#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 1.24 0.12 9.51 -1.52 -1.26 -5.08 119.66 122.67 1dwk s GLN 3 Ca 0.00 -0.39 0.05 0.00 -1.95 0.00 0.00 55.36 53.07 1dwk s GLN 3 Cb 0.00 -1.12 -0.04 0.00 -0.22 0.00 0.00 33.01 31.64 1dwk s GLN 3 CO 0.00 0.14 -0.13 -1.54 -0.25 0.00 0.00 175.29 173.51 1dwk s SER 4 N 0.19 1.86 0.18 5.90 1.04 -1.26 -0.70 113.70 120.91 1dwk s SER 4 Ca -0.04 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1dwk s SER 4 Cb -0.10 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 1dwk s SER 4 CO 0.01 -0.18 0.36 -1.10 0.98 0.00 0.00 173.24 173.31 1dwk s GLN 5 N -2.73 3.50 0.00 4.02 -1.52 0.18 -4.87 119.66 118.23 1dwk s GLN 5 Ca 0.08 -0.41 0.00 0.00 -1.95 0.00 0.00 55.36 53.08 1dwk s GLN 5 Cb -0.04 -2.88 0.00 0.00 -0.22 0.00 0.00 33.01 29.87 1dwk s GLN 5 CO 0.02 0.44 0.24 0.44 -0.25 0.00 0.00 175.29 176.18 1dwk n ILE 6 N -0.60 0.00 -3.92 1.08 -5.35 -1.26 -3.98 119.36 105.33 1dwk n ILE 6 Ca -0.05 -0.37 -0.29 0.00 -0.27 0.00 0.00 62.75 61.77 1dwk n ILE 6 Cb 0.54 1.17 -0.16 0.00 -1.74 0.00 0.00 39.64 39.45 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 -0.26 2.85 0.57 7.28 2.47 -1.26 -4.94 114.94 121.65 1dwk s ASN 7 Ca 0.00 -0.65 0.37 0.00 0.42 0.00 0.00 52.86 53.00 1dwk s ASN 7 Cb 0.00 -0.99 1.74 0.00 -1.45 0.00 0.00 41.25 40.55 1dwk s ASN 7 CO 0.00 -0.16 2.10 0.08 -3.72 0.00 0.00 177.10 175.40 1dwk h ARG 8 N 8.09 0.00 0.00 0.43 0.11 -1.95 -2.96 114.38 118.10 1dwk h ARG 8 Ca -0.27 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.77 1dwk h ARG 8 Cb 1.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 1dwk h ARG 8 CO 0.43 0.00 -0.21 -0.91 0.10 0.00 0.00 179.97 179.38 1dwk h ASN 9 N 0.00 0.00 0.10 0.08 2.35 -1.95 -0.54 115.58 115.61 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 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1dwk h ASN 9 CO 0.00 0.21 -0.05 0.40 -1.65 0.00 0.00 177.43 176.34 1dwk h ILE 10 N 0.00 0.92 0.00 2.81 1.08 -1.96 0.44 117.51 120.81 1dwk h ILE 10 Ca -0.00 -0.06 -0.12 0.00 -0.39 0.00 0.00 64.86 64.28 1dwk h ILE 10 Cb 0.48 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1dwk h ILE 10 CO 0.03 0.02 -0.58 0.03 -0.69 0.00 0.00 178.15 176.96 1dwk h ARG 11 N -0.16 0.00 -0.04 2.37 2.47 -1.69 -2.07 114.38 115.26 1dwk h ARG 11 Ca -0.01 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.54 1dwk h ARG 11 Cb 0.12 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1dwk h ARG 11 CO 0.02 0.58 -0.70 -0.07 0.56 0.00 0.00 179.97 180.36 1dwk h LEU 12 N 0.00 0.26 -0.94 3.04 3.38 -0.97 0.09 115.31 120.18 1dwk h LEU 12 Ca -0.01 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1dwk h LEU 12 Cb 1.18 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1dwk h LEU 12 CO 0.07 0.88 0.16 0.44 0.09 0.00 0.00 178.44 180.08 1dwk h ASP 13 N 0.15 0.88 -0.73 -0.43 3.32 -0.82 -1.81 116.42 116.98 1dwk h ASP 13 Ca -0.02 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1dwk h ASP 13 Cb 1.24 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1dwk h ASP 13 CO 0.11 0.84 0.32 0.25 -1.72 0.00 0.00 179.24 179.04 1dwk h LEU 14 N 0.90 0.98 -0.67 1.55 5.85 -1.19 -2.23 115.31 120.50 1dwk h LEU 14 Ca 0.20 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1dwk h LEU 14 Cb 0.30 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1dwk h LEU 14 CO -0.00 0.86 0.43 0.00 -0.34 0.00 0.00 178.44 179.39 1dwk h ALA 15 N 1.16 0.86 -0.58 1.25 0.00 -0.43 0.30 119.26 121.82 1dwk h ALA 15 Ca 0.25 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1dwk h ALA 15 Cb 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1dwk h ALA 15 CO -0.03 0.23 0.34 -0.44 0.00 0.00 0.00 179.25 179.35 1dwk h ASP 16 N 0.86 0.54 -0.52 0.00 3.32 -0.96 -0.16 116.42 119.50 1dwk h ASP 16 Ca 0.26 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 1dwk h ASP 16 Cb -0.04 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1dwk h ASP 16 CO -0.08 0.37 0.25 0.00 -1.72 0.00 0.00 179.24 178.06 1dwk h ALA 17 N 1.27 0.68 -0.57 3.45 0.00 -0.81 -1.09 119.26 122.18 1dwk h ALA 17 Ca 0.24 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1dwk h ALA 17 Cb 0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1dwk h ALA 17 CO -0.12 0.24 0.31 0.82 0.00 0.00 0.00 179.25 180.49 1dwk h ILE 18 N 0.70 0.98 -0.21 0.00 2.04 -0.58 -1.22 117.51 119.22 1dwk h ILE 18 Ca 0.18 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1dwk h ILE 18 Cb 0.12 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1dwk h ILE 18 CO -0.02 0.11 -0.25 -0.07 0.00 0.00 0.00 178.15 177.91 1dwk h LEU 19 N 0.59 0.39 -0.27 1.44 3.38 -0.65 0.13 115.31 120.32 1dwk h LEU 19 Ca 0.25 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1dwk h LEU 19 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1dwk h LEU 19 CO -0.15 0.64 -0.08 0.25 0.09 0.00 0.00 178.44 179.19 1dwk h LEU 20 N 0.35 0.54 -0.54 1.67 5.85 -0.72 -1.05 115.31 121.40 1dwk h LEU 20 Ca 0.05 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1dwk h LEU 20 Cb 0.63 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1dwk h LEU 20 CO 0.05 0.80 0.35 -1.28 -0.34 0.00 0.00 178.44 178.02 1dwk h SER 21 N 0.28 0.63 -0.69 1.25 0.87 -1.01 0.10 113.55 114.98 1dwk h SER 21 Ca 0.07 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1dwk h SER 21 Cb 0.57 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 1dwk h SER 21 CO 0.03 0.46 0.44 0.50 -0.53 0.00 0.00 176.83 177.74 1dwk h LYS 22 N 0.73 0.87 -0.38 2.24 3.64 -0.67 -1.38 116.57 121.62 1dwk h LYS 22 Ca 0.20 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.37 1dwk h LYS 22 Cb -0.07 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1dwk h LYS 22 CO -0.04 0.57 -0.36 0.00 -2.27 0.00 0.00 179.45 177.35 1dwk h ALA 23 N 1.27 0.65 -0.28 5.00 0.00 -0.79 -0.41 119.26 124.69 1dwk h ALA 23 Ca 0.26 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1dwk h ALA 23 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1dwk h ALA 23 CO -0.08 0.67 -0.11 0.87 0.00 0.00 0.00 179.25 180.60 1dwk h LYS 24 N 0.73 0.47 -0.00 0.00 1.57 -0.60 -2.04 116.57 116.71 1dwk h LYS 24 Ca 0.07 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1dwk h LYS 24 Cb 0.94 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1dwk h LYS 24 CO 0.09 0.58 -0.18 1.63 -0.57 0.00 0.00 179.45 181.00 1dwk n LYS 25 N -4.22 0.25 -3.63 3.15 5.02 -0.55 -4.96 118.16 113.22 1dwk n LYS 25 Ca 0.01 -0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 55.99 1dwk n LYS 25 Cb 0.31 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.30 -3.07 -4.94 4.39 2.03 -0.24 -4.99 116.55 108.43 1dwk n ASP 26 Ca 0.09 -0.69 -0.26 0.00 0.52 0.00 0.00 54.79 54.45 1dwk n ASP 26 Cb 0.31 -4.56 -0.03 0.00 -0.72 0.00 0.00 41.12 36.12 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 -6.80 4.31 0.18 -2.67 1.43 -0.72 -5.04 118.68 109.37 1dwk s LEU 27 Ca 0.23 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1dwk s LEU 27 Cb -0.11 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 1dwk s LEU 27 CO 0.77 0.04 0.28 -0.94 0.23 0.00 0.00 176.35 176.73 1dwk s SER 28 N -3.30 6.17 0.26 2.29 1.04 -1.26 -4.80 113.70 114.10 1dwk s SER 28 Ca 0.34 0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.81 1dwk s SER 28 Cb -0.11 -1.80 0.35 0.00 0.10 0.00 0.00 66.02 64.56 1dwk s SER 28 CO 0.28 0.01 1.89 -0.26 0.98 0.00 0.00 173.24 176.15 1dwk h PHE 29 N 1.86 1.20 -0.73 5.02 0.04 -1.99 -1.78 116.94 120.56 1dwk h PHE 29 Ca -0.49 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.33 1dwk h PHE 29 Cb 1.21 -0.40 -0.04 0.00 2.20 0.00 0.00 35.95 38.92 1dwk h PHE 29 CO 0.52 0.67 0.47 0.00 -0.60 0.00 0.00 178.31 179.36 1dwk h ALA 30 N 1.42 0.94 -0.02 2.45 0.00 -1.95 -1.87 119.26 120.22 1dwk h ALA 30 Ca 0.40 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 1dwk h ALA 30 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1dwk h ALA 30 CO -0.14 0.28 -0.68 1.05 0.00 0.00 0.00 179.25 179.76 1dwk h GLU 31 N 0.93 0.11 -0.40 0.00 4.11 -1.87 -1.49 114.58 115.97 1dwk h GLU 31 Ca 0.28 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 59.54 1dwk h GLU 31 Cb -0.03 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1dwk h GLU 31 CO -0.09 0.75 -0.08 0.82 0.07 0.00 0.00 179.01 180.48 1dwk h ILE 32 N 0.08 1.24 0.00 -1.06 2.04 -1.10 -2.70 117.51 116.01 1dwk h ILE 32 Ca -0.01 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1dwk h ILE 32 Cb 1.21 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1dwk h ILE 32 CO 0.10 0.36 -0.49 0.00 0.00 0.00 0.00 178.15 178.13 1dwk h ALA 33 N 1.28 0.77 -2.45 1.87 0.00 -1.09 -3.45 119.26 116.19 1dwk h ALA 33 Ca 0.12 -0.11 -0.55 0.00 0.00 0.00 0.00 54.91 54.37 1dwk h ALA 33 Cb 0.52 0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.37 1dwk h ALA 33 CO 0.03 0.13 0.92 -3.47 0.00 0.00 0.00 179.25 176.86 1dwk n ASP 34 N -2.96 3.56 0.00 0.00 2.03 -0.58 -2.12 116.55 116.48 1dwk n ASP 34 Ca 0.02 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1dwk n ASP 34 Cb 0.58 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 3.74 0.37 0.14 0.27 0.00 -1.26 -4.91 105.19 103.54 1dwk n GLY 35 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.03 0.00 2.61 2.02 -1.74 -3.48 112.91 112.36 1dwk h THR 36 Ca 0.00 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1dwk h THR 36 Cb 0.00 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1dwk h THR 36 CO 0.00 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.52 1dwk n GLY 37 N 1.17 0.49 3.43 2.16 0.00 -1.26 -4.86 105.19 106.32 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 0.00 2.46 0.54 0.99 1.43 -1.26 -5.11 118.68 117.72 1dwk s LEU 38 Ca 0.00 -0.72 -0.22 0.00 -1.03 0.00 0.00 54.13 52.16 1dwk s LEU 38 Cb 0.00 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 1dwk s LEU 38 CO 0.00 0.17 1.38 0.00 0.23 0.00 0.00 176.35 178.13 1dwk n ALA 39 N 0.74 1.70 -0.13 4.21 0.00 -1.26 -4.82 120.51 120.94 1dwk n ALA 39 Ca -0.16 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1dwk n ALA 39 Cb 0.54 -2.37 0.39 0.00 0.00 0.00 0.00 19.45 18.00 1dwk n ALA 39 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1dwk h GLU 40 N 1.55 0.64 -0.47 0.00 4.11 -1.93 -1.06 114.58 117.43 1dwk h GLU 40 Ca -0.51 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 58.80 1dwk h GLU 40 Cb 1.30 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1dwk h GLU 40 CO 0.58 0.43 -0.03 0.00 0.07 0.00 0.00 179.01 180.06 1dwk h ALA 41 N 1.65 1.08 -0.05 1.06 0.00 -1.91 -0.01 119.26 121.07 1dwk h ALA 41 Ca 0.27 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1dwk h ALA 41 Cb 0.24 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dwk h ALA 41 CO -0.08 0.58 -0.36 0.35 0.00 0.00 0.00 179.25 179.74 1dwk h PHE 42 N 0.73 0.46 -0.55 0.00 3.57 -1.60 -1.68 116.94 117.87 1dwk h PHE 42 Ca 0.14 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 1dwk h PHE 42 Cb 0.48 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1dwk h PHE 42 CO 0.03 0.97 0.08 0.28 -2.23 0.00 0.00 178.31 177.44 1dwk h VAL 43 N -0.18 1.25 -0.54 1.41 2.07 -1.19 -1.31 116.25 117.75 1dwk h VAL 43 Ca -0.03 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1dwk h VAL 43 Cb 1.03 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1dwk h VAL 43 CO 0.07 0.35 0.30 0.74 0.02 0.00 0.00 177.57 179.06 1dwk h THR 44 N 0.80 1.18 -0.63 2.57 2.02 -1.05 -1.22 112.91 116.58 1dwk h THR 44 Ca 0.17 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1dwk h THR 44 Cb 0.42 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1dwk h THR 44 CO 0.01 0.19 0.38 0.00 0.37 0.00 0.00 175.52 176.47 1dwk h ALA 45 N 1.14 0.82 -0.41 6.16 0.00 -1.08 -0.96 119.26 124.92 1dwk h ALA 45 Ca 0.19 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1dwk h ALA 45 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1dwk h ALA 45 CO -0.03 0.11 0.23 0.00 0.00 0.00 0.00 179.25 179.55 1dwk h ALA 46 N 1.28 0.51 -0.58 0.00 0.00 -0.62 0.79 119.26 120.64 1dwk h ALA 46 Ca 0.26 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1dwk h ALA 46 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1dwk h ALA 46 CO -0.12 -0.12 0.39 -0.07 0.00 0.00 0.00 179.25 179.33 1dwk h LEU 47 N 0.46 0.49 -2.12 0.00 3.38 -0.52 -1.31 115.31 115.68 1dwk h LEU 47 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1dwk h LEU 47 Cb 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1dwk h LEU 47 CO -0.10 0.32 0.00 0.18 0.09 0.00 0.00 178.44 178.93 1dwk n LEU 48 N -4.47 3.17 0.00 1.67 4.77 -0.43 -4.18 117.00 117.52 1dwk n LEU 48 Ca 0.08 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 1dwk n LEU 48 Cb 0.24 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1dwk n LEU 48 CO 0.34 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1dwk n GLY 49 N 0.79 0.85 0.12 -0.72 0.00 -0.49 -4.84 105.19 100.89 1dwk n GLY 49 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 1.20 -4.10 1.61 1.13 0.21 -4.69 117.38 110.44 1dwk n GLN 50 Ca 0.00 -0.55 -0.10 0.00 -1.94 0.00 0.00 57.00 54.41 1dwk n GLN 50 Cb 0.00 -0.97 -0.09 0.00 0.11 0.00 0.00 30.24 29.29 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 -0.60 1.16 -0.11 -1.09 -1.52 -1.22 -4.80 119.66 111.48 1dwk s GLN 51 Ca 0.04 -1.41 -0.04 0.00 -1.95 0.00 0.00 55.36 51.99 1dwk s GLN 51 Cb 0.03 0.32 -0.04 0.00 -0.22 0.00 0.00 33.01 33.10 1dwk s GLN 51 CO 0.08 -0.40 0.06 0.00 -0.25 0.00 0.00 175.29 174.78 1dwk s ALA 52 N -4.06 3.52 -0.02 6.09 0.00 -1.26 -4.34 121.76 121.68 1dwk s ALA 52 Ca 0.27 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 1dwk s ALA 52 Cb 0.05 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 1dwk s ALA 52 CO 0.06 0.55 0.41 -0.51 0.00 0.00 0.00 175.76 176.26 1dwk s LEU 53 N -0.78 4.44 0.93 0.00 1.43 -0.20 -4.98 118.68 119.51 1dwk s LEU 53 Ca 0.13 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 1dwk s LEU 53 Cb -0.12 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 43.60 1dwk s LEU 53 CO 0.03 0.28 0.73 -2.65 0.23 0.00 0.00 176.35 174.96 1dwk n PRO 54 N 2.11 -0.32 -0.22 1.29 -0.02 -1.26 -4.15 135.00 132.44 1dwk n PRO 54 Ca -0.13 -0.04 -0.08 0.00 -2.02 0.00 0.00 63.50 61.23 1dwk n PRO 54 Cb 0.52 -2.08 0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.63 0.81 -0.72 3.55 0.00 -1.98 -0.67 119.26 118.63 1dwk h ALA 55 Ca -0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1dwk h ALA 55 Cb 1.28 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1dwk h ALA 55 CO 0.38 0.51 0.37 -0.44 0.00 0.00 0.00 179.25 180.06 1dwk h ASP 56 N 0.89 0.92 -0.43 0.00 3.32 -2.00 -0.65 116.42 118.47 1dwk h ASP 56 Ca 0.19 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1dwk h ASP 56 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1dwk h ASP 56 CO 0.00 0.77 -0.01 0.00 -1.72 0.00 0.00 179.24 178.28 1dwk h ALA 57 N 1.18 1.05 -0.56 3.45 0.00 -1.78 -1.26 119.26 121.34 1dwk h ALA 57 Ca 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1dwk h ALA 57 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1dwk h ALA 57 CO -0.04 0.59 0.28 0.00 0.00 0.00 0.00 179.25 180.09 1dwk h ALA 58 N 1.21 0.71 -0.45 0.00 0.00 -0.66 -0.98 119.26 119.10 1dwk h ALA 58 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1dwk h ALA 58 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1dwk h ALA 58 CO 0.02 0.26 0.19 0.00 0.00 0.00 0.00 179.25 179.72 1dwk h ARG 59 N 0.75 0.66 0.11 0.00 3.08 -0.89 -0.70 114.38 117.38 1dwk h ARG 59 Ca 0.19 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1dwk h ARG 59 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1dwk h ARG 59 CO -0.03 0.59 -0.08 1.25 -1.07 0.00 0.00 179.97 180.63 1dwk h LEU 60 N 0.58 -0.21 -1.05 3.04 5.85 -0.99 -1.05 115.31 121.47 1dwk h LEU 60 Ca 0.15 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1dwk h LEU 60 Cb 0.17 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1dwk h LEU 60 CO -0.01 -0.13 -0.29 -0.37 -0.34 0.00 0.00 178.44 177.29 1dwk h VAL 61 N -0.20 1.26 -0.53 1.05 -1.51 -1.20 -2.03 116.25 113.11 1dwk h VAL 61 Ca -0.00 -1.27 -0.03 0.00 -1.23 0.00 0.00 66.70 64.17 1dwk h VAL 61 Cb 0.18 1.47 -0.03 0.00 -2.13 0.00 0.00 31.29 30.78 1dwk h VAL 61 CO -0.01 0.39 0.22 1.23 -1.23 0.00 0.00 177.57 178.17 1dwk h GLY 62 N 1.05 0.81 0.73 5.19 0.00 -0.90 -1.24 103.07 108.71 1dwk h GLY 62 Ca 0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1dwk h GLY 62 CO 0.05 0.38 -0.19 0.00 0.00 0.00 0.00 176.54 176.77 1dwk h ALA 63 N 1.49 0.20 -0.88 3.60 0.00 -0.80 0.16 119.26 123.03 1dwk h ALA 63 Ca 0.18 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.83 1dwk h ALA 63 Cb 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1dwk h ALA 63 CO -0.02 0.13 0.57 0.87 0.00 0.00 0.00 179.25 180.80 1dwk h LYS 64 N -0.04 0.84 -0.10 0.00 1.57 -0.93 -2.67 116.57 115.24 1dwk h LYS 64 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1dwk h LYS 64 Cb 0.76 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1dwk h LYS 64 CO 0.04 0.56 0.00 1.28 -0.57 0.00 0.00 179.45 180.76 1dwk n LEU 65 N -4.53 2.92 -3.58 2.94 4.77 -0.51 -4.97 117.00 114.05 1dwk n LEU 65 Ca 0.15 -1.11 -0.21 0.00 -0.03 0.00 0.00 56.01 54.81 1dwk n LEU 65 Cb 0.31 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1dwk n LEU 65 CO 0.31 0.53 0.09 0.47 -1.33 0.00 0.00 177.39 177.47 1dwk n ASP 66 N 1.25 -3.00 -4.90 -1.43 8.00 -0.25 -4.89 116.55 111.33 1dwk n ASP 66 Ca 0.14 -0.67 -0.28 0.00 0.71 0.00 0.00 54.79 54.69 1dwk n ASP 66 Cb 0.55 -4.72 -0.00 0.00 -0.02 0.00 0.00 41.12 36.92 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 -6.73 3.60 0.76 0.64 1.43 0.39 -5.04 118.68 113.73 1dwk s LEU 67 Ca 0.19 1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 54.25 1dwk s LEU 67 Cb -0.09 -3.99 0.10 0.00 0.03 0.00 0.00 46.19 42.25 1dwk s LEU 67 CO 0.76 -0.59 1.07 1.51 0.23 0.00 0.00 176.35 179.33 1dwk s ASP 68 N -3.97 4.36 0.25 2.29 1.47 -1.26 -4.81 116.67 115.00 1dwk s ASP 68 Ca 0.49 0.23 0.04 0.00 1.18 0.00 0.00 52.55 54.50 1dwk s ASP 68 Cb -0.10 -0.70 0.31 0.00 -0.34 0.00 0.00 42.92 42.09 1dwk s ASP 68 CO 0.44 -1.89 1.61 -0.33 0.68 0.00 0.00 175.17 175.68 1dwk h GLU 69 N -0.80 0.28 -0.23 2.11 4.39 -1.99 -1.61 114.58 116.73 1dwk h GLU 69 Ca -0.43 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.04 1dwk h GLU 69 Cb 1.29 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1dwk h GLU 69 CO 0.51 0.73 -0.17 -0.44 -1.16 0.00 0.00 179.01 178.48 1dwk h ASP 70 N 0.22 0.38 -0.01 1.42 3.32 -1.99 -1.35 116.42 118.41 1dwk h ASP 70 Ca 0.01 -0.10 -0.20 0.00 0.02 0.00 0.00 57.03 56.75 1dwk h ASP 70 Cb 0.99 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1dwk h ASP 70 CO 0.08 0.57 -0.72 0.28 -1.72 0.00 0.00 179.24 177.74 1dwk h SER 71 N 0.36 0.76 -0.80 6.45 0.02 -1.80 0.51 113.55 119.06 1dwk h SER 71 Ca 0.07 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1dwk h SER 71 Cb 0.51 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1dwk h SER 71 CO 0.03 1.25 0.53 0.40 -1.14 0.00 0.00 176.83 177.90 1dwk h ILE 72 N 0.46 1.21 -0.58 3.27 2.04 -1.05 -1.55 117.51 121.30 1dwk h ILE 72 Ca -0.03 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1dwk h ILE 72 Cb 1.32 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1dwk h ILE 72 CO 0.14 0.20 0.16 0.25 0.00 0.00 0.00 178.15 178.90 1dwk h LEU 73 N 1.08 0.87 -0.95 1.44 5.85 -0.97 -3.06 115.31 119.57 1dwk h LEU 73 Ca 0.29 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1dwk h LEU 73 Cb -0.12 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 1dwk h LEU 73 CO -0.06 0.86 0.30 -0.07 -0.34 0.00 0.00 178.44 179.13 1dwk h LEU 74 N 0.83 0.97 -2.12 2.25 3.38 -0.41 -1.79 115.31 118.43 1dwk h LEU 74 Ca 0.18 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1dwk h LEU 74 Cb 0.32 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1dwk h LEU 74 CO -0.00 0.86 0.04 -0.07 0.09 0.00 0.00 178.44 179.36 1dwk h LEU 75 N 1.04 0.00 -6.93 1.67 3.38 -1.19 -3.45 115.31 109.83 1dwk h LEU 75 Ca 0.24 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.52 1dwk h LEU 75 Cb 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1dwk h LEU 75 CO -0.02 0.00 2.60 0.00 0.09 0.00 0.00 178.44 181.11 1dwk n GLN 76 N -4.33 3.06 -4.56 1.13 6.02 -0.68 -1.04 117.38 116.99 1dwk n GLN 76 Ca -0.02 -3.00 -0.33 0.00 -0.01 0.00 0.00 57.00 53.64 1dwk n GLN 76 Cb 0.14 -3.36 -0.14 0.00 1.02 0.00 0.00 30.24 27.90 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 3.49 3.18 0.62 5.09 -1.09 0.12 -4.66 121.20 127.95 1dwk s ILE 78 Ca 0.50 -0.60 -0.10 0.00 -2.23 0.00 0.00 60.65 58.21 1dwk s ILE 78 Cb 0.09 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.57 1dwk s ILE 78 CO -0.00 0.50 1.01 -2.16 -1.23 0.00 0.00 174.94 173.06 1dwk s PRO 79 N 0.58 3.44 -0.66 2.79 0.04 -1.26 -0.65 135.00 139.27 1dwk s PRO 79 Ca -0.07 0.62 -0.24 0.00 0.04 0.00 0.00 61.00 61.35 1dwk s PRO 79 Cb -0.15 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1dwk s PRO 79 CO 0.03 -0.62 1.04 -1.17 0.04 0.00 0.00 177.00 176.32 1dwk s LEU 80 N -5.16 4.06 0.52 -3.56 1.98 -1.26 -4.75 118.68 110.51 1dwk s LEU 80 Ca 0.55 -0.77 -0.16 0.00 -2.89 0.00 0.00 54.13 50.86 1dwk s LEU 80 Cb -0.11 -2.51 -0.08 0.00 0.66 0.00 0.00 46.19 44.15 1dwk s LEU 80 CO 0.52 -1.51 0.98 -0.13 -1.89 0.00 0.00 176.35 174.33 1dwk s ARG 81 N 4.44 3.93 0.00 1.98 0.52 -1.26 -4.43 118.95 124.13 1dwk s ARG 81 Ca 0.26 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 1dwk s ARG 81 Cb -0.14 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.19 1dwk s ARG 81 CO 0.13 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1dwk n GLY 82 N -1.63 1.78 0.04 -3.53 0.00 -1.26 -5.05 105.19 95.54 1dwk n GLY 82 Ca 0.06 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.16 5.00 0.12 0.00 1.01 -1.26 -4.96 121.20 117.94 1dwk s ILE 84 Ca 0.05 1.61 -0.20 0.00 0.00 0.00 0.00 60.65 62.11 1dwk s ILE 84 Cb 0.15 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1dwk s ILE 84 CO 0.77 0.23 1.72 -0.78 0.00 0.00 0.00 174.94 176.88 1dwk h ASP 85 N 6.76 -0.12 -1.34 3.58 3.58 -1.90 -3.37 116.42 123.60 1dwk h ASP 85 Ca -0.41 0.05 -0.43 0.00 0.42 0.00 0.00 57.03 56.65 1dwk h ASP 85 Cb 1.20 0.09 -0.31 0.00 1.72 0.00 0.00 39.33 42.03 1dwk h ASP 85 CO 0.75 -0.04 -0.92 -0.67 -2.88 0.00 0.00 179.24 175.48 1dwk n ASP 86 N -5.16 -0.64 0.00 2.28 2.03 -1.26 -5.03 116.55 108.77 1dwk n ASP 86 Ca -0.03 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1dwk n ASP 86 Cb 0.10 0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 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 1.11 0.00 -4.62 -0.67 1.74 -1.26 -4.76 116.66 108.21 1dwk n ARG 87 Ca 0.18 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.92 1dwk n ARG 87 Cb 0.60 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.90 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 3.11 0.47 0.55 -1.09 -1.26 -5.02 121.20 117.96 1dwk s ILE 88 Ca 0.00 -0.63 -0.24 0.00 -2.23 0.00 0.00 60.65 57.55 1dwk s ILE 88 Cb 0.00 -2.32 -0.07 0.00 -1.58 0.00 0.00 42.46 38.49 1dwk s ILE 88 CO 0.00 0.51 1.34 -2.84 -1.23 0.00 0.00 174.94 172.72 1dwk s PRO 89 N 0.53 3.58 -0.05 2.79 0.02 -1.26 -4.90 135.00 135.71 1dwk s PRO 89 Ca -0.08 2.21 0.14 0.00 0.02 0.00 0.00 61.00 63.30 1dwk s PRO 89 Cb -0.15 -2.52 -0.22 0.00 0.02 0.00 0.00 34.50 31.63 1dwk s PRO 89 CO 0.04 -0.83 0.58 0.25 -0.33 0.00 0.00 177.00 176.71 1dwk n THR 90 N -0.43 1.47 -2.35 0.99 -2.24 -1.26 -4.69 114.28 105.77 1dwk n THR 90 Ca 0.07 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.65 1dwk n THR 90 Cb 0.44 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 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 -5.90 7.06 0.29 3.42 2.15 -1.26 -4.88 116.67 117.56 1dwk s ASP 91 Ca -0.05 2.26 -0.01 0.00 0.43 0.00 0.00 52.55 55.18 1dwk s ASP 91 Cb 0.08 -2.61 0.46 0.00 -0.30 0.00 0.00 42.92 40.55 1dwk s ASP 91 CO 0.83 -0.39 1.94 -0.65 -0.17 0.00 0.00 175.17 176.73 1dwk h PRO 92 N 5.18 1.08 -0.05 4.34 0.11 -2.05 0.24 132.00 140.85 1dwk h PRO 92 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1dwk h PRO 92 Cb 1.21 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1dwk h PRO 92 CO 0.74 0.72 0.00 2.41 -0.21 0.00 0.00 178.00 181.66 1dwk n THR 93 N -4.44 0.00 0.00 -1.15 -1.04 -1.26 -1.96 114.28 104.43 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 0.09 -0.26 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 -0.06 0.00 0.03 -1.42 9.36 0.85 -4.25 117.16 121.67 1dwk n TYR 95 Ca 0.00 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.30 1dwk n TYR 95 Cb 0.01 0.00 0.51 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 0.35 -0.41 2.98 2.47 -1.65 0.70 114.38 118.81 1dwk h ARG 96 Ca 0.00 -0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.57 1dwk h ARG 96 Cb 0.00 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 1dwk h ARG 96 CO 0.00 0.23 -0.25 0.74 0.56 0.00 0.00 179.97 181.25 1dwk h PHE 97 N 0.36 0.98 -0.71 3.04 0.04 -1.87 -2.69 116.94 116.09 1dwk h PHE 97 Ca 0.16 -0.24 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1dwk h PHE 97 Cb 0.20 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1dwk h PHE 97 CO -0.00 1.01 0.47 -0.92 -0.60 0.00 0.00 178.31 178.26 1dwk h TYR 98 N 0.73 0.89 0.00 -0.55 3.20 -1.61 -3.07 116.97 116.56 1dwk h TYR 98 Ca 0.09 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1dwk h TYR 98 Cb 0.79 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1dwk h TYR 98 CO 0.05 0.56 0.04 -1.91 -1.64 0.00 0.00 178.16 175.26 1dwk n GLU 99 N -4.59 0.14 0.00 1.82 2.13 0.12 -1.57 120.64 118.69 1dwk n GLU 99 Ca 0.06 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1dwk n GLU 99 Cb 0.02 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.28 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 2.05 0.00 -0.02 4.31 7.94 -1.16 -1.01 117.00 129.11 1dwk n LEU 101 Ca 0.01 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1dwk n LEU 101 Cb 0.07 0.00 0.30 0.00 0.53 0.00 0.00 43.42 44.32 1dwk n LEU 101 CO 0.03 0.00 0.96 1.56 -1.11 0.00 0.00 177.39 178.83 1dwk h GLN 102 N 0.00 0.56 0.07 1.96 1.08 -1.61 0.84 115.11 118.02 1dwk h GLN 102 Ca 0.00 -0.11 -0.22 0.00 -1.45 0.00 0.00 58.65 56.87 1dwk h GLN 102 Cb 0.00 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1dwk h GLN 102 CO 0.00 0.56 -1.11 0.28 -0.95 0.00 0.00 178.83 177.61 1dwk h VAL 103 N 0.54 1.16 -0.06 -0.54 2.07 -1.36 -3.41 116.25 114.65 1dwk h VAL 103 Ca 0.12 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1dwk h VAL 103 Cb 0.29 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1dwk h VAL 103 CO 0.00 0.60 0.00 -1.22 0.02 0.00 0.00 177.57 176.98 1dwk n TYR 104 N -4.16 0.06 -0.27 1.57 4.01 -1.24 -4.70 117.16 112.44 1dwk n TYR 104 Ca -0.23 -0.04 -0.05 0.00 -0.16 0.00 0.00 57.90 57.41 1dwk n TYR 104 Cb 0.78 -0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.86 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 2.98 1.09 2.00 2.72 0.00 -1.07 0.17 103.07 110.96 1dwk h GLY 105 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1dwk h GLY 105 CO 0.00 0.46 -0.54 -0.91 0.00 0.00 0.00 176.54 175.55 1dwk h THR 106 N 1.01 1.36 -0.46 4.70 1.35 -1.84 -1.50 112.91 117.53 1dwk h THR 106 Ca 0.26 -1.88 -0.13 0.00 -0.55 0.00 0.00 66.41 64.11 1dwk h THR 106 Cb 0.02 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1dwk h THR 106 CO -0.04 0.53 -0.20 0.74 -0.25 0.00 0.00 175.52 176.30 1dwk h THR 107 N 0.00 1.27 -0.59 6.82 2.02 -1.67 -0.34 112.91 120.42 1dwk h THR 107 Ca -0.01 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 1dwk h THR 107 Cb 0.98 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1dwk h THR 107 CO 0.07 0.47 0.34 -0.07 0.37 0.00 0.00 175.52 176.69 1dwk h LEU 108 N 0.79 0.72 -0.03 2.58 3.38 -0.48 -0.69 115.31 121.58 1dwk h LEU 108 Ca 0.10 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1dwk h LEU 108 Cb 0.78 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1dwk h LEU 108 CO 0.06 0.59 -0.05 0.50 0.09 0.00 0.00 178.44 179.63 1dwk h LYS 109 N 0.79 -0.08 -0.63 1.13 3.64 -1.11 0.34 116.57 120.65 1dwk h LYS 109 Ca 0.21 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1dwk h LYS 109 Cb 0.02 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1dwk h LYS 109 CO -0.04 -0.05 0.31 0.00 -2.27 0.00 0.00 179.45 177.40 1dwk h ALA 110 N 0.94 0.82 -0.00 5.00 0.00 -0.72 -0.65 119.26 124.64 1dwk h ALA 110 Ca 0.03 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1dwk h ALA 110 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1dwk h ALA 110 CO -0.08 0.38 -0.76 -0.07 0.00 0.00 0.00 179.25 178.72 1dwk h LEU 111 N 0.87 0.06 -0.27 0.00 3.38 -1.07 -1.14 115.31 117.14 1dwk h LEU 111 Ca 0.22 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1dwk h LEU 111 Cb 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1dwk h LEU 111 CO -0.03 0.80 -0.09 0.58 0.09 0.00 0.00 178.44 179.79 1dwk h VAL 112 N 0.03 1.29 -0.42 1.22 2.07 -0.67 -0.49 116.25 119.27 1dwk h VAL 112 Ca -0.01 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 1dwk h VAL 112 Cb 1.35 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1dwk h VAL 112 CO 0.10 0.36 -0.01 0.45 0.02 0.00 0.00 177.57 178.50 1dwk h HIS 113 N 0.29 0.73 -0.32 1.57 3.86 -0.99 0.00 115.15 120.29 1dwk h HIS 113 Ca 0.07 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1dwk h HIS 113 Cb 0.58 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1dwk h HIS 113 CO 0.06 0.69 -0.04 1.49 0.86 0.00 0.00 177.93 180.99 1dwk h GLU 114 N 0.65 0.59 0.01 2.45 4.81 -1.03 -1.30 114.58 120.75 1dwk h GLU 114 Ca 0.13 -0.21 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 1dwk h GLU 114 Cb 0.42 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1dwk h GLU 114 CO 0.02 0.75 -0.98 0.87 -0.73 0.00 0.00 179.01 178.94 1dwk h LYS 115 N 0.38 0.02 0.00 1.92 1.57 -0.94 -3.41 116.57 116.10 1dwk h LYS 115 Ca 0.09 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1dwk h LYS 115 Cb 0.51 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1dwk h LYS 115 CO 0.02 0.98 -1.10 1.19 -0.57 0.00 0.00 179.45 179.97 1dwk n PHE 116 N -3.41 0.00 0.00 -1.35 3.01 -0.03 -5.10 117.46 110.59 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 0.91 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 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 3.03 0.75 3.76 1.37 0.00 -0.49 -5.03 105.19 108.58 1dwk n GLY 117 Ca -0.04 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 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 5.59 0.00 1.61 -1.08 -1.26 -4.02 116.67 113.50 1dwk s ASP 118 Ca 0.00 2.41 0.00 0.00 -0.52 0.00 0.00 52.55 54.44 1dwk s ASP 118 Cb 0.00 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1dwk s ASP 118 CO 0.00 -1.32 0.00 0.61 0.52 0.00 0.00 175.17 174.98 1dwk n GLY 119 N 0.49 0.54 3.20 2.66 0.00 -1.26 -1.22 105.19 109.59 1dwk n GLY 119 Ca 0.11 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.49 0.73 -0.20 -0.61 -4.36 -0.31 -4.88 121.20 110.07 1dwk s ILE 120 Ca 0.00 -1.96 -0.16 0.00 -0.26 0.00 0.00 60.65 58.27 1dwk s ILE 120 Cb 0.00 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 1dwk s ILE 120 CO 0.00 -0.75 0.42 -0.63 0.24 0.00 0.00 174.94 174.23 1dwk s ILE 121 N -3.61 5.18 0.48 8.37 -1.09 -1.26 -1.22 121.20 128.06 1dwk s ILE 121 Ca 0.16 0.76 -0.23 0.00 -2.23 0.00 0.00 60.65 59.11 1dwk s ILE 121 Cb 0.05 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 37.12 1dwk s ILE 121 CO -0.02 0.24 1.26 -0.55 -1.23 0.00 0.00 174.94 174.64 1dwk s SER 122 N 1.06 5.84 0.00 3.58 0.15 0.55 -4.93 113.70 119.94 1dwk s SER 122 Ca 0.20 2.54 0.23 0.00 0.70 0.00 0.00 55.95 59.63 1dwk s SER 122 Cb -0.15 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.09 1dwk s SER 122 CO 0.08 -1.17 1.48 0.00 1.20 0.00 0.00 173.24 174.84 1dwk n ALA 123 N -0.60 2.40 -0.04 5.45 0.00 -1.26 -4.40 120.51 122.06 1dwk n ALA 123 Ca 0.08 -1.16 -0.09 0.00 0.00 0.00 0.00 53.44 52.27 1dwk n ALA 123 Cb 0.46 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 1.60 0.53 -2.70 0.00 2.08 -1.26 -4.71 119.36 114.90 1dwk n ILE 124 Ca 0.22 -0.09 -0.43 0.00 0.56 0.00 0.00 62.75 63.02 1dwk n ILE 124 Cb 0.62 -1.63 -0.02 0.00 -0.75 0.00 0.00 39.64 37.86 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 -5.78 6.69 -0.28 4.38 3.84 -1.26 -4.88 114.94 117.65 1dwk s ASN 125 Ca -0.12 -2.03 -0.22 0.00 0.21 0.00 0.00 52.86 50.71 1dwk s ASN 125 Cb 0.04 -2.51 0.08 0.00 -0.55 0.00 0.00 41.25 38.32 1dwk s ASN 125 CO 0.15 -1.23 0.77 0.12 -2.79 0.00 0.00 177.10 174.12 1dwk s PHE 126 N 3.82 -0.82 0.05 0.43 5.36 -1.26 -1.19 117.98 124.37 1dwk s PHE 126 Ca 0.44 1.84 0.03 0.00 -0.96 0.00 0.00 56.93 58.28 1dwk s PHE 126 Cb -0.01 0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 43.05 1dwk s PHE 126 CO -0.04 -0.40 -0.09 0.15 -1.46 0.00 0.00 175.22 173.38 1dwk s LYS 127 N 0.80 0.58 0.06 10.12 1.02 -0.05 -5.01 119.74 127.27 1dwk s LYS 127 Ca -0.03 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.16 1dwk s LYS 127 Cb -0.05 -0.37 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 1dwk s LYS 127 CO -0.07 0.07 -0.06 -0.48 -0.92 0.00 0.00 175.35 173.88 1dwk s LEU 128 N -1.67 2.37 0.05 3.17 0.05 -1.26 -1.37 118.68 120.02 1dwk s LEU 128 Ca -0.08 -0.75 -0.05 0.00 0.05 0.00 0.00 54.13 53.29 1dwk s LEU 128 Cb -0.09 -0.04 -0.01 0.00 -2.05 0.00 0.00 46.19 43.99 1dwk s LEU 128 CO 0.00 -0.36 0.10 1.51 -0.55 0.00 0.00 176.35 177.05 1dwk s ASP 129 N -2.23 0.20 -0.15 1.48 -4.77 -0.94 -4.79 116.67 105.47 1dwk s ASP 129 Ca -0.01 -0.60 0.01 0.00 -3.30 0.00 0.00 52.55 48.64 1dwk s ASP 129 Cb -0.02 0.24 -0.00 0.00 -1.09 0.00 0.00 42.92 42.04 1dwk s ASP 129 CO -0.03 -0.55 -0.16 -0.69 0.70 0.00 0.00 175.17 174.44 1dwk s VAL 130 N -2.93 2.60 0.02 2.11 1.01 -1.26 -1.32 120.40 120.63 1dwk s VAL 130 Ca -0.02 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.23 1dwk s VAL 130 Cb 0.01 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1dwk s VAL 130 CO -0.06 0.52 -0.20 -0.54 0.00 0.00 0.00 175.10 174.82 1dwk s LYS 131 N 0.79 1.42 -0.21 2.72 1.02 -0.05 -4.99 119.74 120.44 1dwk s LYS 131 Ca -0.06 -0.84 -0.14 0.00 0.02 0.00 0.00 55.97 54.96 1dwk s LYS 131 Cb -0.15 -1.47 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 1dwk s LYS 131 CO 0.00 0.39 0.31 0.21 -0.92 0.00 0.00 175.35 175.33 1dwk s LYS 132 N -0.90 4.14 -0.02 1.68 2.20 -1.26 -0.96 119.74 124.62 1dwk s LYS 132 Ca 0.07 0.03 0.06 0.00 -0.36 0.00 0.00 55.97 55.77 1dwk s LYS 132 Cb -0.08 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1dwk s LYS 132 CO 0.01 0.01 -0.19 0.08 -0.36 0.00 0.00 175.35 174.90 1dwk s VAL 133 N 1.17 1.51 0.30 4.02 1.01 -0.38 -4.98 120.40 123.05 1dwk s VAL 133 Ca 0.15 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1dwk s VAL 133 Cb -0.14 -1.26 -0.11 0.00 0.00 0.00 0.00 36.38 34.87 1dwk s VAL 133 CO 0.06 0.43 1.50 0.00 0.00 0.00 0.00 175.10 177.09 1dwk s ALA 134 N -0.36 3.65 -0.04 5.51 0.00 -1.26 -0.45 121.76 128.81 1dwk s ALA 134 Ca 0.05 1.47 -0.25 0.00 0.00 0.00 0.00 51.96 53.24 1dwk s ALA 134 Cb -0.08 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1dwk s ALA 134 CO -0.00 -0.90 0.76 0.34 0.00 0.00 0.00 175.76 175.96 1dwk s ASP 135 N 0.21 7.08 0.53 0.00 -1.08 0.24 -4.75 116.67 118.90 1dwk s ASP 135 Ca 0.58 1.30 0.28 0.00 -0.52 0.00 0.00 52.55 54.20 1dwk s ASP 135 Cb -0.45 -2.45 1.49 0.00 -1.46 0.00 0.00 42.92 40.06 1dwk s ASP 135 CO 0.51 -0.13 2.09 -0.65 0.52 0.00 0.00 175.17 177.50 1dwk h PRO 136 N 6.66 0.00 -0.00 4.34 0.11 -1.94 -0.84 132.00 140.32 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 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1dwk h PRO 136 CO 0.75 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 1dwk n GLU 137 N -3.61 1.12 0.00 1.05 1.02 -1.26 -5.00 120.64 113.97 1dwk n GLU 137 Ca -0.02 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1dwk n GLU 137 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.02 3.11 6.86 0.62 0.00 -0.32 -5.13 105.19 111.36 1dwk n GLY 138 Ca 0.23 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.51 3.11 -0.02 0.00 -1.26 -4.55 105.19 100.96 1dwk n GLY 139 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 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 0.74 0.13 1.61 2.02 -1.26 -0.59 118.70 121.34 1dwk s GLU 140 Ca 0.00 -0.73 0.08 0.00 0.02 0.00 0.00 54.97 54.34 1dwk s GLU 140 Cb 0.00 -0.68 -0.04 0.00 0.10 0.00 0.00 34.13 33.51 1dwk s GLU 140 CO 0.00 0.16 -0.20 1.03 0.02 0.00 0.00 175.26 176.27 1dwk s ARG 141 N -1.27 1.19 -0.18 1.61 0.52 0.41 -4.74 118.95 116.49 1dwk s ARG 141 Ca -0.02 -1.27 -0.07 0.00 -0.52 0.00 0.00 55.73 53.84 1dwk s ARG 141 Cb -0.08 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.98 1dwk s ARG 141 CO 0.01 0.30 0.06 0.00 0.02 0.00 0.00 175.30 175.69 1dwk s ALA 142 N -1.55 3.42 -0.36 2.13 0.00 -1.26 -1.25 121.76 122.88 1dwk s ALA 142 Ca 0.11 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1dwk s ALA 142 Cb -0.08 -1.92 0.06 0.00 0.00 0.00 0.00 23.12 21.18 1dwk s ALA 142 CO 0.05 0.20 0.14 0.08 0.00 0.00 0.00 175.76 176.24 1dwk s VAL 143 N 0.31 3.75 -0.25 0.00 1.01 -0.13 -4.97 120.40 120.12 1dwk s VAL 143 Ca 0.04 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 1dwk s VAL 143 Cb -0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1dwk s VAL 143 CO 0.00 -0.31 0.09 -0.63 0.00 0.00 0.00 175.10 174.25 1dwk s ILE 144 N 1.36 4.51 -0.26 2.22 1.01 -1.26 -0.87 121.20 127.91 1dwk s ILE 144 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1dwk s ILE 144 Cb -0.21 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1dwk s ILE 144 CO 0.01 0.33 0.15 -0.89 0.00 0.00 0.00 174.94 174.55 1dwk s THR 145 N 1.55 5.08 -0.28 2.92 2.01 -0.44 -4.96 115.64 121.52 1dwk s THR 145 Ca 0.06 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.05 1dwk s THR 145 Cb -0.15 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1dwk s THR 145 CO 0.05 0.30 0.17 -0.76 -0.69 0.00 0.00 174.62 173.69 1dwk s LEU 146 N 1.50 3.93 -0.32 4.42 1.43 -1.26 -2.22 118.68 126.15 1dwk s LEU 146 Ca 0.07 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1dwk s LEU 146 Cb -0.15 -2.08 0.10 0.00 0.03 0.00 0.00 46.19 44.09 1dwk s LEU 146 CO 0.07 -0.05 0.10 -0.62 0.23 0.00 0.00 176.35 176.09 1dwk s ASP 147 N 1.73 4.04 0.05 2.29 2.15 -0.47 -5.01 116.67 121.45 1dwk s ASP 147 Ca 0.07 -1.73 0.07 0.00 0.43 0.00 0.00 52.55 51.39 1dwk s ASP 147 Cb -0.16 -0.91 -0.03 0.00 -0.30 0.00 0.00 42.92 41.52 1dwk s ASP 147 CO 0.10 -0.40 -0.18 -0.83 -0.17 0.00 0.00 175.17 173.68 1dwk s GLY 148 N 1.50 1.03 0.36 2.66 0.00 -1.26 -0.87 107.32 110.74 1dwk s GLY 148 Ca 0.10 -1.02 -0.28 0.00 0.00 0.00 0.00 44.72 43.53 1dwk s GLY 148 CO -0.23 -0.97 1.32 1.25 0.00 0.00 0.00 173.10 174.46 1dwk s LYS 149 N -1.31 4.22 -0.17 2.90 2.47 -0.33 -4.63 119.74 122.89 1dwk s LYS 149 Ca 0.05 2.22 -0.28 0.00 -1.56 0.00 0.00 55.97 56.40 1dwk s LYS 149 Cb -0.09 -2.97 -0.01 0.00 -1.46 0.00 0.00 37.83 33.31 1dwk s LYS 149 CO 0.02 -0.30 0.96 -0.47 0.16 0.00 0.00 175.35 175.72 1dwk s TYR 150 N -1.18 3.43 -0.17 4.03 5.04 -1.26 -0.33 117.35 126.90 1dwk s TYR 150 Ca 0.52 1.44 -0.01 0.00 -2.44 0.00 0.00 57.07 56.58 1dwk s TYR 150 Cb -0.40 -3.15 -0.00 0.00 0.35 0.00 0.00 41.96 38.76 1dwk s TYR 150 CO 0.52 -0.31 -0.12 -0.51 -1.34 0.00 0.00 175.55 173.80 1dwk s LEU 151 N 2.42 2.63 0.44 6.97 1.43 -0.35 -4.96 118.68 127.26 1dwk s LEU 151 Ca 0.44 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.90 1dwk s LEU 151 Cb -0.17 -1.62 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 1dwk s LEU 151 CO 0.12 0.06 0.96 -2.16 0.23 0.00 0.00 176.35 175.57 1dwk s PRO 152 N 0.96 4.16 -0.26 1.29 0.04 -1.26 -1.16 135.00 138.77 1dwk s PRO 152 Ca -0.02 1.15 -0.10 0.00 0.04 0.00 0.00 61.00 62.07 1dwk s PRO 152 Cb -0.15 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1dwk s PRO 152 CO -0.01 -0.10 0.14 0.99 0.04 0.00 0.00 177.00 178.06 1dwk s THR 153 N -2.17 4.93 0.19 1.26 2.01 -0.36 -4.83 115.64 116.67 1dwk s THR 153 Ca 0.63 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.74 1dwk s THR 153 Cb -0.10 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1dwk s THR 153 CO 0.15 0.29 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.68 1dwk s LYS 154 N 1.64 1.31 0.87 4.92 1.02 -1.26 -4.63 119.74 123.61 1dwk s LYS 154 Ca 0.07 -1.54 -0.10 0.00 0.02 0.00 0.00 55.97 54.41 1dwk s LYS 154 Cb -0.15 -1.16 0.12 0.00 -0.52 0.00 0.00 37.83 36.12 1dwk s LYS 154 CO 0.08 0.20 1.13 -2.14 -0.92 0.00 0.00 175.35 173.70 1dwk s PRO 155 N -3.44 1.39 0.00 -1.68 0.02 -1.26 -5.20 135.00 124.83 1dwk s PRO 155 Ca 0.21 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1dwk s PRO 155 Cb -0.02 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.72 1dwk s PRO 155 CO 0.07 -2.34 0.01 1.97 -0.33 0.00 0.00 177.00 176.37