1.23 0.00 0.00 66.70 63.60 1dwk h VAL 61 Cb 0.25 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.46 1dwk h VAL 61 CO 0.00 0.48 0.07 1.23 -1.23 0.00 0.00 177.57 178.12 1dwk h GLY 62 N 2.13 0.86 0.97 5.19 0.00 -0.94 -1.52 103.07 109.75 1dwk h GLY 62 Ca -0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1dwk h GLY 62 CO 0.06 0.54 0.15 0.00 0.00 0.00 0.00 176.54 177.29 1dwk h ALA 63 N 0.96 0.64 -0.39 3.60 0.00 -0.86 0.81 119.26 124.02 1dwk h ALA 63 Ca 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dwk h ALA 63 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1dwk h ALA 63 CO 0.01 0.31 0.23 0.87 0.00 0.00 0.00 179.25 180.67 1dwk h LYS 64 N 0.66 0.52 -0.27 0.00 1.57 -1.08 -3.04 116.57 114.93 1dwk h LYS 64 Ca 0.16 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1dwk h LYS 64 Cb 0.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1dwk h LYS 64 CO -0.00 0.36 0.00 1.28 -0.57 0.00 0.00 179.45 180.52 1dwk n LEU 65 N -4.46 2.98 -3.67 2.94 4.77 -0.60 -4.98 117.00 113.97 1dwk n LEU 65 Ca 0.03 -1.46 -0.23 0.00 -0.03 0.00 0.00 56.01 54.32 1dwk n LEU 65 Cb 0.08 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1dwk n LEU 65 CO 0.36 0.64 0.06 0.47 -1.33 0.00 0.00 177.39 177.59 1dwk n ASP 66 N 1.09 -3.01 -4.84 -1.43 8.00 -0.25 -4.89 116.55 111.21 1dwk n ASP 66 Ca 0.14 -0.72 -0.32 0.00 0.71 0.00 0.00 54.79 54.60 1dwk n ASP 66 Cb 0.49 -4.42 -0.05 0.00 -0.02 0.00 0.00 41.12 37.13 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 -6.85 3.80 0.89 0.64 1.43 0.12 -5.04 118.68 113.68 1dwk s LEU 67 Ca 0.24 1.47 -0.13 0.00 -1.03 0.00 0.00 54.13 54.68 1dwk s LEU 67 Cb -0.12 -4.36 0.17 0.00 0.03 0.00 0.00 46.19 41.92 1dwk s LEU 67 CO 0.78 -0.44 1.24 1.51 0.23 0.00 0.00 176.35 179.67 1dwk s ASP 68 N -2.77 3.55 0.16 2.29 1.47 -1.26 -4.79 116.67 115.31 1dwk s ASP 68 Ca 0.57 0.23 -0.11 0.00 1.18 0.00 0.00 52.55 54.43 1dwk s ASP 68 Cb -0.10 -0.41 0.02 0.00 -0.34 0.00 0.00 42.92 42.10 1dwk s ASP 68 CO 0.25 -2.45 1.58 -0.33 0.68 0.00 0.00 175.17 174.91 1dwk h GLU 69 N -1.35 0.98 -0.90 2.11 4.39 -1.99 -1.27 114.58 116.54 1dwk h GLU 69 Ca -0.43 -0.36 0.04 0.00 0.34 0.00 0.00 59.36 58.95 1dwk h GLU 69 Cb 1.25 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.78 1dwk h GLU 69 CO 0.43 1.03 0.58 -0.44 -1.16 0.00 0.00 179.01 179.45 1dwk h ASP 70 N 0.84 0.96 -0.36 1.42 5.19 -1.99 -1.00 116.42 121.49 1dwk h ASP 70 Ca 0.14 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.49 1dwk h ASP 70 Cb 0.65 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1dwk h ASP 70 CO 0.04 0.66 0.02 0.28 -3.12 0.00 0.00 179.24 177.12 1dwk h SER 71 N 1.12 0.60 -0.81 6.45 0.02 -1.85 -0.26 113.55 118.83 1dwk h SER 71 Ca 0.37 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1dwk h SER 71 Cb 0.03 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1dwk h SER 71 CO -0.13 0.75 0.49 0.40 -1.14 0.00 0.00 176.83 177.21 1dwk h ILE 72 N 0.44 1.22 -0.82 3.27 2.04 -0.96 -2.01 117.51 120.69 1dwk h ILE 72 Ca 0.10 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1dwk h ILE 72 Cb 0.43 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1dwk h ILE 72 CO 0.02 0.23 0.42 0.25 0.00 0.00 0.00 178.15 179.06 1dwk h LEU 73 N 1.10 1.05 -1.07 1.44 5.85 -0.92 -3.07 115.31 119.70 1dwk h LEU 73 Ca 0.29 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1dwk h LEU 73 Cb -0.06 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1dwk h LEU 73 CO -0.06 0.87 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.79 1dwk h LEU 74 N 1.16 0.58 -2.30 2.25 3.38 -0.59 -1.40 115.31 118.39 1dwk h LEU 74 Ca 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1dwk h LEU 74 Cb 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1dwk h LEU 74 CO -0.04 0.68 -0.04 -0.07 0.09 0.00 0.00 178.44 179.07 1dwk h LEU 75 N 0.57 0.00 -5.78 1.67 3.38 -1.28 -3.46 115.31 110.41 1dwk h LEU 75 Ca 0.11 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.36 1dwk h LEU 75 Cb 0.44 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1dwk h LEU 75 CO 0.02 0.04 2.88 0.00 0.09 0.00 0.00 178.44 181.47 1dwk n GLN 76 N -3.35 3.65 -4.76 1.13 6.02 -0.53 -1.11 117.38 118.43 1dwk n GLN 76 Ca -0.02 -2.92 -0.33 0.00 -0.01 0.00 0.00 57.00 53.72 1dwk n GLN 76 Cb 0.17 -2.93 -0.15 0.00 1.02 0.00 0.00 30.24 28.35 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 1.27 2.97 0.61 5.09 -1.09 0.58 -4.67 121.20 125.96 1dwk s ILE 78 Ca 0.52 -0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 58.14 1dwk s ILE 78 Cb 0.15 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.74 1dwk s ILE 78 CO -0.06 0.52 1.03 -2.16 -1.23 0.00 0.00 174.94 173.04 1dwk s PRO 79 N 0.41 3.53 -0.65 2.79 0.04 -1.26 -0.52 135.00 139.34 1dwk s PRO 79 Ca -0.11 0.84 -0.23 0.00 0.04 0.00 0.00 61.00 61.55 1dwk s PRO 79 Cb -0.16 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.37 1dwk s PRO 79 CO 0.05 -0.62 0.98 -1.17 0.04 0.00 0.00 177.00 176.28 1dwk s LEU 80 N -5.01 4.30 0.44 -3.56 1.98 -1.26 -4.74 118.68 110.83 1dwk s LEU 80 Ca 0.57 -0.91 -0.13 0.00 -2.89 0.00 0.00 54.13 50.77 1dwk s LEU 80 Cb -0.12 -2.46 -0.07 0.00 0.66 0.00 0.00 46.19 44.21 1dwk s LEU 80 CO 0.49 -1.44 0.84 -0.13 -1.89 0.00 0.00 176.35 174.21 1dwk s ARG 81 N 4.14 3.84 0.00 1.98 0.52 -1.26 -4.50 118.95 123.67 1dwk s ARG 81 Ca 0.23 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 1dwk s ARG 81 Cb -0.16 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.00 1dwk s ARG 81 CO 0.11 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.74 1dwk n GLY 82 N -1.36 2.00 0.04 -3.53 0.00 -1.26 -5.07 105.19 96.01 1dwk n GLY 82 Ca 0.04 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.15 4.87 0.14 0.00 1.01 -1.26 -4.96 121.20 117.85 1dwk s ILE 84 Ca 0.06 1.78 -0.23 0.00 0.00 0.00 0.00 60.65 62.26 1dwk s ILE 84 Cb 0.15 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1dwk s ILE 84 CO 0.76 0.06 1.64 -0.78 0.00 0.00 0.00 174.94 176.61 1dwk h ASP 85 N 7.14 -0.69 -1.61 3.58 3.58 -1.90 -3.36 116.42 123.15 1dwk h ASP 85 Ca -0.32 0.12 -0.49 0.00 0.42 0.00 0.00 57.03 56.76 1dwk h ASP 85 Cb 1.15 0.32 -0.34 0.00 1.72 0.00 0.00 39.33 42.18 1dwk h ASP 85 CO 0.83 -0.27 -1.00 -0.67 -2.88 0.00 0.00 179.24 175.25 1dwk n ASP 86 N -5.36 -0.36 0.00 2.28 2.03 -1.26 -5.04 116.55 108.85 1dwk n ASP 86 Ca -0.02 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1dwk n ASP 86 Cb 0.27 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 1.33 0.00 -4.08 -0.67 1.74 -1.26 -4.74 116.66 108.98 1dwk n ARG 87 Ca 0.19 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.92 1dwk n ARG 87 Cb 0.56 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.88 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 3.92 0.49 0.55 1.01 -1.26 -5.02 121.20 120.89 1dwk s ILE 88 Ca 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 1dwk s ILE 88 Cb 0.00 -2.77 -0.07 0.00 0.01 0.00 0.00 42.46 39.63 1dwk s ILE 88 CO 0.00 0.43 1.40 -2.84 0.00 0.00 0.00 174.94 173.93 1dwk s PRO 89 N 1.00 3.49 -0.01 2.79 0.02 -1.26 -4.89 135.00 136.13 1dwk s PRO 89 Ca 0.02 2.35 0.16 0.00 0.02 0.00 0.00 61.00 63.55 1dwk s PRO 89 Cb -0.14 -2.51 -0.19 0.00 0.02 0.00 0.00 34.50 31.68 1dwk s PRO 89 CO 0.02 -0.96 0.65 0.25 -0.33 0.00 0.00 177.00 176.63 1dwk n THR 90 N -0.50 1.23 -2.31 0.99 -2.24 -1.26 -4.71 114.28 105.48 1dwk n THR 90 Ca 0.07 -0.73 -0.41 0.00 -2.27 0.00 0.00 64.05 60.71 1dwk n THR 90 Cb 0.43 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 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 -5.71 7.00 0.19 3.42 2.15 -1.26 -4.90 116.67 117.57 1dwk s ASP 91 Ca -0.05 2.30 -0.12 0.00 0.43 0.00 0.00 52.55 55.11 1dwk s ASP 91 Cb 0.08 -2.61 0.17 0.00 -0.30 0.00 0.00 42.92 40.26 1dwk s ASP 91 CO 0.82 -0.45 1.80 -0.65 -0.17 0.00 0.00 175.17 176.53 1dwk h PRO 92 N 5.40 0.59 0.00 4.34 0.11 -2.05 0.26 132.00 140.65 1dwk h PRO 92 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dwk h PRO 92 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1dwk h PRO 92 CO 0.76 0.39 0.00 2.41 -0.21 0.00 0.00 178.00 181.35 1dwk n THR 93 N -4.82 0.00 0.00 -1.15 -1.04 -1.26 -2.04 114.28 103.97 1dwk n THR 93 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1dwk n THR 93 Cb 0.13 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.31 0.00 0.10 -1.42 9.36 0.91 -4.21 117.16 122.21 1dwk n TYR 95 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 1dwk n TYR 95 Cb 0.00 0.00 0.52 0.00 -0.63 0.00 0.00 39.34 39.23 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 0.31 -0.22 2.98 2.47 -1.67 0.15 114.38 118.41 1dwk h ARG 96 Ca 0.00 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.55 1dwk h ARG 96 Cb 0.00 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1dwk h ARG 96 CO 0.00 0.21 -0.49 0.74 0.56 0.00 0.00 179.97 180.99 1dwk h PHE 97 N 0.32 0.72 -0.56 3.04 0.04 -1.87 -2.77 116.94 115.86 1dwk h PHE 97 Ca 0.09 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 1dwk h PHE 97 Cb -0.01 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 1dwk h PHE 97 CO -0.00 0.96 0.32 -0.92 -0.60 0.00 0.00 178.31 178.07 1dwk h TYR 98 N 0.46 0.75 0.00 -0.55 3.20 -1.52 -2.99 116.97 116.33 1dwk h TYR 98 Ca 0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1dwk h TYR 98 Cb 1.02 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1dwk h TYR 98 CO 0.04 0.54 0.00 -1.91 -1.64 0.00 0.00 178.16 175.19 1dwk n GLU 99 N -4.62 0.10 0.00 1.82 2.13 0.37 -1.41 120.64 119.03 1dwk n GLU 99 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1dwk n GLU 99 Cb 0.07 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.33 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 1.93 0.00 0.03 4.31 7.94 -1.13 -0.92 117.00 129.16 1dwk n LEU 101 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 1dwk n LEU 101 Cb 0.05 0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.39 1dwk n LEU 101 CO 0.00 0.00 1.04 1.56 -1.11 0.00 0.00 177.39 178.88 1dwk h GLN 102 N 0.00 0.46 0.17 1.96 1.08 -1.55 0.13 115.11 117.36 1dwk h GLN 102 Ca 0.00 -0.06 -0.35 0.00 -1.45 0.00 0.00 58.65 56.79 1dwk h GLN 102 Cb 0.00 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1dwk h GLN 102 CO 0.00 0.41 -1.76 0.28 -0.95 0.00 0.00 178.83 176.81 1dwk h VAL 103 N 0.46 0.89 -0.18 -0.54 2.07 -1.31 -3.41 116.25 114.23 1dwk h VAL 103 Ca 0.11 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1dwk h VAL 103 Cb 0.14 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1dwk h VAL 103 CO -0.01 0.85 0.00 -1.22 0.02 0.00 0.00 177.57 177.21 1dwk n TYR 104 N -3.62 0.23 -0.16 1.57 4.01 -1.23 -4.71 117.16 113.26 1dwk n TYR 104 Ca -0.26 -0.28 -0.07 0.00 -0.16 0.00 0.00 57.90 57.13 1dwk n TYR 104 Cb 1.05 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 40.08 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 1.85 0.68 1.97 2.72 0.00 -0.97 0.10 103.07 109.42 1dwk h GLY 105 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 1dwk h GLY 105 CO 0.00 0.24 -0.53 -0.91 0.00 0.00 0.00 176.54 175.34 1dwk h THR 106 N 0.65 1.38 -0.40 4.70 1.35 -1.84 -1.74 112.91 117.00 1dwk h THR 106 Ca 0.18 -1.83 -0.13 0.00 -0.55 0.00 0.00 66.41 64.08 1dwk h THR 106 Cb -0.06 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1dwk h THR 106 CO -0.04 0.52 -0.28 0.74 -0.25 0.00 0.00 175.52 176.21 1dwk h THR 107 N 0.03 1.27 -0.44 6.82 2.02 -1.67 -0.08 112.91 120.86 1dwk h THR 107 Ca -0.00 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 1dwk h THR 107 Cb 0.95 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1dwk h THR 107 CO 0.07 0.48 0.27 -0.07 0.37 0.00 0.00 175.52 176.64 1dwk h LEU 108 N 0.74 0.52 -0.06 2.58 3.38 -0.64 0.30 115.31 122.13 1dwk h LEU 108 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dwk h LEU 108 Cb 0.84 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1dwk h LEU 108 CO 0.07 0.41 0.03 0.50 0.09 0.00 0.00 178.44 179.55 1dwk h LYS 109 N 0.58 0.07 -0.56 1.13 3.64 -1.16 0.13 116.57 120.41 1dwk h LYS 109 Ca 0.16 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1dwk h LYS 109 Cb -0.02 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1dwk h LYS 109 CO -0.03 0.05 0.31 0.00 -2.27 0.00 0.00 179.45 177.50 1dwk h ALA 110 N 1.02 0.71 0.00 5.00 0.00 -0.74 -1.18 119.26 124.07 1dwk h ALA 110 Ca 0.02 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1dwk h ALA 110 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1dwk h ALA 110 CO -0.01 0.23 -0.84 -0.07 0.00 0.00 0.00 179.25 178.56 1dwk h LEU 111 N 0.75 0.01 -0.32 0.00 3.38 -0.84 -1.31 115.31 116.97 1dwk h LEU 111 Ca 0.20 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1dwk h LEU 111 Cb 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1dwk h LEU 111 CO -0.03 0.84 0.08 0.58 0.09 0.00 0.00 178.44 180.00 1dwk h VAL 112 N 0.00 1.22 -0.64 1.22 2.07 -0.75 0.22 116.25 119.59 1dwk h VAL 112 Ca -0.01 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1dwk h VAL 112 Cb 1.48 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1dwk h VAL 112 CO 0.11 0.24 0.18 0.45 0.02 0.00 0.00 177.57 178.57 1dwk h HIS 113 N 0.35 1.06 -0.06 1.57 3.86 -1.11 -0.51 115.15 120.31 1dwk h HIS 113 Ca 0.10 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1dwk h HIS 113 Cb 0.28 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1dwk h HIS 113 CO 0.01 0.87 0.04 1.49 0.86 0.00 0.00 177.93 181.20 1dwk h GLU 114 N 0.94 0.09 0.02 2.45 4.81 -1.02 -0.98 114.58 120.88 1dwk h GLU 114 Ca 0.20 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.21 1dwk h GLU 114 Cb 0.33 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1dwk h GLU 114 CO -0.00 0.12 -1.00 0.87 -0.73 0.00 0.00 179.01 178.26 1dwk h LYS 115 N 0.03 0.04 0.00 1.92 1.57 -0.80 -3.41 116.57 115.93 1dwk h LYS 115 Ca 0.02 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 1dwk h LYS 115 Cb 0.05 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1dwk h LYS 115 CO -0.00 1.00 -1.67 1.19 -0.57 0.00 0.00 179.45 179.40 1dwk n PHE 116 N -3.41 0.00 0.00 -1.35 3.01 -0.21 -5.10 117.46 110.39 1dwk n PHE 116 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1dwk n PHE 116 Cb 0.93 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 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 2.51 0.49 3.77 1.37 0.00 -0.37 -5.03 105.19 107.93 1dwk n GLY 117 Ca -0.23 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.23 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 6.38 0.00 1.61 2.15 -1.26 -4.06 116.67 117.49 1dwk s ASP 118 Ca 0.00 2.35 0.00 0.00 0.43 0.00 0.00 52.55 55.33 1dwk s ASP 118 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1dwk s ASP 118 CO 0.00 -0.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.83 1dwk n GLY 119 N 0.56 0.76 3.23 2.66 0.00 -1.26 -1.19 105.19 109.95 1dwk n GLY 119 Ca 0.05 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.61 0.80 -0.28 -0.61 -4.36 -0.45 -4.88 121.20 108.82 1dwk s ILE 120 Ca 0.00 -1.99 -0.15 0.00 -0.26 0.00 0.00 60.65 58.25 1dwk s ILE 120 Cb 0.00 -1.96 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 1dwk s ILE 120 CO 0.00 -0.63 0.39 -0.63 0.24 0.00 0.00 174.94 174.31 1dwk s ILE 121 N -3.57 5.16 0.46 8.37 -1.09 -1.26 -0.95 121.20 128.32 1dwk s ILE 121 Ca 0.20 0.52 -0.24 0.00 -2.23 0.00 0.00 60.65 58.90 1dwk s ILE 121 Cb 0.05 -3.73 -0.07 0.00 -1.58 0.00 0.00 42.46 37.12 1dwk s ILE 121 CO 0.01 0.10 1.34 -0.55 -1.23 0.00 0.00 174.94 174.62 1dwk s SER 122 N 1.65 5.88 -0.09 3.58 0.15 0.18 -4.93 113.70 120.12 1dwk s SER 122 Ca 0.15 2.74 0.18 0.00 0.70 0.00 0.00 55.95 59.72 1dwk s SER 122 Cb -0.16 -2.64 0.67 0.00 -1.71 0.00 0.00 66.02 62.18 1dwk s SER 122 CO 0.10 -1.16 1.58 0.00 1.20 0.00 0.00 173.24 174.96 1dwk n ALA 123 N -0.35 2.90 -0.01 5.45 0.00 -1.26 -4.42 120.51 122.82 1dwk n ALA 123 Ca 0.06 -1.57 -0.05 0.00 0.00 0.00 0.00 53.44 51.88 1dwk n ALA 123 Cb 0.44 -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 1.05 1.05 -2.61 0.00 2.08 -1.26 -4.70 119.36 114.97 1dwk n ILE 124 Ca 0.24 0.17 -0.43 0.00 0.56 0.00 0.00 62.75 63.29 1dwk n ILE 124 Cb 0.81 -1.77 -0.01 0.00 -0.75 0.00 0.00 39.64 37.93 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 -5.92 6.75 -0.28 4.38 3.84 -1.26 -4.85 114.94 117.60 1dwk s ASN 125 Ca -0.11 -2.18 -0.23 0.00 0.21 0.00 0.00 52.86 50.55 1dwk s ASN 125 Cb 0.03 -2.56 0.09 0.00 -0.55 0.00 0.00 41.25 38.25 1dwk s ASN 125 CO 0.15 -1.23 0.80 0.12 -2.79 0.00 0.00 177.10 174.14 1dwk s PHE 126 N 4.20 -0.75 0.04 0.43 5.36 -1.26 -1.28 117.98 124.72 1dwk s PHE 126 Ca 0.50 1.75 -0.01 0.00 -0.96 0.00 0.00 56.93 58.21 1dwk s PHE 126 Cb 0.02 0.35 -0.03 0.00 -0.34 0.00 0.00 43.02 43.02 1dwk s PHE 126 CO 0.02 -0.36 -0.02 -1.59 -1.46 0.00 0.00 175.22 171.80 1dwk s LYS 127 N 0.59 0.55 0.10 10.12 -2.85 -0.24 -5.01 119.74 123.00 1dwk s LYS 127 Ca -0.01 -1.07 0.01 0.00 -1.00 0.00 0.00 55.97 53.90 1dwk s LYS 127 Cb -0.05 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 1dwk s LYS 127 CO -0.05 -0.10 -0.04 -0.48 0.10 0.00 0.00 175.35 174.79 1dwk s LEU 128 N -2.57 2.38 0.08 2.77 0.05 -1.26 -1.07 118.68 119.07 1dwk s LEU 128 Ca 0.02 -1.05 -0.09 0.00 0.05 0.00 0.00 54.13 53.06 1dwk s LEU 128 Cb 0.04 0.03 -0.00 0.00 -2.05 0.00 0.00 46.19 44.20 1dwk s LEU 128 CO -0.08 -0.54 0.19 1.51 -0.55 0.00 0.00 176.35 176.88 1dwk s ASP 129 N -3.03 0.11 -0.15 1.48 -4.77 -0.98 -4.85 116.67 104.49 1dwk s ASP 129 Ca 0.13 -0.62 0.02 0.00 -3.30 0.00 0.00 52.55 48.78 1dwk s ASP 129 Cb 0.06 0.33 0.01 0.00 -1.09 0.00 0.00 42.92 42.24 1dwk s ASP 129 CO -0.04 -0.71 -0.20 -0.69 0.70 0.00 0.00 175.17 174.22 1dwk s VAL 130 N -3.74 2.18 0.10 2.11 1.01 -1.26 -1.48 120.40 119.31 1dwk s VAL 130 Ca 0.04 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.18 1dwk s VAL 130 Cb 0.04 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1dwk s VAL 130 CO -0.10 0.54 -0.23 -0.54 0.00 0.00 0.00 175.10 174.76 1dwk s LYS 131 N 0.87 1.33 -0.19 2.72 1.02 -0.26 -4.99 119.74 120.25 1dwk s LYS 131 Ca -0.05 -1.18 -0.11 0.00 0.02 0.00 0.00 55.97 54.64 1dwk s LYS 131 Cb -0.15 -1.64 -0.05 0.00 -0.52 0.00 0.00 37.83 35.47 1dwk s LYS 131 CO -0.03 0.39 0.18 0.21 -0.92 0.00 0.00 175.35 175.19 1dwk s LYS 132 N -1.77 4.21 -0.01 1.68 2.20 -1.26 -0.87 119.74 123.91 1dwk s LYS 132 Ca 0.10 -0.12 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 1dwk s LYS 132 Cb -0.10 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1dwk s LYS 132 CO 0.04 0.27 -0.12 0.08 -0.36 0.00 0.00 175.35 175.26 1dwk s VAL 133 N 0.42 0.98 0.31 4.02 1.01 -0.14 -4.97 120.40 122.02 1dwk s VAL 133 Ca 0.11 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1dwk s VAL 133 Cb -0.12 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.34 1dwk s VAL 133 CO -0.00 0.28 1.32 0.00 0.00 0.00 0.00 175.10 176.70 1dwk s ALA 134 N -0.18 3.51 -0.09 5.51 0.00 -1.26 -0.02 121.76 129.23 1dwk s ALA 134 Ca 0.03 1.25 -0.23 0.00 0.00 0.00 0.00 51.96 53.01 1dwk s ALA 134 Cb -0.06 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1dwk s ALA 134 CO -0.00 -0.63 0.68 0.34 0.00 0.00 0.00 175.76 176.14 1dwk s ASP 135 N -0.34 6.93 0.52 0.00 -1.08 0.09 -4.73 116.67 118.06 1dwk s ASP 135 Ca 0.51 1.12 0.18 0.00 -0.52 0.00 0.00 52.55 53.83 1dwk s ASP 135 Cb -0.40 -2.40 1.31 0.00 -1.46 0.00 0.00 42.92 39.98 1dwk s ASP 135 CO 0.50 -0.13 2.13 -0.65 0.52 0.00 0.00 175.17 177.54 1dwk h PRO 136 N 6.85 0.00 -0.02 4.34 0.11 -1.94 -1.22 132.00 140.12 1dwk h PRO 136 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 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 0.76 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.94 1dwk n GLU 137 N -4.48 1.25 0.00 1.05 1.02 -1.26 -4.99 120.64 113.23 1dwk n GLU 137 Ca -0.01 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 1dwk n GLU 137 Cb 0.17 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.03 3.31 4.34 0.62 0.00 -0.46 -5.13 105.19 108.90 1dwk n GLY 138 Ca 0.20 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.00 -0.77 3.04 -0.02 0.00 -1.26 -4.59 105.19 101.59 1dwk n GLY 139 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 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 0.48 0.14 1.61 2.02 -1.26 -0.73 118.70 120.96 1dwk s GLU 140 Ca 0.00 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.21 1dwk s GLU 140 Cb 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 1dwk s GLU 140 CO 0.00 -0.04 -0.19 1.03 0.02 0.00 0.00 175.26 176.08 1dwk s ARG 141 N -2.29 1.19 -0.15 1.61 0.52 0.97 -4.75 118.95 116.06 1dwk s ARG 141 Ca -0.07 -1.29 -0.07 0.00 -0.52 0.00 0.00 55.73 53.78 1dwk s ARG 141 Cb -0.04 -1.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.06 1dwk s ARG 141 CO -0.03 0.29 0.09 0.00 0.02 0.00 0.00 175.30 175.66 1dwk s ALA 142 N -1.68 3.58 -0.33 2.13 0.00 -1.26 -0.97 121.76 123.23 1dwk s ALA 142 Ca 0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 1dwk s ALA 142 Cb -0.07 -1.91 0.05 0.00 0.00 0.00 0.00 23.12 21.19 1dwk s ALA 142 CO 0.05 0.37 0.07 0.08 0.00 0.00 0.00 175.76 176.33 1dwk s VAL 143 N -0.24 3.43 -0.21 0.00 1.01 -0.05 -4.97 120.40 119.36 1dwk s VAL 143 Ca 0.09 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 1dwk s VAL 143 Cb -0.12 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1dwk s VAL 143 CO 0.01 -0.18 -0.03 -0.63 0.00 0.00 0.00 175.10 174.26 1dwk s ILE 144 N 1.33 3.50 -0.24 2.22 1.01 -1.26 -1.10 121.20 126.67 1dwk s ILE 144 Ca -0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 1dwk s ILE 144 Cb -0.20 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1dwk s ILE 144 CO 0.01 0.43 0.04 -0.89 0.00 0.00 0.00 174.94 174.52 1dwk s THR 145 N 1.33 4.08 -0.23 2.92 2.01 -0.55 -4.97 115.64 120.23 1dwk s THR 145 Ca 0.04 -0.25 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 1dwk s THR 145 Cb -0.14 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1dwk s THR 145 CO -0.01 0.37 0.15 -0.76 -0.69 0.00 0.00 174.62 173.68 1dwk s LEU 146 N 1.50 4.13 -0.27 4.42 1.43 -1.26 -2.32 118.68 126.30 1dwk s LEU 146 Ca 0.06 0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1dwk s LEU 146 Cb -0.15 -2.10 0.09 0.00 0.03 0.00 0.00 46.19 44.06 1dwk s LEU 146 CO 0.02 0.08 0.09 -0.62 0.23 0.00 0.00 176.35 176.16 1dwk s ASP 147 N 0.95 3.54 0.04 2.29 -1.08 -0.23 -5.02 116.67 117.16 1dwk s ASP 147 Ca 0.08 -1.29 0.05 0.00 -0.52 0.00 0.00 52.55 50.87 1dwk s ASP 147 Cb -0.13 -0.61 -0.02 0.00 -1.46 0.00 0.00 42.92 40.70 1dwk s ASP 147 CO 0.03 -0.40 -0.15 -0.83 0.52 0.00 0.00 175.17 174.35 1dwk s GLY 148 N 1.85 0.86 0.33 2.66 0.00 -1.26 -1.07 107.32 110.68 1dwk s GLY 148 Ca 0.07 -0.87 -0.28 0.00 0.00 0.00 0.00 44.72 43.63 1dwk s GLY 148 CO -0.24 -0.84 1.20 1.25 0.00 0.00 0.00 173.10 174.47 1dwk s LYS 149 N -1.15 4.38 -0.06 2.90 2.47 -0.40 -4.65 119.74 123.24 1dwk s LYS 149 Ca 0.03 1.97 -0.30 0.00 -1.56 0.00 0.00 55.97 56.11 1dwk s LYS 149 Cb -0.08 -3.01 -0.02 0.00 -1.46 0.00 0.00 37.83 33.26 1dwk s LYS 149 CO 0.01 -0.08 1.03 -0.47 0.16 0.00 0.00 175.35 176.00 1dwk s TYR 150 N -1.22 3.53 -0.17 4.03 5.04 -1.26 -0.65 117.35 126.65 1dwk s TYR 150 Ca 0.49 1.58 -0.01 0.00 -2.44 0.00 0.00 57.07 56.69 1dwk s TYR 150 Cb -0.35 -3.20 -0.01 0.00 0.35 0.00 0.00 41.96 38.75 1dwk s TYR 150 CO 0.45 -0.32 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.72 1dwk s LEU 151 N 1.64 2.68 0.43 6.97 1.43 -0.12 -4.97 118.68 126.73 1dwk s LEU 151 Ca 0.51 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 1dwk s LEU 151 Cb -0.20 -1.63 -0.11 0.00 0.03 0.00 0.00 46.19 44.28 1dwk s LEU 151 CO 0.22 0.08 0.96 -2.16 0.23 0.00 0.00 176.35 175.68 1dwk s PRO 152 N 0.89 4.19 -0.35 1.29 0.04 -1.26 -1.34 135.00 138.46 1dwk s PRO 152 Ca -0.03 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 1dwk s PRO 152 Cb -0.15 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1dwk s PRO 152 CO -0.00 -0.07 0.22 0.99 0.04 0.00 0.00 177.00 178.17 1dwk s THR 153 N -2.12 4.94 0.22 1.26 2.01 -0.33 -4.85 115.64 116.78 1dwk s THR 153 Ca 0.62 -0.46 0.12 0.00 0.31 0.00 0.00 61.69 62.27 1dwk s THR 153 Cb -0.11 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1dwk s THR 153 CO 0.15 -0.07 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.24 1dwk s LYS 154 N 1.65 1.58 0.70 4.92 1.02 -1.26 -4.61 119.74 123.74 1dwk s LYS 154 Ca 0.05 -1.61 -0.15 0.00 0.02 0.00 0.00 55.97 54.27 1dwk s LYS 154 Cb -0.18 -1.82 0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1dwk s LYS 154 CO 0.08 0.37 1.16 -2.14 -0.92 0.00 0.00 175.35 173.91 1dwk s PRO 155 N -2.97 2.41 0.00 -1.68 0.02 -1.26 -5.21 135.00 126.31 1dwk s PRO 155 Ca 0.24 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1dwk s PRO 155 Cb -0.07 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1dwk s PRO 155 CO 0.12 -1.59 0.00 1.97 -0.33 0.00 0.00 177.00 177.17