#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 0.96 0.07 9.51 -1.52 -1.26 -5.08 119.66 122.33 1dwk s GLN 3 Ca 0.00 -0.59 0.03 0.00 -1.95 0.00 0.00 55.36 52.85 1dwk s GLN 3 Cb 0.00 -0.94 -0.03 0.00 -0.22 0.00 0.00 33.01 31.82 1dwk s GLN 3 CO 0.00 0.24 -0.10 -1.54 -0.25 0.00 0.00 175.29 173.65 1dwk s SER 4 N -0.71 1.22 0.28 5.90 1.04 -1.26 -0.77 113.70 119.41 1dwk s SER 4 Ca 0.03 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.81 1dwk s SER 4 Cb -0.06 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 1dwk s SER 4 CO 0.00 -0.22 0.44 -1.10 0.98 0.00 0.00 173.24 173.35 1dwk s GLN 5 N -2.15 3.47 0.00 4.02 -1.52 0.40 -4.87 119.66 119.00 1dwk s GLN 5 Ca -0.02 -0.54 0.00 0.00 -1.95 0.00 0.00 55.36 52.85 1dwk s GLN 5 Cb -0.07 -2.79 0.00 0.00 -0.22 0.00 0.00 33.01 29.94 1dwk s GLN 5 CO 0.00 0.31 0.14 0.44 -0.25 0.00 0.00 175.29 175.92 1dwk n ILE 6 N -1.51 0.00 -3.96 1.08 -5.35 -1.26 -3.97 119.36 104.40 1dwk n ILE 6 Ca -0.07 -0.20 -0.31 0.00 -0.27 0.00 0.00 62.75 61.91 1dwk n ILE 6 Cb 0.56 1.42 -0.15 0.00 -1.74 0.00 0.00 39.64 39.73 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 -0.12 4.00 0.60 7.28 2.47 -1.26 -4.95 114.94 122.95 1dwk s ASN 7 Ca 0.00 -1.27 0.33 0.00 0.42 0.00 0.00 52.86 52.34 1dwk s ASN 7 Cb 0.00 -1.25 1.90 0.00 -1.45 0.00 0.00 41.25 40.44 1dwk s ASN 7 CO 0.00 -0.24 2.24 0.08 -3.72 0.00 0.00 177.10 175.46 1dwk h ARG 8 N 7.91 0.00 0.00 0.43 0.11 -1.94 -2.92 114.38 117.97 1dwk h ARG 8 Ca -0.17 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.90 1dwk h ARG 8 Cb 1.06 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 1dwk h ARG 8 CO 0.43 0.03 -0.05 -0.91 0.10 0.00 0.00 179.97 179.56 1dwk h ASN 9 N 0.00 0.00 0.26 0.08 2.35 -1.95 -0.65 115.58 115.66 1dwk h ASN 9 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1dwk h ASN 9 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1dwk h ASN 9 CO 0.00 0.05 -0.13 0.40 -1.65 0.00 0.00 177.43 176.10 1dwk h ILE 10 N 0.00 0.73 -0.06 2.81 1.08 -1.96 0.31 117.51 120.43 1dwk h ILE 10 Ca -0.00 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.33 1dwk h ILE 10 Cb 0.10 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1dwk h ILE 10 CO 0.01 0.00 -0.61 0.03 -0.69 0.00 0.00 178.15 176.89 1dwk h ARG 11 N -0.36 0.20 -0.24 2.37 2.47 -1.68 -1.98 114.38 115.15 1dwk h ARG 11 Ca -0.03 -0.14 -0.14 0.00 -1.26 0.00 0.00 59.98 58.41 1dwk h ARG 11 Cb 0.28 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1dwk h ARG 11 CO 0.05 0.75 -0.44 -0.07 0.56 0.00 0.00 179.97 180.82 1dwk h LEU 12 N 0.15 0.65 -0.59 3.04 3.38 -1.00 0.30 115.31 121.23 1dwk h LEU 12 Ca -0.01 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1dwk h LEU 12 Cb 1.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1dwk h LEU 12 CO 0.09 1.00 0.20 0.44 0.09 0.00 0.00 178.44 180.25 1dwk h ASP 13 N 0.49 0.85 -0.68 -0.43 3.32 -0.82 -2.12 116.42 117.02 1dwk h ASP 13 Ca 0.03 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 56.92 1dwk h ASP 13 Cb 0.96 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1dwk h ASP 13 CO 0.09 0.82 0.43 0.25 -1.72 0.00 0.00 179.24 179.10 1dwk h LEU 14 N 0.83 0.69 -0.78 1.55 5.85 -1.17 -1.87 115.31 120.42 1dwk h LEU 14 Ca 0.19 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.01 1dwk h LEU 14 Cb 0.27 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1dwk h LEU 14 CO -0.01 0.48 0.42 0.00 -0.34 0.00 0.00 178.44 178.99 1dwk h ALA 15 N 1.30 1.10 -0.65 1.25 0.00 -0.49 0.64 119.26 122.40 1dwk h ALA 15 Ca 0.28 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1dwk h ALA 15 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1dwk h ALA 15 CO -0.11 0.03 0.14 -0.44 0.00 0.00 0.00 179.25 178.87 1dwk h ASP 16 N 0.70 0.97 -0.54 0.00 3.32 -0.81 -0.46 116.42 119.61 1dwk h ASP 16 Ca 0.38 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1dwk h ASP 16 Cb 0.38 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1dwk h ASP 16 CO -0.26 0.95 -0.07 0.00 -1.72 0.00 0.00 179.24 178.13 1dwk h ALA 17 N 1.17 0.74 -0.49 3.45 0.00 -0.72 -1.98 119.26 121.43 1dwk h ALA 17 Ca 0.20 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1dwk h ALA 17 Cb 0.36 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1dwk h ALA 17 CO 0.00 0.62 0.26 0.82 0.00 0.00 0.00 179.25 180.96 1dwk h ILE 18 N 0.88 0.99 -0.24 0.00 2.04 -0.49 -0.90 117.51 119.79 1dwk h ILE 18 Ca 0.14 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 1dwk h ILE 18 Cb 0.64 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1dwk h ILE 18 CO 0.04 0.10 -0.19 -0.07 0.00 0.00 0.00 178.15 178.02 1dwk h LEU 19 N 0.52 0.42 -0.26 1.44 3.38 -0.77 0.39 115.31 120.43 1dwk h LEU 19 Ca 0.21 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1dwk h LEU 19 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1dwk h LEU 19 CO -0.13 0.63 -0.16 0.25 0.09 0.00 0.00 178.44 179.12 1dwk h LEU 20 N 0.39 0.59 -0.21 1.67 5.85 -0.97 -1.28 115.31 121.34 1dwk h LEU 20 Ca 0.07 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.38 1dwk h LEU 20 Cb 0.56 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1dwk h LEU 20 CO 0.04 0.90 0.06 -1.28 -0.34 0.00 0.00 178.44 177.81 1dwk h SER 21 N 0.29 0.04 -0.70 1.25 0.87 -0.84 -0.12 113.55 114.34 1dwk h SER 21 Ca 0.05 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.75 1dwk h SER 21 Cb 0.69 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.60 1dwk h SER 21 CO 0.05 0.05 0.32 0.50 -0.53 0.00 0.00 176.83 177.21 1dwk h LYS 22 N 0.15 0.51 -0.34 2.24 3.64 -0.87 -1.51 116.57 120.39 1dwk h LYS 22 Ca 0.10 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.29 1dwk h LYS 22 Cb 0.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1dwk h LYS 22 CO -0.12 0.34 -0.41 0.00 -2.27 0.00 0.00 179.45 176.99 1dwk h ALA 23 N 1.46 0.63 -0.59 5.00 0.00 -0.79 -0.81 119.26 124.15 1dwk h ALA 23 Ca 0.36 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dwk h ALA 23 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1dwk h ALA 23 CO -0.31 0.67 0.36 0.87 0.00 0.00 0.00 179.25 180.84 1dwk h LYS 24 N 0.69 0.79 -0.00 0.00 1.57 -0.54 -2.22 116.57 116.85 1dwk h LYS 24 Ca 0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1dwk h LYS 24 Cb 0.99 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1dwk h LYS 24 CO 0.09 0.55 -0.26 1.63 -0.57 0.00 0.00 179.45 180.90 1dwk n LYS 25 N -4.42 0.10 -3.61 3.15 5.02 -0.61 -4.96 118.16 112.84 1dwk n LYS 25 Ca 0.06 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1dwk n LYS 25 Cb 0.07 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.41 -3.71 -4.94 4.39 2.03 -0.38 -4.97 116.55 107.55 1dwk n ASP 26 Ca 0.07 -0.65 -0.24 0.00 0.52 0.00 0.00 54.79 54.49 1dwk n ASP 26 Cb 0.33 -4.72 -0.02 0.00 -0.72 0.00 0.00 41.12 35.99 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 -6.87 4.14 0.23 -2.67 1.43 -0.76 -5.04 118.68 109.15 1dwk s LEU 27 Ca 0.29 0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 1dwk s LEU 27 Cb -0.13 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 1dwk s LEU 27 CO 0.76 -0.18 0.17 -0.94 0.23 0.00 0.00 176.35 176.39 1dwk s SER 28 N -3.79 5.45 0.29 2.29 1.04 -1.26 -4.82 113.70 112.89 1dwk s SER 28 Ca 0.38 -0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.55 1dwk s SER 28 Cb -0.10 -1.37 0.42 0.00 0.10 0.00 0.00 66.02 65.07 1dwk s SER 28 CO 0.33 -0.01 1.82 -0.26 0.98 0.00 0.00 173.24 176.09 1dwk h PHE 29 N 1.71 0.80 -0.56 5.02 0.04 -1.99 -1.54 116.94 120.42 1dwk h PHE 29 Ca -0.48 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.15 1dwk h PHE 29 Cb 1.23 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 39.13 1dwk h PHE 29 CO 0.57 0.70 0.12 0.00 -0.60 0.00 0.00 178.31 179.10 1dwk h ALA 30 N 1.35 1.15 0.00 2.45 0.00 -1.95 -1.80 119.26 120.47 1dwk h ALA 30 Ca 0.16 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1dwk h ALA 30 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1dwk h ALA 30 CO 0.00 0.57 -0.81 1.05 0.00 0.00 0.00 179.25 180.06 1dwk h GLU 31 N 0.84 0.04 -0.66 0.00 4.11 -1.89 -1.23 114.58 115.80 1dwk h GLU 31 Ca 0.18 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.53 1dwk h GLU 31 Cb 0.33 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1dwk h GLU 31 CO 0.00 0.83 0.24 0.82 0.07 0.00 0.00 179.01 180.97 1dwk h ILE 32 N 0.02 1.23 0.00 -1.06 2.04 -1.02 -2.65 117.51 116.08 1dwk h ILE 32 Ca -0.02 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1dwk h ILE 32 Cb 1.43 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1dwk h ILE 32 CO 0.11 0.30 -0.21 0.00 0.00 0.00 0.00 178.15 178.35 1dwk h ALA 33 N 1.31 0.88 -2.46 1.87 0.00 -1.13 -3.44 119.26 116.29 1dwk h ALA 33 Ca 0.22 -0.14 -0.56 0.00 0.00 0.00 0.00 54.91 54.43 1dwk h ALA 33 Cb 0.21 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 18.06 1dwk h ALA 33 CO -0.02 0.19 0.78 -3.47 0.00 0.00 0.00 179.25 176.73 1dwk n ASP 34 N -3.11 3.28 0.00 0.00 2.03 -0.48 -1.73 116.55 116.53 1dwk n ASP 34 Ca 0.03 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1dwk n ASP 34 Cb 0.59 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 2.75 1.25 0.12 0.27 0.00 -1.26 -4.91 105.19 103.41 1dwk n GLY 35 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.65 -3.47 112.91 111.74 1dwk h THR 36 Ca 0.00 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1dwk h THR 36 Cb 0.00 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 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 1.18 0.79 3.55 5.82 0.00 -1.26 -4.87 105.19 110.39 1dwk n GLY 37 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 2.92 0.47 0.99 1.43 -1.26 -5.10 118.68 118.13 1dwk s LEU 38 Ca 0.00 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.41 1dwk s LEU 38 Cb 0.00 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 1dwk s LEU 38 CO 0.00 0.17 1.32 0.00 0.23 0.00 0.00 176.35 178.07 1dwk s ALA 39 N -1.21 3.08 0.43 4.21 0.00 -1.26 -4.83 121.76 122.18 1dwk s ALA 39 Ca 0.20 1.26 0.12 0.00 0.00 0.00 0.00 51.96 53.53 1dwk s ALA 39 Cb -0.11 -3.51 0.97 0.00 0.00 0.00 0.00 23.12 20.47 1dwk s ALA 39 CO 0.13 -1.03 2.01 1.05 0.00 0.00 0.00 175.76 177.91 1dwk h GLU 40 N 2.14 0.44 -0.34 0.00 4.11 -1.92 -1.25 114.58 117.76 1dwk h GLU 40 Ca -0.50 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 58.80 1dwk h GLU 40 Cb 1.27 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1dwk h GLU 40 CO 0.60 0.29 -0.22 0.00 0.07 0.00 0.00 179.01 179.76 1dwk h ALA 41 N 1.71 0.98 -0.01 1.06 0.00 -1.91 -0.92 119.26 120.17 1dwk h ALA 41 Ca 0.23 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1dwk h ALA 41 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dwk h ALA 41 CO -0.06 0.60 -0.01 0.35 0.00 0.00 0.00 179.25 180.13 1dwk h PHE 42 N 0.58 0.04 -0.59 0.00 3.57 -1.65 -1.81 116.94 117.08 1dwk h PHE 42 Ca 0.08 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1dwk h PHE 42 Cb 0.69 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1dwk h PHE 42 CO 0.03 0.48 0.18 0.28 -2.23 0.00 0.00 178.31 177.04 1dwk h VAL 43 N -0.41 1.24 -0.11 1.41 2.07 -1.23 -1.60 116.25 117.62 1dwk h VAL 43 Ca 0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1dwk h VAL 43 Cb 0.47 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1dwk h VAL 43 CO 0.00 0.32 0.06 0.74 0.02 0.00 0.00 177.57 178.71 1dwk h THR 44 N 0.84 1.01 -0.98 2.57 2.02 -1.23 -1.15 112.91 115.98 1dwk h THR 44 Ca 0.19 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.39 1dwk h THR 44 Cb 0.30 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 1dwk h THR 44 CO -0.00 0.02 0.64 0.00 0.37 0.00 0.00 175.52 176.55 1dwk h ALA 45 N 1.05 1.43 -0.39 6.16 0.00 -1.08 -1.02 119.26 125.41 1dwk h ALA 45 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1dwk h ALA 45 Cb -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1dwk h ALA 45 CO -0.02 0.43 0.17 0.00 0.00 0.00 0.00 179.25 179.83 1dwk h ALA 46 N 1.47 0.50 -0.80 0.00 0.00 -0.52 0.82 119.26 120.72 1dwk h ALA 46 Ca 0.42 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1dwk h ALA 46 Cb 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1dwk h ALA 46 CO -0.16 0.09 0.52 -0.07 0.00 0.00 0.00 179.25 179.62 1dwk h LEU 47 N 0.48 0.66 -1.32 0.00 3.38 -0.64 -1.17 115.31 116.71 1dwk h LEU 47 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1dwk h LEU 47 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1dwk h LEU 47 CO -0.01 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.09 1dwk n LEU 48 N -4.51 1.91 0.00 1.67 4.77 -0.44 -4.13 117.00 116.28 1dwk n LEU 48 Ca 0.13 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1dwk n LEU 48 Cb 0.33 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1dwk n LEU 48 CO 0.32 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1dwk n GLY 49 N 0.92 0.80 0.19 -0.72 0.00 -0.44 -4.82 105.19 101.12 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 0.66 -4.14 1.61 1.13 0.22 -4.71 117.38 109.93 1dwk n GLN 50 Ca 0.00 -1.06 -0.11 0.00 -1.94 0.00 0.00 57.00 53.89 1dwk n GLN 50 Cb 0.00 -1.09 -0.09 0.00 0.11 0.00 0.00 30.24 29.18 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 -0.56 1.27 -0.09 -1.09 -1.52 -1.22 -4.81 119.66 111.64 1dwk s GLN 51 Ca 0.06 -1.50 -0.01 0.00 -1.95 0.00 0.00 55.36 51.96 1dwk s GLN 51 Cb 0.04 0.32 -0.03 0.00 -0.22 0.00 0.00 33.01 33.12 1dwk s GLN 51 CO 0.06 -0.45 -0.04 0.00 -0.25 0.00 0.00 175.29 174.60 1dwk s ALA 52 N -4.11 3.07 0.11 6.09 0.00 -1.26 -4.33 121.76 121.32 1dwk s ALA 52 Ca 0.33 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 1dwk s ALA 52 Cb 0.05 -1.37 -0.07 0.00 0.00 0.00 0.00 23.12 21.74 1dwk s ALA 52 CO 0.10 0.50 0.51 -0.51 0.00 0.00 0.00 175.76 176.36 1dwk s LEU 53 N -0.57 4.38 0.87 0.00 1.43 0.02 -4.98 118.68 119.83 1dwk s LEU 53 Ca 0.09 1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 1dwk s LEU 53 Cb -0.12 -3.09 0.11 0.00 0.03 0.00 0.00 46.19 43.12 1dwk s LEU 53 CO 0.02 0.16 1.11 -2.65 0.23 0.00 0.00 176.35 175.22 1dwk n PRO 54 N 1.05 -0.15 -0.33 1.29 -0.02 -1.26 -4.18 135.00 131.39 1dwk n PRO 54 Ca -0.07 0.03 -0.02 0.00 -2.02 0.00 0.00 63.50 61.41 1dwk n PRO 54 Cb 0.52 -2.36 0.10 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.41 1.15 -0.61 3.55 0.00 -1.97 -1.27 119.26 118.68 1dwk h ALA 55 Ca -0.45 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1dwk h ALA 55 Cb 1.29 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1dwk h ALA 55 CO 0.43 0.50 0.17 -0.44 0.00 0.00 0.00 179.25 179.91 1dwk h ASP 56 N 1.18 0.92 -0.10 0.00 3.32 -1.99 -1.06 116.42 118.68 1dwk h ASP 56 Ca 0.34 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 1dwk h ASP 56 Cb -0.09 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1dwk h ASP 56 CO -0.09 0.90 -0.28 0.00 -1.72 0.00 0.00 179.24 178.05 1dwk h ALA 57 N 1.05 1.00 -0.64 3.45 0.00 -1.81 -1.26 119.26 121.06 1dwk h ALA 57 Ca 0.20 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1dwk h ALA 57 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1dwk h ALA 57 CO -0.00 0.59 0.23 0.00 0.00 0.00 0.00 179.25 180.07 1dwk h ALA 58 N 1.21 0.83 -0.31 0.00 0.00 -0.85 0.11 119.26 120.25 1dwk h ALA 58 Ca 0.07 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1dwk h ALA 58 Cb 0.73 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1dwk h ALA 58 CO 0.06 0.48 -0.37 0.00 0.00 0.00 0.00 179.25 179.42 1dwk h ARG 59 N 0.91 0.72 -0.08 0.00 3.08 -1.00 0.09 114.38 118.09 1dwk h ARG 59 Ca 0.21 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1dwk h ARG 59 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1dwk h ARG 59 CO -0.01 0.97 0.03 -0.07 -1.07 0.00 0.00 179.97 179.81 1dwk h LEU 60 N 0.59 0.12 -0.77 3.04 3.38 -0.90 -1.07 115.31 119.70 1dwk h LEU 60 Ca 0.06 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1dwk h LEU 60 Cb 0.90 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1dwk h LEU 60 CO 0.08 0.26 -0.49 -0.37 0.09 0.00 0.00 178.44 178.01 1dwk h VAL 61 N -0.03 1.10 -0.47 1.22 -1.51 -0.98 -2.72 116.25 112.85 1dwk h VAL 61 Ca 0.03 -1.85 -0.09 0.00 -1.23 0.00 0.00 66.70 63.55 1dwk h VAL 61 Cb 0.19 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.40 1dwk h VAL 61 CO -0.00 0.48 -0.07 1.23 -1.23 0.00 0.00 177.57 177.98 1dwk h GLY 62 N 2.14 0.89 1.01 5.19 0.00 -0.74 -1.26 103.07 110.31 1dwk h GLY 62 Ca -0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 1dwk h GLY 62 CO 0.06 0.60 0.02 0.00 0.00 0.00 0.00 176.54 177.22 1dwk h ALA 63 N 1.17 0.69 -0.68 3.60 0.00 -1.03 0.68 119.26 123.69 1dwk h ALA 63 Ca 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1dwk h ALA 63 Cb 0.56 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1dwk h ALA 63 CO 0.03 0.48 0.24 0.87 0.00 0.00 0.00 179.25 180.88 1dwk h LYS 64 N 0.76 1.01 -0.24 0.00 1.57 -1.16 -2.85 116.57 115.67 1dwk h LYS 64 Ca 0.15 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1dwk h LYS 64 Cb 0.50 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1dwk h LYS 64 CO 0.02 0.85 0.00 1.28 -0.57 0.00 0.00 179.45 181.03 1dwk n LEU 65 N -4.28 2.78 -3.79 2.94 4.77 -0.51 -4.97 117.00 113.94 1dwk n LEU 65 Ca 0.06 -1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 54.68 1dwk n LEU 65 Cb 0.20 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1dwk n LEU 65 CO 0.40 0.56 -0.13 -0.67 -1.33 0.00 0.00 177.39 176.22 1dwk n ASP 66 N 1.08 -0.98 -4.83 -1.43 2.03 0.05 -4.86 116.55 107.60 1dwk n ASP 66 Ca 0.17 -0.90 -0.33 0.00 0.52 0.00 0.00 54.79 54.26 1dwk n ASP 66 Cb 0.52 -3.67 -0.06 0.00 -0.72 0.00 0.00 41.12 37.19 1dwk n ASP 66 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dwk s LEU 67 N -6.77 3.96 0.86 -2.67 1.43 -0.16 -5.04 118.68 110.29 1dwk s LEU 67 Ca 0.02 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 1dwk s LEU 67 Cb -0.01 -4.36 0.14 0.00 0.03 0.00 0.00 46.19 42.00 1dwk s LEU 67 CO 0.84 -0.32 1.20 1.51 0.23 0.00 0.00 176.35 179.81 1dwk s ASP 68 N -2.31 3.86 0.20 2.29 1.47 -1.26 -4.80 116.67 116.11 1dwk s ASP 68 Ca 0.59 0.35 -0.04 0.00 1.18 0.00 0.00 52.55 54.63 1dwk s ASP 68 Cb -0.10 -0.63 0.14 0.00 -0.34 0.00 0.00 42.92 41.99 1dwk s ASP 68 CO 0.16 -2.26 1.55 -0.33 0.68 0.00 0.00 175.17 174.97 1dwk h GLU 69 N -1.21 0.65 -1.01 2.11 4.39 -1.99 -1.79 114.58 115.73 1dwk h GLU 69 Ca -0.44 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 58.93 1dwk h GLU 69 Cb 1.27 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.88 1dwk h GLU 69 CO 0.49 0.95 0.67 -0.44 -1.16 0.00 0.00 179.01 179.52 1dwk h ASP 70 N 0.53 1.14 -0.19 1.42 5.19 -1.99 -1.87 116.42 120.64 1dwk h ASP 70 Ca 0.04 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 1dwk h ASP 70 Cb 0.95 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 1dwk h ASP 70 CO 0.09 0.81 -0.11 0.28 -3.12 0.00 0.00 179.24 177.18 1dwk h SER 71 N 1.33 0.43 -1.00 6.45 0.02 -1.87 -0.34 113.55 118.58 1dwk h SER 71 Ca 0.38 -0.43 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1dwk h SER 71 Cb -0.10 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.26 1dwk h SER 71 CO -0.10 0.76 0.65 0.40 -1.14 0.00 0.00 176.83 177.41 1dwk h ILE 72 N 0.10 1.12 -0.59 3.27 2.04 -1.24 -1.82 117.51 120.38 1dwk h ILE 72 Ca 0.04 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 1dwk h ILE 72 Cb 0.61 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1dwk h ILE 72 CO 0.03 0.22 0.07 0.25 0.00 0.00 0.00 178.15 178.72 1dwk h LEU 73 N 1.21 0.96 -1.41 1.44 5.85 -1.07 -3.06 115.31 119.23 1dwk h LEU 73 Ca 0.42 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1dwk h LEU 73 Cb 0.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1dwk h LEU 73 CO -0.16 1.00 0.17 -0.07 -0.34 0.00 0.00 178.44 179.04 1dwk h LEU 74 N 0.90 0.51 -1.85 2.25 3.38 -0.39 -2.01 115.31 118.10 1dwk h LEU 74 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1dwk h LEU 74 Cb 0.46 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1dwk h LEU 74 CO 0.02 0.46 -0.05 -0.07 0.09 0.00 0.00 178.44 178.88 1dwk h LEU 75 N 0.57 0.00 -6.08 1.67 3.38 -1.24 -3.45 115.31 110.15 1dwk h LEU 75 Ca 0.14 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.37 1dwk h LEU 75 Cb 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 1dwk h LEU 75 CO -0.02 0.05 2.45 0.00 0.09 0.00 0.00 178.44 181.01 1dwk n GLN 76 N -3.23 3.70 -4.71 1.13 6.02 -0.76 -0.80 117.38 118.72 1dwk n GLN 76 Ca -0.01 -3.25 -0.33 0.00 -0.01 0.00 0.00 57.00 53.41 1dwk n GLN 76 Cb 0.26 -2.92 -0.16 0.00 1.02 0.00 0.00 30.24 28.44 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 0.69 2.51 0.60 5.09 1.01 0.06 -4.67 121.20 126.49 1dwk s ILE 78 Ca 0.46 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 1dwk s ILE 78 Cb 0.13 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1dwk s ILE 78 CO -0.04 0.53 0.94 -2.16 0.00 0.00 0.00 174.94 174.22 1dwk s PRO 79 N 0.66 3.19 -0.71 2.79 0.04 -1.26 -0.45 135.00 139.26 1dwk s PRO 79 Ca -0.09 0.30 -0.23 0.00 0.04 0.00 0.00 61.00 61.02 1dwk s PRO 79 Cb -0.16 -2.20 0.07 0.00 0.04 0.00 0.00 34.50 32.25 1dwk s PRO 79 CO 0.02 -0.63 1.03 -1.17 0.04 0.00 0.00 177.00 176.29 1dwk s LEU 80 N -5.05 4.32 0.55 -3.56 1.98 -1.25 -4.74 118.68 110.92 1dwk s LEU 80 Ca 0.53 -1.08 -0.15 0.00 -2.89 0.00 0.00 54.13 50.54 1dwk s LEU 80 Cb -0.11 -2.44 -0.06 0.00 0.66 0.00 0.00 46.19 44.25 1dwk s LEU 80 CO 0.48 -1.44 1.01 -0.13 -1.89 0.00 0.00 176.35 174.38 1dwk s ARG 81 N 4.09 3.75 0.00 1.98 0.52 -1.26 -4.50 118.95 123.53 1dwk s ARG 81 Ca 0.25 0.97 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 1dwk s ARG 81 Cb -0.14 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1dwk s ARG 81 CO 0.07 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.37 1dwk n GLY 82 N -1.67 2.07 0.03 -3.53 0.00 -1.26 -5.06 105.19 95.76 1dwk n GLY 82 Ca 0.07 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.09 5.00 0.08 0.00 1.01 -1.26 -4.97 121.20 117.97 1dwk s ILE 84 Ca 0.08 1.49 -0.23 0.00 0.00 0.00 0.00 60.65 61.99 1dwk s ILE 84 Cb 0.16 -4.06 -0.15 0.00 0.01 0.00 0.00 42.46 38.41 1dwk s ILE 84 CO 0.73 0.26 1.71 -0.78 0.00 0.00 0.00 174.94 176.86 1dwk h ASP 85 N 6.61 0.00 -1.76 3.58 3.58 -1.90 -3.37 116.42 123.16 1dwk h ASP 85 Ca -0.41 -0.03 -0.46 0.00 0.42 0.00 0.00 57.03 56.54 1dwk h ASP 85 Cb 1.20 -0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.93 1dwk h ASP 85 CO 0.75 0.04 -0.88 -0.67 -2.88 0.00 0.00 179.24 175.60 1dwk n ASP 86 N -5.07 -1.10 0.00 2.28 2.03 -1.26 -5.04 116.55 108.39 1dwk n ASP 86 Ca -0.07 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.58 1dwk n ASP 86 Cb 0.05 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 2.33 0.00 -4.13 -0.67 1.74 -1.26 -4.74 116.66 109.93 1dwk n ARG 87 Ca 0.23 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.96 1dwk n ARG 87 Cb 0.52 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.84 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 3.98 0.44 0.55 -1.09 -1.26 -5.02 121.20 118.80 1dwk s ILE 88 Ca 0.00 -0.31 -0.25 0.00 -2.23 0.00 0.00 60.65 57.86 1dwk s ILE 88 Cb 0.00 -2.79 -0.09 0.00 -1.58 0.00 0.00 42.46 38.00 1dwk s ILE 88 CO 0.00 0.44 1.35 -2.65 -1.23 0.00 0.00 174.94 172.85 1dwk n PRO 89 N 4.09 2.07 0.01 2.79 -0.02 -1.26 -4.89 135.00 137.79 1dwk n PRO 89 Ca -0.17 0.74 0.01 0.00 -2.02 0.00 0.00 63.50 62.06 1dwk n PRO 89 Cb 0.52 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 1dwk n PRO 89 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1dwk n THR 90 N -0.24 0.99 -2.42 3.45 -2.24 -1.26 -4.72 114.28 107.84 1dwk n THR 90 Ca 0.06 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 1dwk n THR 90 Cb 0.41 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 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 -5.50 7.10 0.32 3.42 2.15 -1.26 -4.89 116.67 118.02 1dwk s ASP 91 Ca -0.05 2.11 0.02 0.00 0.43 0.00 0.00 52.55 55.05 1dwk s ASP 91 Cb 0.09 -2.59 0.57 0.00 -0.30 0.00 0.00 42.92 40.69 1dwk s ASP 91 CO 0.83 -0.40 1.94 -0.65 -0.17 0.00 0.00 175.17 176.72 1dwk h PRO 92 N 6.03 0.94 -0.33 4.34 0.11 -2.05 0.34 132.00 141.38 1dwk h PRO 92 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1dwk h PRO 92 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1dwk h PRO 92 CO 0.78 0.62 0.00 2.41 -0.21 0.00 0.00 178.00 181.60 1dwk n THR 93 N -4.47 0.00 0.00 -1.15 -1.04 -1.26 -2.16 114.28 104.20 1dwk n THR 93 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1dwk n THR 93 Cb 0.16 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.27 0.00 0.06 -1.42 9.36 0.12 -4.26 117.16 121.29 1dwk n TYR 95 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 1dwk n TYR 95 Cb 0.08 0.00 0.57 0.00 -0.63 0.00 0.00 39.34 39.36 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 0.22 -0.41 2.98 2.47 -1.69 0.25 114.38 118.20 1dwk h ARG 96 Ca 0.00 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.58 1dwk h ARG 96 Cb 0.00 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1dwk h ARG 96 CO 0.00 0.15 -0.26 0.74 0.56 0.00 0.00 179.97 181.15 1dwk h PHE 97 N 0.23 0.99 -0.66 3.04 0.04 -1.88 -2.75 116.94 115.94 1dwk h PHE 97 Ca 0.15 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 1dwk h PHE 97 Cb 0.32 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1dwk h PHE 97 CO -0.00 1.02 0.29 -0.92 -0.60 0.00 0.00 178.31 178.10 1dwk h TYR 98 N 0.73 0.99 0.00 -0.55 3.20 -1.53 -2.95 116.97 116.87 1dwk h TYR 98 Ca 0.09 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1dwk h TYR 98 Cb 0.81 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1dwk h TYR 98 CO 0.05 0.76 0.04 -1.91 -1.64 0.00 0.00 178.16 175.46 1dwk n GLU 99 N -4.43 0.25 0.00 1.82 2.13 0.72 -1.41 120.64 119.72 1dwk n GLU 99 Ca 0.05 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1dwk n GLU 99 Cb 0.15 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.44 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 2.03 0.00 0.05 4.31 7.94 -1.12 -0.90 117.00 129.32 1dwk n LEU 101 Ca 0.01 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.94 1dwk n LEU 101 Cb 0.12 0.00 0.40 0.00 0.53 0.00 0.00 43.42 44.47 1dwk n LEU 101 CO 0.03 0.00 1.02 1.56 -1.11 0.00 0.00 177.39 178.90 1dwk h GLN 102 N 0.00 0.41 0.07 1.96 1.08 -1.55 0.14 115.11 117.22 1dwk h GLN 102 Ca 0.00 -0.06 -0.25 0.00 -1.45 0.00 0.00 58.65 56.89 1dwk h GLN 102 Cb 0.00 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1dwk h GLN 102 CO 0.00 0.38 -1.32 0.28 -0.95 0.00 0.00 178.83 177.22 1dwk h VAL 103 N 0.41 1.01 -0.15 -0.54 2.07 -1.30 -3.42 116.25 114.33 1dwk h VAL 103 Ca 0.10 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1dwk h VAL 103 Cb 0.16 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1dwk h VAL 103 CO -0.00 0.60 0.00 -1.22 0.02 0.00 0.00 177.57 176.96 1dwk n TYR 104 N -4.08 0.18 -0.12 1.57 4.01 -1.23 -4.72 117.16 112.76 1dwk n TYR 104 Ca -0.27 -0.13 -0.08 0.00 -0.16 0.00 0.00 57.90 57.25 1dwk n TYR 104 Cb 0.82 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.84 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 3.04 0.55 1.90 2.72 0.00 -0.97 0.12 103.07 110.43 1dwk h GLY 105 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 1dwk h GLY 105 CO 0.00 0.22 -0.53 -0.91 0.00 0.00 0.00 176.54 175.32 1dwk h THR 106 N 0.50 1.37 -0.43 4.70 1.35 -1.84 -1.51 112.91 117.05 1dwk h THR 106 Ca 0.14 -1.81 -0.01 0.00 -0.55 0.00 0.00 66.41 64.17 1dwk h THR 106 Cb -0.01 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 1dwk h THR 106 CO -0.03 0.53 0.22 0.74 -0.25 0.00 0.00 175.52 176.73 1dwk h THR 107 N 0.08 1.17 -0.62 6.82 2.02 -1.67 -0.02 112.91 120.69 1dwk h THR 107 Ca -0.00 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1dwk h THR 107 Cb 0.96 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1dwk h THR 107 CO 0.07 0.18 0.35 -0.07 0.37 0.00 0.00 175.52 176.43 1dwk h LEU 108 N 0.55 0.77 -0.15 2.58 3.38 -0.59 0.03 115.31 121.88 1dwk h LEU 108 Ca 0.15 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1dwk h LEU 108 Cb 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1dwk h LEU 108 CO -0.02 0.63 -0.05 0.50 0.09 0.00 0.00 178.44 179.58 1dwk h LYS 109 N 0.85 -0.03 -0.56 1.13 3.64 -1.10 0.18 116.57 120.68 1dwk h LYS 109 Ca 0.22 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1dwk h LYS 109 Cb 0.02 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1dwk h LYS 109 CO -0.04 -0.02 0.24 0.00 -2.27 0.00 0.00 179.45 177.37 1dwk h ALA 110 N 1.12 0.73 0.00 5.00 0.00 -0.65 -1.01 119.26 124.45 1dwk h ALA 110 Ca 0.08 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1dwk h ALA 110 Cb 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1dwk h ALA 110 CO -0.17 0.32 -0.92 -0.07 0.00 0.00 0.00 179.25 178.41 1dwk h LEU 111 N 0.77 0.42 -0.57 0.00 3.38 -0.89 -1.20 115.31 117.22 1dwk h LEU 111 Ca 0.19 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1dwk h LEU 111 Cb 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1dwk h LEU 111 CO -0.02 1.14 0.33 0.58 0.09 0.00 0.00 178.44 180.56 1dwk h VAL 112 N 0.18 1.18 -0.53 1.22 2.07 -0.71 -0.17 116.25 119.48 1dwk h VAL 112 Ca -0.07 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1dwk h VAL 112 Cb 1.55 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1dwk h VAL 112 CO 0.15 0.19 -0.12 0.45 0.02 0.00 0.00 177.57 178.25 1dwk h HIS 113 N 0.76 1.13 -0.54 1.57 3.86 -1.05 -0.19 115.15 120.68 1dwk h HIS 113 Ca 0.20 -0.24 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1dwk h HIS 113 Cb 0.01 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 1dwk h HIS 113 CO -0.02 1.05 0.14 1.49 0.86 0.00 0.00 177.93 181.46 1dwk h GLU 114 N 0.89 0.86 0.19 2.45 4.81 -1.02 -1.15 114.58 121.62 1dwk h GLU 114 Ca 0.14 -0.20 -0.31 0.00 -0.13 0.00 0.00 59.36 58.85 1dwk h GLU 114 Cb 0.69 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.97 1dwk h GLU 114 CO 0.05 0.81 -1.40 0.87 -0.73 0.00 0.00 179.01 178.61 1dwk h LYS 115 N 0.77 0.40 0.00 1.92 1.57 -0.92 -3.41 116.57 116.90 1dwk h LYS 115 Ca 0.17 -0.68 -0.17 0.00 -1.87 0.00 0.00 60.65 58.10 1dwk h LYS 115 Cb 0.32 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1dwk h LYS 115 CO -0.00 1.32 -1.57 1.19 -0.57 0.00 0.00 179.45 179.82 1dwk n PHE 116 N -3.61 0.00 0.00 -1.35 3.01 -0.10 -5.09 117.46 110.32 1dwk n PHE 116 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1dwk n PHE 116 Cb 1.07 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 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 2.45 0.71 3.75 1.37 0.00 -0.43 -5.02 105.19 108.02 1dwk n GLY 117 Ca -0.20 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.38 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 -3.59 5.24 0.00 1.61 -1.08 -1.26 -4.04 116.67 113.56 1dwk s ASP 118 Ca 0.00 2.48 0.00 0.00 -0.52 0.00 0.00 52.55 54.51 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 -1.56 0.00 0.61 0.52 0.00 0.00 175.17 174.74 1dwk n GLY 119 N 0.59 0.47 3.19 2.66 0.00 -1.26 -1.36 105.19 109.48 1dwk n GLY 119 Ca 0.13 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.12 0.57 -0.22 -0.61 -4.36 -0.35 -4.88 121.20 110.23 1dwk s ILE 120 Ca 0.00 -1.94 -0.16 0.00 -0.26 0.00 0.00 60.65 58.29 1dwk s ILE 120 Cb 0.00 -1.89 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 1dwk s ILE 120 CO 0.00 -0.67 0.40 -0.63 0.24 0.00 0.00 174.94 174.28 1dwk s ILE 121 N -3.72 5.18 0.43 8.37 -1.09 -1.26 -1.08 121.20 128.03 1dwk s ILE 121 Ca 0.18 0.69 -0.25 0.00 -2.23 0.00 0.00 60.65 59.03 1dwk s ILE 121 Cb 0.06 -3.73 -0.08 0.00 -1.58 0.00 0.00 42.46 37.13 1dwk s ILE 121 CO -0.01 0.21 1.31 -0.55 -1.23 0.00 0.00 174.94 174.67 1dwk s SER 122 N 1.24 6.16 -0.08 3.58 0.15 0.20 -4.93 113.70 120.02 1dwk s SER 122 Ca 0.18 2.66 0.19 0.00 0.70 0.00 0.00 55.95 59.68 1dwk s SER 122 Cb -0.15 -2.64 0.67 0.00 -1.71 0.00 0.00 66.02 62.19 1dwk s SER 122 CO 0.08 -0.96 1.57 0.00 1.20 0.00 0.00 173.24 175.14 1dwk n ALA 123 N -0.06 2.83 -0.01 5.45 0.00 -1.26 -4.39 120.51 123.07 1dwk n ALA 123 Ca 0.05 -1.52 -0.04 0.00 0.00 0.00 0.00 53.44 51.93 1dwk n ALA 123 Cb 0.44 -0.93 -0.01 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 1.15 0.26 -2.86 0.00 2.08 -1.26 -4.73 119.36 114.01 1dwk n ILE 124 Ca 0.24 -0.02 -0.44 0.00 0.56 0.00 0.00 62.75 63.09 1dwk n ILE 124 Cb 0.79 -1.56 -0.01 0.00 -0.75 0.00 0.00 39.64 38.11 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 -5.36 6.84 -0.28 4.38 3.84 -1.26 -4.85 114.94 118.25 1dwk s ASN 125 Ca -0.05 -2.47 -0.24 0.00 0.21 0.00 0.00 52.86 50.32 1dwk s ASN 125 Cb 0.02 -2.44 0.09 0.00 -0.55 0.00 0.00 41.25 38.37 1dwk s ASN 125 CO 0.06 -0.98 0.85 0.12 -2.79 0.00 0.00 177.10 174.37 1dwk s PHE 126 N 2.60 -0.68 0.05 0.43 5.36 -1.26 -1.07 117.98 123.41 1dwk s PHE 126 Ca 0.41 1.61 -0.03 0.00 -0.96 0.00 0.00 56.93 57.97 1dwk s PHE 126 Cb -0.02 0.34 -0.03 0.00 -0.34 0.00 0.00 43.02 42.97 1dwk s PHE 126 CO -0.03 -0.33 0.02 -1.59 -1.46 0.00 0.00 175.22 171.83 1dwk s LYS 127 N 0.47 0.63 0.04 10.12 -2.85 -0.34 -5.01 119.74 122.81 1dwk s LYS 127 Ca -0.00 -1.10 -0.02 0.00 -1.00 0.00 0.00 55.97 53.85 1dwk s LYS 127 Cb -0.05 0.23 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 1dwk s LYS 127 CO -0.04 -0.14 0.00 -0.48 0.10 0.00 0.00 175.35 174.79 1dwk s LEU 128 N -2.76 2.25 0.07 2.77 0.05 -1.26 -1.03 118.68 118.77 1dwk s LEU 128 Ca 0.04 -0.78 -0.09 0.00 0.05 0.00 0.00 54.13 53.35 1dwk s LEU 128 Cb 0.06 0.29 0.00 0.00 -2.05 0.00 0.00 46.19 44.49 1dwk s LEU 128 CO -0.09 -0.52 0.20 1.51 -0.55 0.00 0.00 176.35 176.90 1dwk s ASP 129 N -2.42 0.07 -0.14 1.48 -4.77 -0.97 -4.81 116.67 105.11 1dwk s ASP 129 Ca -0.01 -0.52 0.02 0.00 -3.30 0.00 0.00 52.55 48.75 1dwk s ASP 129 Cb 0.02 0.32 0.01 0.00 -1.09 0.00 0.00 42.92 42.18 1dwk s ASP 129 CO -0.07 -0.65 -0.20 -0.69 0.70 0.00 0.00 175.17 174.25 1dwk s VAL 130 N -3.27 1.97 0.01 2.11 1.01 -1.26 -1.24 120.40 119.72 1dwk s VAL 130 Ca 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1dwk s VAL 130 Cb 0.02 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1dwk s VAL 130 CO -0.08 0.53 -0.24 -0.54 0.00 0.00 0.00 175.10 174.77 1dwk s LYS 131 N 0.95 1.81 -0.19 2.72 1.02 -0.24 -4.99 119.74 120.81 1dwk s LYS 131 Ca -0.04 -0.96 -0.13 0.00 0.02 0.00 0.00 55.97 54.86 1dwk s LYS 131 Cb -0.15 -1.85 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1dwk s LYS 131 CO -0.04 0.49 0.28 0.21 -0.92 0.00 0.00 175.35 175.37 1dwk s LYS 132 N -0.88 4.19 -0.03 1.68 2.20 -1.26 -0.90 119.74 124.73 1dwk s LYS 132 Ca 0.10 0.02 0.04 0.00 -0.36 0.00 0.00 55.97 55.76 1dwk s LYS 132 Cb -0.09 -3.48 -0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1dwk s LYS 132 CO 0.00 0.12 -0.14 0.08 -0.36 0.00 0.00 175.35 175.05 1dwk s VAL 133 N 0.84 1.18 0.26 4.02 1.01 -0.33 -4.99 120.40 122.38 1dwk s VAL 133 Ca 0.14 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 1dwk s VAL 133 Cb -0.13 -1.01 -0.13 0.00 0.00 0.00 0.00 36.38 35.11 1dwk s VAL 133 CO 0.05 0.34 1.48 0.00 0.00 0.00 0.00 175.10 176.97 1dwk n ALA 134 N 3.08 1.65 -2.67 5.51 0.00 -1.26 0.24 120.51 127.05 1dwk n ALA 134 Ca -0.17 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 1dwk n ALA 134 Cb 0.54 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 1dwk n ALA 134 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dwk s ASP 135 N 0.38 7.15 0.60 0.00 -1.08 -0.24 -4.74 116.67 118.73 1dwk s ASP 135 Ca 0.67 1.43 0.30 0.00 -0.52 0.00 0.00 52.55 54.42 1dwk s ASP 135 Cb -0.59 -2.54 1.67 0.00 -1.46 0.00 0.00 42.92 40.00 1dwk s ASP 135 CO 0.49 -0.56 2.07 -0.65 0.52 0.00 0.00 175.17 177.04 1dwk h PRO 136 N 7.30 0.00 -0.00 4.34 0.11 -1.94 0.11 132.00 141.92 1dwk h PRO 136 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1dwk h PRO 136 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1dwk h PRO 136 CO 0.92 0.00 -0.03 0.39 -0.21 0.00 0.00 178.00 179.07 1dwk n GLU 137 N -3.68 0.53 0.00 1.05 1.02 -1.26 -4.99 120.64 113.31 1dwk n GLU 137 Ca 0.02 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1dwk n GLU 137 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 1.27 3.51 3.63 0.62 0.00 0.37 -5.13 105.19 109.46 1dwk n GLY 138 Ca 0.15 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 0.09 -1.74 3.15 -0.02 0.00 -1.26 -4.58 105.19 100.83 1dwk n GLY 139 Ca 0.00 -1.66 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 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 0.77 0.17 1.61 2.02 -1.26 -1.08 118.70 120.93 1dwk s GLU 140 Ca 0.00 -0.94 0.10 0.00 0.02 0.00 0.00 54.97 54.15 1dwk s GLU 140 Cb 0.00 -0.71 -0.04 0.00 0.10 0.00 0.00 34.13 33.48 1dwk s GLU 140 CO 0.00 0.15 -0.21 1.03 0.02 0.00 0.00 175.26 176.25 1dwk s ARG 141 N -1.80 1.37 -0.12 1.61 0.52 0.14 -4.72 118.95 115.95 1dwk s ARG 141 Ca -0.03 -1.44 -0.03 0.00 -0.52 0.00 0.00 55.73 53.70 1dwk s ARG 141 Cb -0.09 -1.55 -0.03 0.00 0.52 0.00 0.00 34.95 33.79 1dwk s ARG 141 CO 0.02 0.33 0.00 0.00 0.02 0.00 0.00 175.30 175.67 1dwk s ALA 142 N -1.84 3.23 -0.35 2.13 0.00 -1.26 -1.19 121.76 122.48 1dwk s ALA 142 Ca 0.17 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1dwk s ALA 142 Cb -0.07 -1.58 0.06 0.00 0.00 0.00 0.00 23.12 21.53 1dwk s ALA 142 CO 0.08 0.41 0.11 0.08 0.00 0.00 0.00 175.76 176.44 1dwk s VAL 143 N -0.32 3.43 -0.29 0.00 1.01 -0.08 -4.97 120.40 119.18 1dwk s VAL 143 Ca 0.07 -1.46 -0.08 0.00 0.00 0.00 0.00 61.98 60.50 1dwk s VAL 143 Cb -0.12 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1dwk s VAL 143 CO 0.02 -0.31 0.11 -0.63 0.00 0.00 0.00 175.10 174.29 1dwk s ILE 144 N 1.29 4.38 -0.25 2.22 1.09 -1.26 -1.08 121.20 127.58 1dwk s ILE 144 Ca -0.00 -0.39 -0.09 0.00 -1.10 0.00 0.00 60.65 59.07 1dwk s ILE 144 Cb -0.21 -3.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.98 1dwk s ILE 144 CO -0.00 0.16 0.12 -0.89 -0.10 0.00 0.00 174.94 174.23 1dwk s THR 145 N 1.59 4.82 -0.30 2.92 2.01 -0.38 -4.97 115.64 121.34 1dwk s THR 145 Ca 0.05 -0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.95 1dwk s THR 145 Cb -0.16 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1dwk s THR 145 CO 0.05 0.32 0.15 -0.76 -0.69 0.00 0.00 174.62 173.69 1dwk s LEU 146 N 1.52 4.03 -0.32 4.42 1.43 -1.26 -2.30 118.68 126.20 1dwk s LEU 146 Ca 0.06 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1dwk s LEU 146 Cb -0.15 -2.02 0.10 0.00 0.03 0.00 0.00 46.19 44.14 1dwk s LEU 146 CO 0.06 -0.15 0.07 -0.62 0.23 0.00 0.00 176.35 175.94 1dwk s ASP 147 N 1.65 4.38 0.06 2.29 -1.08 -0.19 -5.01 116.67 118.76 1dwk s ASP 147 Ca 0.05 -1.87 0.07 0.00 -0.52 0.00 0.00 52.55 50.29 1dwk s ASP 147 Cb -0.17 -1.24 -0.03 0.00 -1.46 0.00 0.00 42.92 40.02 1dwk s ASP 147 CO 0.07 -0.39 -0.19 -0.83 0.52 0.00 0.00 175.17 174.34 1dwk s GLY 148 N 1.27 1.09 0.22 2.66 0.00 -1.26 -1.19 107.32 110.10 1dwk s GLY 148 Ca 0.10 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.45 1dwk s GLY 148 CO -0.16 -1.03 1.22 1.25 0.00 0.00 0.00 173.10 174.37 1dwk s LYS 149 N -1.39 4.48 -0.01 2.90 2.47 -0.23 -4.63 119.74 123.32 1dwk s LYS 149 Ca 0.06 1.93 -0.30 0.00 -1.56 0.00 0.00 55.97 56.10 1dwk s LYS 149 Cb -0.09 -3.21 -0.04 0.00 -1.46 0.00 0.00 37.83 33.03 1dwk s LYS 149 CO 0.02 -0.09 1.24 -0.47 0.16 0.00 0.00 175.35 176.21 1dwk s TYR 150 N -0.29 3.21 -0.18 4.03 5.04 -1.26 -0.63 117.35 127.27 1dwk s TYR 150 Ca 0.52 1.17 -0.00 0.00 -2.44 0.00 0.00 57.07 56.32 1dwk s TYR 150 Cb -0.34 -3.46 0.01 0.00 0.35 0.00 0.00 41.96 38.51 1dwk s TYR 150 CO 0.39 -1.50 -0.15 -0.51 -1.34 0.00 0.00 175.55 172.44 1dwk s LEU 151 N 1.88 2.42 0.36 6.97 1.43 -0.24 -4.97 118.68 126.53 1dwk s LEU 151 Ca 0.58 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 1dwk s LEU 151 Cb -0.27 -1.56 -0.10 0.00 0.03 0.00 0.00 46.19 44.28 1dwk s LEU 151 CO 0.25 0.03 0.87 -2.16 0.23 0.00 0.00 176.35 175.57 1dwk s PRO 152 N 1.12 4.26 -0.34 1.29 0.04 -1.26 -1.21 135.00 138.89 1dwk s PRO 152 Ca 0.00 1.03 -0.13 0.00 0.04 0.00 0.00 61.00 61.94 1dwk s PRO 152 Cb -0.14 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1dwk s PRO 152 CO -0.05 0.13 0.25 0.99 0.04 0.00 0.00 177.00 178.36 1dwk s THR 153 N -1.93 5.27 0.13 1.26 2.01 -0.46 -4.83 115.64 117.09 1dwk s THR 153 Ca 0.55 -0.19 0.11 0.00 0.31 0.00 0.00 61.69 62.47 1dwk s THR 153 Cb -0.12 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1dwk s THR 153 CO 0.17 -0.02 -0.27 -0.54 -0.69 0.00 0.00 174.62 173.27 1dwk s LYS 154 N 1.75 1.42 0.84 4.92 1.02 -1.26 -4.62 119.74 123.81 1dwk s LYS 154 Ca 0.07 -1.34 -0.14 0.00 0.02 0.00 0.00 55.97 54.58 1dwk s LYS 154 Cb -0.17 -1.91 0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1dwk s LYS 154 CO 0.11 0.45 0.80 -2.30 -0.92 0.00 0.00 175.35 173.49 1dwk n PRO 155 N 0.92 0.02 0.00 -1.68 -0.02 -1.26 -5.20 135.00 127.77 1dwk n PRO 155 Ca -0.18 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1dwk n PRO 155 Cb 0.53 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1dwk n PRO 155 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45