#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 1.09 0.05 9.51 -1.52 -1.26 -5.08 119.66 122.45 1dwk s GLN 3 Ca 0.00 -0.73 0.01 0.00 -1.95 0.00 0.00 55.36 52.69 1dwk s GLN 3 Cb 0.00 -1.11 -0.03 0.00 -0.22 0.00 0.00 33.01 31.65 1dwk s GLN 3 CO 0.00 0.28 -0.05 -1.54 -0.25 0.00 0.00 175.29 173.74 1dwk s SER 4 N -0.93 0.67 0.19 5.90 1.04 -1.26 -0.70 113.70 118.60 1dwk s SER 4 Ca 0.04 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 55.69 1dwk s SER 4 Cb -0.07 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 1dwk s SER 4 CO 0.01 -0.42 0.33 -1.10 0.98 0.00 0.00 173.24 173.03 1dwk s GLN 5 N -2.88 3.45 0.00 4.02 -1.52 0.19 -4.87 119.66 118.06 1dwk s GLN 5 Ca -0.00 -0.59 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 1dwk s GLN 5 Cb -0.00 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.87 1dwk s GLN 5 CO -0.05 0.47 0.00 0.44 -0.25 0.00 0.00 175.29 175.90 1dwk n ILE 6 N -0.82 0.00 -3.98 1.08 -5.35 -1.26 -4.09 119.36 104.94 1dwk n ILE 6 Ca -0.07 -0.29 -0.30 0.00 -0.27 0.00 0.00 62.75 61.82 1dwk n ILE 6 Cb 0.55 0.98 -0.16 0.00 -1.74 0.00 0.00 39.64 39.26 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 -0.63 3.24 0.62 7.28 2.47 -1.26 -4.93 114.94 121.73 1dwk s ASN 7 Ca 0.00 -0.81 0.40 0.00 0.42 0.00 0.00 52.86 52.86 1dwk s ASN 7 Cb 0.00 -1.18 2.01 0.00 -1.45 0.00 0.00 41.25 40.63 1dwk s ASN 7 CO 0.00 -0.14 2.23 0.08 -3.72 0.00 0.00 177.10 175.55 1dwk h ARG 8 N 8.00 0.00 0.00 0.43 0.11 -1.95 -2.97 114.38 118.00 1dwk h ARG 8 Ca -0.28 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.76 1dwk h ARG 8 Cb 1.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 1dwk h ARG 8 CO 0.47 0.01 -0.18 -0.91 0.10 0.00 0.00 179.97 179.46 1dwk h ASN 9 N 0.00 0.00 0.11 0.08 2.35 -1.95 -0.56 115.58 115.60 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 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1dwk h ASN 9 CO 0.00 0.18 -0.05 0.40 -1.65 0.00 0.00 177.43 176.31 1dwk h ILE 10 N 0.00 0.92 0.00 2.81 1.08 -1.96 0.69 117.51 121.04 1dwk h ILE 10 Ca -0.00 -0.08 -0.11 0.00 -0.39 0.00 0.00 64.86 64.28 1dwk h ILE 10 Cb 0.35 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1dwk h ILE 10 CO 0.02 0.02 -0.54 0.03 -0.69 0.00 0.00 178.15 177.00 1dwk h ARG 11 N -0.18 0.00 -0.01 2.37 2.47 -1.71 -2.18 114.38 115.15 1dwk h ARG 11 Ca -0.01 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.53 1dwk h ARG 11 Cb 0.14 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1dwk h ARG 11 CO 0.02 0.54 -0.81 -0.07 0.56 0.00 0.00 179.97 180.22 1dwk h LEU 12 N 0.00 0.18 -0.64 3.04 3.38 -0.89 0.17 115.31 120.54 1dwk h LEU 12 Ca -0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1dwk h LEU 12 Cb 1.11 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1dwk h LEU 12 CO 0.07 0.91 0.21 0.44 0.09 0.00 0.00 178.44 180.16 1dwk h ASP 13 N 0.08 0.93 -0.65 -0.43 3.32 -0.79 -2.21 116.42 116.66 1dwk h ASP 13 Ca -0.03 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1dwk h ASP 13 Cb 1.41 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1dwk h ASP 13 CO 0.12 0.88 0.42 0.25 -1.72 0.00 0.00 179.24 179.19 1dwk h LEU 14 N 0.92 0.72 -0.96 1.55 5.85 -1.19 -2.30 115.31 119.91 1dwk h LEU 14 Ca 0.21 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1dwk h LEU 14 Cb 0.28 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1dwk h LEU 14 CO -0.01 0.51 0.61 0.00 -0.34 0.00 0.00 178.44 179.21 1dwk h ALA 15 N 1.26 1.33 -0.62 1.25 0.00 -0.13 0.74 119.26 123.09 1dwk h ALA 15 Ca 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1dwk h ALA 15 Cb -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1dwk h ALA 15 CO -0.07 0.37 0.15 -0.44 0.00 0.00 0.00 179.25 179.26 1dwk h ASP 16 N 1.09 0.95 -0.76 0.00 3.32 -0.97 -0.40 116.42 119.65 1dwk h ASP 16 Ca 0.42 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1dwk h ASP 16 Cb 0.20 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1dwk h ASP 16 CO -0.18 0.93 0.31 0.00 -1.72 0.00 0.00 179.24 178.58 1dwk h ALA 17 N 1.05 0.98 -0.28 3.45 0.00 -0.84 -1.65 119.26 121.99 1dwk h ALA 17 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dwk h ALA 17 Cb 0.35 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1dwk h ALA 17 CO 0.00 0.60 0.16 0.82 0.00 0.00 0.00 179.25 180.83 1dwk h ILE 18 N 1.09 1.11 -0.56 0.00 2.04 -0.49 -1.16 117.51 119.54 1dwk h ILE 18 Ca 0.25 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 1dwk h ILE 18 Cb 0.20 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1dwk h ILE 18 CO -0.02 0.11 0.19 -0.07 0.00 0.00 0.00 178.15 178.36 1dwk h LEU 19 N 0.34 0.75 -0.23 1.44 3.38 -0.84 0.94 115.31 121.09 1dwk h LEU 19 Ca 0.10 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1dwk h LEU 19 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1dwk h LEU 19 CO -0.02 0.70 -0.06 0.25 0.09 0.00 0.00 178.44 179.40 1dwk h LEU 20 N 0.80 0.45 -0.20 1.67 5.85 -0.94 -1.10 115.31 121.85 1dwk h LEU 20 Ca 0.19 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1dwk h LEU 20 Cb 0.21 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1dwk h LEU 20 CO -0.01 0.72 0.13 -1.28 -0.34 0.00 0.00 178.44 177.65 1dwk h SER 21 N 0.18 0.23 -0.74 1.25 0.87 -0.97 -0.89 113.55 113.48 1dwk h SER 21 Ca 0.06 -0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.76 1dwk h SER 21 Cb 0.52 -0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 62.32 1dwk h SER 21 CO 0.02 0.18 0.21 0.50 -0.53 0.00 0.00 176.83 177.21 1dwk h LYS 22 N 0.26 0.31 -0.36 2.24 3.64 -0.79 -1.39 116.57 120.47 1dwk h LYS 22 Ca 0.07 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1dwk h LYS 22 Cb -0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1dwk h LYS 22 CO -0.02 0.20 -0.31 0.00 -2.27 0.00 0.00 179.45 177.06 1dwk h ALA 23 N 1.59 0.53 -0.32 5.00 0.00 -0.73 -0.74 119.26 124.59 1dwk h ALA 23 Ca 0.42 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1dwk h ALA 23 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1dwk h ALA 23 CO -0.48 0.57 -0.04 0.87 0.00 0.00 0.00 179.25 180.17 1dwk h LYS 24 N 0.65 0.51 -0.01 0.00 1.57 -0.88 -1.74 116.57 116.66 1dwk h LYS 24 Ca 0.06 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1dwk h LYS 24 Cb 0.89 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1dwk h LYS 24 CO 0.08 0.57 -0.18 1.63 -0.57 0.00 0.00 179.45 180.98 1dwk n LYS 25 N -4.26 0.79 -3.62 3.15 5.02 -0.55 -4.96 118.16 113.73 1dwk n LYS 25 Ca 0.01 -0.38 -0.22 0.00 -2.02 0.00 0.00 58.31 55.70 1dwk n LYS 25 Cb 0.27 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.85 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 -0.78 -3.98 -4.92 4.39 2.03 -0.37 -4.98 116.55 107.94 1dwk n ASP 26 Ca 0.13 -0.65 -0.29 0.00 0.52 0.00 0.00 54.79 54.50 1dwk n ASP 26 Cb 0.31 -4.72 -0.04 0.00 -0.72 0.00 0.00 41.12 35.96 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 -6.92 4.25 0.17 -2.67 1.02 -0.66 -5.04 118.68 108.82 1dwk s LEU 27 Ca 0.33 0.46 0.03 0.00 0.02 0.00 0.00 54.13 54.97 1dwk s LEU 27 Cb -0.15 -3.21 -0.03 0.00 0.02 0.00 0.00 46.19 42.82 1dwk s LEU 27 CO 0.76 0.00 0.27 -0.94 0.02 0.00 0.00 176.35 176.47 1dwk s SER 28 N -2.86 6.20 0.31 2.29 1.04 -1.26 -4.80 113.70 114.63 1dwk s SER 28 Ca 0.39 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.91 1dwk s SER 28 Cb -0.12 -1.83 0.47 0.00 0.10 0.00 0.00 66.02 64.65 1dwk s SER 28 CO 0.27 0.03 1.96 -0.26 0.98 0.00 0.00 173.24 176.23 1dwk h PHE 29 N 2.02 0.97 -0.47 5.02 0.04 -1.99 -1.47 116.94 121.07 1dwk h PHE 29 Ca -0.49 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.32 1dwk h PHE 29 Cb 1.20 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 1dwk h PHE 29 CO 0.53 0.64 0.27 0.00 -0.60 0.00 0.00 178.31 179.14 1dwk h ALA 30 N 1.49 0.59 -0.23 2.45 0.00 -1.95 -1.38 119.26 120.23 1dwk h ALA 30 Ca 0.27 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1dwk h ALA 30 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1dwk h ALA 30 CO -0.05 -0.05 -0.44 1.05 0.00 0.00 0.00 179.25 179.76 1dwk h GLU 31 N 0.53 0.57 -0.88 0.00 4.11 -1.92 -1.20 114.58 115.80 1dwk h GLU 31 Ca 0.19 -0.30 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 1dwk h GLU 31 Cb 0.04 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1dwk h GLU 31 CO -0.10 0.90 0.48 0.82 0.07 0.00 0.00 179.01 181.18 1dwk h ILE 32 N 0.46 1.26 0.00 -1.06 2.04 -1.04 -2.66 117.51 116.51 1dwk h ILE 32 Ca 0.03 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1dwk h ILE 32 Cb 0.95 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1dwk h ILE 32 CO 0.08 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1dwk h ALA 33 N 1.28 1.00 -2.57 1.87 0.00 -0.89 -3.45 119.26 116.51 1dwk h ALA 33 Ca 0.31 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.66 1dwk h ALA 33 Cb 0.04 0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.92 1dwk h ALA 33 CO -0.05 0.00 0.66 -3.47 0.00 0.00 0.00 179.25 176.39 1dwk n ASP 34 N -2.74 3.14 0.00 0.00 2.03 -0.48 -1.96 116.55 116.53 1dwk n ASP 34 Ca 0.05 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.53 1dwk n ASP 34 Cb 0.48 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 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 1.50 1.93 0.12 0.27 0.00 -1.26 -4.89 105.19 102.85 1dwk n GLY 35 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 0.32 0.00 2.61 1.35 -1.71 -3.48 112.91 112.00 1dwk h THR 36 Ca 0.00 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 1dwk h THR 36 Cb 0.00 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1dwk h THR 36 CO 0.00 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1dwk n GLY 37 N 1.27 0.86 3.56 5.82 0.00 -1.26 -4.85 105.19 110.59 1dwk n GLY 37 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 2.97 0.64 0.99 1.43 -1.26 -5.11 118.68 118.35 1dwk s LEU 38 Ca 0.00 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 1dwk s LEU 38 Cb 0.00 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1dwk s LEU 38 CO 0.00 0.18 1.15 0.00 0.23 0.00 0.00 176.35 177.92 1dwk s ALA 39 N -1.19 2.44 0.32 4.21 0.00 -1.26 -4.80 121.76 121.49 1dwk s ALA 39 Ca 0.20 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1dwk s ALA 39 Cb -0.11 -3.38 0.57 0.00 0.00 0.00 0.00 23.12 20.20 1dwk s ALA 39 CO 0.13 -1.30 1.94 1.05 0.00 0.00 0.00 175.76 177.57 1dwk h GLU 40 N 0.32 0.94 -0.53 0.00 4.11 -1.93 -0.68 114.58 116.80 1dwk h GLU 40 Ca -0.48 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 58.80 1dwk h GLU 40 Cb 1.27 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1dwk h GLU 40 CO 0.54 0.62 -0.04 0.00 0.07 0.00 0.00 179.01 180.20 1dwk h ALA 41 N 1.53 0.93 -0.07 1.06 0.00 -1.90 0.70 119.26 121.51 1dwk h ALA 41 Ca 0.35 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1dwk h ALA 41 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1dwk h ALA 41 CO -0.12 0.63 -0.14 0.35 0.00 0.00 0.00 179.25 179.98 1dwk h PHE 42 N 0.85 0.26 -0.26 0.00 3.57 -1.60 -1.95 116.94 117.82 1dwk h PHE 42 Ca 0.15 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 1dwk h PHE 42 Cb 0.56 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1dwk h PHE 42 CO 0.03 0.74 -0.31 0.28 -2.23 0.00 0.00 178.31 176.82 1dwk h VAL 43 N -0.28 1.28 -0.44 1.41 2.07 -1.12 -1.22 116.25 117.95 1dwk h VAL 43 Ca 0.00 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.06 1dwk h VAL 43 Cb 0.72 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1dwk h VAL 43 CO 0.03 0.44 -0.02 0.74 0.02 0.00 0.00 177.57 178.78 1dwk h THR 44 N 0.46 1.26 -0.97 2.57 2.02 -0.90 -0.94 112.91 116.41 1dwk h THR 44 Ca 0.06 -1.07 0.06 0.00 0.77 0.00 0.00 66.41 66.22 1dwk h THR 44 Cb 0.76 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1dwk h THR 44 CO 0.06 0.37 0.63 0.00 0.37 0.00 0.00 175.52 176.94 1dwk h ALA 45 N 0.90 1.33 -0.32 6.16 0.00 -1.06 -0.90 119.26 125.37 1dwk h ALA 45 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1dwk h ALA 45 Cb 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1dwk h ALA 45 CO 0.03 0.44 0.12 0.00 0.00 0.00 0.00 179.25 179.84 1dwk h ALA 46 N 1.43 0.41 -0.97 0.00 0.00 -0.64 0.15 119.26 119.64 1dwk h ALA 46 Ca 0.41 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1dwk h ALA 46 Cb 0.11 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1dwk h ALA 46 CO -0.16 0.02 0.61 -0.07 0.00 0.00 0.00 179.25 179.66 1dwk h LEU 47 N 0.36 0.86 -0.47 0.00 3.38 -0.29 -1.60 115.31 117.55 1dwk h LEU 47 Ca 0.10 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1dwk h LEU 47 Cb 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1dwk h LEU 47 CO -0.01 0.46 0.00 0.18 0.09 0.00 0.00 178.44 179.16 1dwk n LEU 48 N -4.59 0.66 0.00 1.67 4.77 -0.43 -4.18 117.00 114.90 1dwk n LEU 48 Ca 0.18 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1dwk n LEU 48 Cb 0.37 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1dwk n LEU 48 CO 0.28 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1dwk n GLY 49 N 0.65 0.80 0.23 -0.72 0.00 -0.60 -4.85 105.19 100.70 1dwk n GLY 49 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.37 0.05 -4.03 1.61 1.13 0.45 -4.66 117.38 109.55 1dwk n GLN 50 Ca 0.00 -0.82 -0.10 0.00 -1.94 0.00 0.00 57.00 54.14 1dwk n GLN 50 Cb 0.00 -1.10 -0.08 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 -0.54 1.20 -0.10 -1.09 -1.52 -1.22 -4.81 119.66 111.58 1dwk s GLN 51 Ca 0.07 -1.30 -0.03 0.00 -1.95 0.00 0.00 55.36 52.15 1dwk s GLN 51 Cb 0.05 0.36 -0.03 0.00 -0.22 0.00 0.00 33.01 33.16 1dwk s GLN 51 CO 0.08 -0.44 0.01 0.00 -0.25 0.00 0.00 175.29 174.70 1dwk s ALA 52 N -4.02 3.31 0.09 6.09 0.00 -1.26 -4.35 121.76 121.62 1dwk s ALA 52 Ca 0.23 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 1dwk s ALA 52 Cb 0.04 -1.56 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 1dwk s ALA 52 CO 0.04 0.52 0.50 -0.51 0.00 0.00 0.00 175.76 176.31 1dwk s LEU 53 N -0.68 4.41 0.78 0.00 1.43 -0.20 -4.98 118.68 119.44 1dwk s LEU 53 Ca 0.11 1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.12 1dwk s LEU 53 Cb -0.12 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.17 1dwk s LEU 53 CO 0.02 0.20 1.18 -2.84 0.23 0.00 0.00 176.35 175.14 1dwk s PRO 54 N -1.59 1.88 0.25 1.29 0.02 -1.26 -4.14 135.00 131.45 1dwk s PRO 54 Ca 0.32 1.65 -0.04 0.00 0.02 0.00 0.00 61.00 62.95 1dwk s PRO 54 Cb -0.16 -1.81 0.39 0.00 0.02 0.00 0.00 34.50 32.93 1dwk s PRO 54 CO 0.18 -2.01 1.83 0.00 -0.33 0.00 0.00 177.00 176.67 1dwk h ALA 55 N -0.76 1.22 -0.28 -1.55 0.00 -1.97 -0.20 119.26 115.71 1dwk h ALA 55 Ca -0.46 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1dwk h ALA 55 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1dwk h ALA 55 CO 0.48 0.19 -0.36 -0.44 0.00 0.00 0.00 179.25 179.12 1dwk h ASP 56 N 0.89 0.66 -0.43 0.00 3.32 -2.00 -0.64 116.42 118.23 1dwk h ASP 56 Ca 0.40 -0.28 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1dwk h ASP 56 Cb 0.29 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1dwk h ASP 56 CO -0.22 0.96 -0.16 0.00 -1.72 0.00 0.00 179.24 178.10 1dwk h ALA 57 N 1.07 0.81 -0.36 3.45 0.00 -1.77 -1.53 119.26 120.93 1dwk h ALA 57 Ca 0.05 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1dwk h ALA 57 Cb 0.87 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1dwk h ALA 57 CO 0.07 0.65 0.22 0.00 0.00 0.00 0.00 179.25 180.20 1dwk h ALA 58 N 1.00 0.45 -0.71 0.00 0.00 -0.61 -0.95 119.26 118.44 1dwk h ALA 58 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1dwk h ALA 58 Cb 0.71 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1dwk h ALA 58 CO 0.05 -0.11 0.29 0.00 0.00 0.00 0.00 179.25 179.48 1dwk h ARG 59 N 0.46 1.06 0.13 0.00 3.08 -0.94 -0.50 114.38 117.66 1dwk h ARG 59 Ca 0.14 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1dwk h ARG 59 Cb -0.02 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1dwk h ARG 59 CO -0.05 0.87 -0.06 1.25 -1.07 0.00 0.00 179.97 180.91 1dwk h LEU 60 N 1.01 -0.14 -0.81 3.04 5.85 -0.98 -1.09 115.31 122.19 1dwk h LEU 60 Ca 0.24 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 1dwk h LEU 60 Cb 0.20 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1dwk h LEU 60 CO -0.02 -0.07 -0.44 -0.37 -0.34 0.00 0.00 178.44 177.20 1dwk h VAL 61 N -0.21 1.32 -0.49 1.05 -1.51 -1.17 -2.22 116.25 113.03 1dwk h VAL 61 Ca -0.02 -1.61 0.00 0.00 -1.23 0.00 0.00 66.70 63.84 1dwk h VAL 61 Cb 0.16 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.00 1dwk h VAL 61 CO 0.03 0.49 0.32 1.23 -1.23 0.00 0.00 177.57 178.40 1dwk h GLY 62 N 1.21 0.69 1.15 5.19 0.00 -0.96 -1.42 103.07 108.92 1dwk h GLY 62 Ca 0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 1dwk h GLY 62 CO 0.07 0.26 -0.11 0.00 0.00 0.00 0.00 176.54 176.76 1dwk h ALA 63 N 1.17 0.80 -0.85 3.60 0.00 -0.88 0.13 119.26 123.22 1dwk h ALA 63 Ca 0.18 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1dwk h ALA 63 Cb -0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1dwk h ALA 63 CO -0.04 0.66 0.56 0.87 0.00 0.00 0.00 179.25 181.31 1dwk h LYS 64 N 0.89 0.97 -0.41 0.00 1.57 -1.16 -2.85 116.57 115.58 1dwk h LYS 64 Ca 0.14 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1dwk h LYS 64 Cb 0.67 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1dwk h LYS 64 CO 0.05 0.64 0.00 1.28 -0.57 0.00 0.00 179.45 180.85 1dwk n LEU 65 N -4.47 3.40 -3.77 2.94 4.77 -0.56 -4.97 117.00 114.34 1dwk n LEU 65 Ca 0.12 -1.49 -0.23 0.00 -0.03 0.00 0.00 56.01 54.38 1dwk n LEU 65 Cb 0.16 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1dwk n LEU 65 CO 0.34 0.74 -0.06 0.47 -1.33 0.00 0.00 177.39 177.55 1dwk n ASP 66 N 1.44 -1.65 -4.85 -1.43 8.00 -0.05 -4.88 116.55 113.12 1dwk n ASP 66 Ca 0.20 -0.84 -0.32 0.00 0.71 0.00 0.00 54.79 54.54 1dwk n ASP 66 Cb 0.59 -3.90 -0.05 0.00 -0.02 0.00 0.00 41.12 37.74 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 -6.81 3.90 0.80 0.64 1.43 0.24 -5.03 118.68 113.84 1dwk s LEU 67 Ca 0.11 1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1dwk s LEU 67 Cb -0.06 -4.18 0.09 0.00 0.03 0.00 0.00 46.19 42.07 1dwk s LEU 67 CO 0.82 -0.35 1.15 1.51 0.23 0.00 0.00 176.35 179.71 1dwk s ASP 68 N -2.69 4.39 0.28 2.29 1.47 -1.26 -4.82 116.67 116.34 1dwk s ASP 68 Ca 0.55 0.58 0.04 0.00 1.18 0.00 0.00 52.55 54.90 1dwk s ASP 68 Cb -0.10 -1.05 0.42 0.00 -0.34 0.00 0.00 42.92 41.85 1dwk s ASP 68 CO 0.24 -1.94 1.71 -0.33 0.68 0.00 0.00 175.17 175.53 1dwk h GLU 69 N -1.00 0.39 -0.64 2.11 4.39 -1.99 -1.79 114.58 116.05 1dwk h GLU 69 Ca -0.45 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.04 1dwk h GLU 69 Cb 1.31 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 1dwk h GLU 69 CO 0.60 0.67 0.18 -0.44 -1.16 0.00 0.00 179.01 178.86 1dwk h ASP 70 N 0.33 0.91 -0.30 1.42 5.19 -1.99 -1.55 116.42 120.43 1dwk h ASP 70 Ca 0.04 -0.16 -0.08 0.00 -0.62 0.00 0.00 57.03 56.21 1dwk h ASP 70 Cb 0.73 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1dwk h ASP 70 CO 0.06 0.86 -0.14 0.28 -3.12 0.00 0.00 179.24 177.18 1dwk h SER 71 N 0.94 0.65 -0.74 6.45 0.02 -1.85 0.35 113.55 119.37 1dwk h SER 71 Ca 0.21 -0.41 0.06 0.00 -0.84 0.00 0.00 61.79 60.81 1dwk h SER 71 Cb 0.29 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1dwk h SER 71 CO -0.01 0.91 0.49 0.40 -1.14 0.00 0.00 176.83 177.48 1dwk h ILE 72 N 0.38 1.03 -0.21 3.27 2.04 -1.18 -1.53 117.51 121.31 1dwk h ILE 72 Ca 0.07 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1dwk h ILE 72 Cb 0.66 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1dwk h ILE 72 CO 0.04 0.14 -0.28 0.25 0.00 0.00 0.00 178.15 178.31 1dwk h LEU 73 N 0.79 0.61 -1.43 1.44 5.85 -0.94 -3.07 115.31 118.57 1dwk h LEU 73 Ca 0.32 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1dwk h LEU 73 Cb 0.24 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1dwk h LEU 73 CO -0.11 1.00 0.40 -0.07 -0.34 0.00 0.00 178.44 179.32 1dwk h LEU 74 N 0.25 0.66 -2.08 2.25 3.38 -0.55 -0.88 115.31 118.33 1dwk h LEU 74 Ca 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1dwk h LEU 74 Cb 0.86 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1dwk h LEU 74 CO 0.07 0.47 -0.08 -0.07 0.09 0.00 0.00 178.44 178.92 1dwk h LEU 75 N 0.78 0.00 -6.09 1.67 3.38 -1.19 -3.45 115.31 110.40 1dwk h LEU 75 Ca 0.22 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.47 1dwk h LEU 75 Cb -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 1dwk h LEU 75 CO -0.05 0.08 2.88 0.00 0.09 0.00 0.00 178.44 181.43 1dwk n GLN 76 N -3.90 3.04 -4.90 1.13 6.02 -0.34 -1.03 117.38 117.41 1dwk n GLN 76 Ca -0.02 -2.82 -0.33 0.00 -0.01 0.00 0.00 57.00 53.82 1dwk n GLN 76 Cb 0.17 -3.20 -0.15 0.00 1.02 0.00 0.00 30.24 28.09 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 2.51 2.86 0.60 5.09 1.01 0.12 -4.65 121.20 128.74 1dwk s ILE 78 Ca 0.45 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 1dwk s ILE 78 Cb 0.13 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.45 1dwk s ILE 78 CO -0.07 0.55 0.93 -2.16 0.00 0.00 0.00 174.94 174.19 1dwk s PRO 79 N 0.05 2.93 -0.60 2.79 0.04 -1.26 -0.63 135.00 138.31 1dwk s PRO 79 Ca -0.06 0.07 -0.20 0.00 0.04 0.00 0.00 61.00 60.85 1dwk s PRO 79 Cb -0.15 -2.24 0.09 0.00 0.04 0.00 0.00 34.50 32.24 1dwk s PRO 79 CO 0.05 -0.74 0.78 -1.17 0.04 0.00 0.00 177.00 175.96 1dwk s LEU 80 N -5.04 4.99 0.51 -3.56 1.98 -1.26 -4.75 118.68 111.56 1dwk s LEU 80 Ca 0.54 -1.21 -0.17 0.00 -2.89 0.00 0.00 54.13 50.41 1dwk s LEU 80 Cb -0.11 -2.37 -0.08 0.00 0.66 0.00 0.00 46.19 44.30 1dwk s LEU 80 CO 0.46 -1.20 1.00 -0.13 -1.89 0.00 0.00 176.35 174.59 1dwk s ARG 81 N 3.15 3.87 0.00 1.98 0.52 -1.26 -4.46 118.95 122.74 1dwk s ARG 81 Ca 0.16 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 1dwk s ARG 81 Cb -0.21 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.14 1dwk s ARG 81 CO 0.08 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.47 1dwk n GLY 82 N -1.26 2.08 0.04 -3.53 0.00 -1.26 -5.05 105.19 96.22 1dwk n GLY 82 Ca 0.07 -0.14 0.12 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 -3.15 5.02 0.12 0.00 1.01 -1.26 -4.95 121.20 117.99 1dwk s ILE 84 Ca 0.06 1.52 -0.22 0.00 0.00 0.00 0.00 60.65 62.01 1dwk s ILE 84 Cb 0.14 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 1dwk s ILE 84 CO 0.75 0.24 1.69 -0.78 0.00 0.00 0.00 174.94 176.83 1dwk h ASP 85 N 6.78 -0.30 -1.34 3.58 3.58 -1.90 -3.37 116.42 123.45 1dwk h ASP 85 Ca -0.41 0.06 -0.44 0.00 0.42 0.00 0.00 57.03 56.66 1dwk h ASP 85 Cb 1.20 0.14 -0.31 0.00 1.72 0.00 0.00 39.33 42.08 1dwk h ASP 85 CO 0.75 -0.14 -0.91 -0.67 -2.88 0.00 0.00 179.24 175.40 1dwk n ASP 86 N -5.23 -0.77 0.00 2.28 2.03 -1.26 -5.03 116.55 108.57 1dwk n ASP 86 Ca -0.04 -2.94 0.00 0.00 0.52 0.00 0.00 54.79 52.32 1dwk n ASP 86 Cb 0.16 0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 -4.45 -0.67 1.74 -1.26 -4.76 116.66 108.59 1dwk n ARG 87 Ca 0.17 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.92 1dwk n ARG 87 Cb 0.58 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.87 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 3.03 0.53 0.55 -1.09 -1.26 -5.02 121.20 117.94 1dwk s ILE 88 Ca 0.00 -0.64 -0.22 0.00 -2.23 0.00 0.00 60.65 57.56 1dwk s ILE 88 Cb 0.00 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.52 1dwk s ILE 88 CO 0.00 0.50 1.28 -2.84 -1.23 0.00 0.00 174.94 172.65 1dwk s PRO 89 N 0.79 3.30 -0.07 2.79 0.02 -1.26 -4.88 135.00 135.69 1dwk s PRO 89 Ca -0.04 2.04 0.18 0.00 0.02 0.00 0.00 61.00 63.20 1dwk s PRO 89 Cb -0.15 -2.26 -0.23 0.00 0.02 0.00 0.00 34.50 31.88 1dwk s PRO 89 CO 0.01 -1.00 0.45 0.25 -0.33 0.00 0.00 177.00 176.38 1dwk n THR 90 N -0.94 1.05 -2.10 0.99 -2.24 -1.26 -4.71 114.28 105.08 1dwk n THR 90 Ca 0.10 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1dwk n THR 90 Cb 0.46 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 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 -5.43 6.76 0.21 3.42 2.15 -1.26 -4.89 116.67 117.63 1dwk s ASP 91 Ca -0.07 2.52 -0.09 0.00 0.43 0.00 0.00 52.55 55.34 1dwk s ASP 91 Cb 0.09 -2.61 0.21 0.00 -0.30 0.00 0.00 42.92 40.31 1dwk s ASP 91 CO 0.84 -0.64 1.84 -0.65 -0.17 0.00 0.00 175.17 176.38 1dwk h PRO 92 N 5.56 0.81 -0.10 4.34 0.11 -2.05 0.22 132.00 140.89 1dwk h PRO 92 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1dwk h PRO 92 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1dwk h PRO 92 CO 0.80 0.53 0.00 2.41 -0.21 0.00 0.00 178.00 181.53 1dwk n THR 93 N -4.69 0.00 0.00 -1.15 -1.04 -1.26 -1.86 114.28 104.28 1dwk n THR 93 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1dwk n THR 93 Cb 0.11 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 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 0.28 0.00 -0.12 -1.42 9.36 0.79 -4.22 117.16 121.83 1dwk n TYR 95 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 1dwk n TYR 95 Cb 0.02 0.00 0.48 0.00 -0.63 0.00 0.00 39.34 39.22 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 0.45 -0.17 2.98 2.47 -1.62 0.11 114.38 118.60 1dwk h ARG 96 Ca 0.00 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 1dwk h ARG 96 Cb 0.00 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 1dwk h ARG 96 CO 0.00 0.29 -0.48 0.74 0.56 0.00 0.00 179.97 181.09 1dwk h PHE 97 N 0.46 0.53 -0.77 3.04 0.04 -1.87 -2.78 116.94 115.59 1dwk h PHE 97 Ca 0.31 -0.17 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 1dwk h PHE 97 Cb 0.60 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 1dwk h PHE 97 CO -0.00 0.83 0.32 -0.92 -0.60 0.00 0.00 178.31 177.95 1dwk h TYR 98 N 0.35 1.15 0.00 -0.55 3.20 -1.59 -3.01 116.97 116.52 1dwk h TYR 98 Ca 0.02 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1dwk h TYR 98 Cb 0.97 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1dwk h TYR 98 CO 0.03 0.87 0.02 -1.91 -1.64 0.00 0.00 178.16 175.53 1dwk n GLU 99 N -4.33 0.20 0.00 1.82 2.13 0.27 -1.50 120.64 119.23 1dwk n GLU 99 Ca 0.07 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1dwk n GLU 99 Cb 0.17 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1dwk n GLU 99 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1dwk n LEU 101 N 1.96 0.00 0.07 4.31 4.77 -1.14 -1.04 117.00 125.92 1dwk n LEU 101 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1dwk n LEU 101 Cb 0.10 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.62 1dwk n LEU 101 CO 0.01 0.00 1.06 1.56 -1.33 0.00 0.00 177.39 178.69 1dwk h GLN 102 N 0.00 0.39 0.09 3.23 1.08 -1.58 0.22 115.11 118.54 1dwk h GLN 102 Ca 0.00 -0.04 -0.27 0.00 -1.45 0.00 0.00 58.65 56.88 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 0.34 -1.44 0.28 -0.95 0.00 0.00 178.83 177.06 1dwk h VAL 103 N 0.39 0.96 -0.24 -0.54 2.07 -1.38 -3.41 116.25 114.10 1dwk h VAL 103 Ca 0.10 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1dwk h VAL 103 Cb 0.10 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1dwk h VAL 103 CO -0.01 0.66 0.00 -1.22 0.02 0.00 0.00 177.57 177.02 1dwk n TYR 104 N -3.97 0.32 -0.25 1.57 4.01 -1.22 -4.70 117.16 112.91 1dwk n TYR 104 Ca -0.27 -0.29 -0.06 0.00 -0.16 0.00 0.00 57.90 57.11 1dwk n TYR 104 Cb 0.87 -0.01 0.05 0.00 -0.31 0.00 0.00 39.34 39.93 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 2.43 1.05 1.63 2.72 0.00 -0.80 0.11 103.07 110.21 1dwk h GLY 105 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1dwk h GLY 105 CO 0.00 0.48 -0.52 -0.91 0.00 0.00 0.00 176.54 175.59 1dwk h THR 106 N 0.96 1.34 -0.58 4.70 1.35 -1.84 -1.78 112.91 117.05 1dwk h THR 106 Ca 0.24 -1.77 -0.10 0.00 -0.55 0.00 0.00 66.41 64.23 1dwk h THR 106 Cb 0.08 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 1dwk h THR 106 CO -0.03 0.54 -0.02 0.74 -0.25 0.00 0.00 175.52 176.49 1dwk h THR 107 N 0.31 1.27 -0.46 6.82 2.02 -1.65 -0.57 112.91 120.64 1dwk h THR 107 Ca 0.01 -1.17 0.04 0.00 0.77 0.00 0.00 66.41 66.06 1dwk h THR 107 Cb 1.02 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1dwk h THR 107 CO 0.09 0.42 0.23 -0.07 0.37 0.00 0.00 175.52 176.56 1dwk h LEU 108 N 0.94 0.33 -0.02 2.58 3.38 -0.65 0.29 115.31 122.16 1dwk h LEU 108 Ca 0.16 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1dwk h LEU 108 Cb 0.58 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1dwk h LEU 108 CO 0.03 0.23 -0.17 0.50 0.09 0.00 0.00 178.44 179.13 1dwk h LYS 109 N 0.46 -0.26 -0.44 1.13 3.64 -1.15 -0.00 116.57 119.95 1dwk h LYS 109 Ca 0.20 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1dwk h LYS 109 Cb 0.11 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1dwk h LYS 109 CO -0.14 -0.17 0.19 0.00 -2.27 0.00 0.00 179.45 177.05 1dwk h ALA 110 N 0.68 0.57 -0.02 5.00 0.00 -0.81 -1.11 119.26 123.57 1dwk h ALA 110 Ca 0.06 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1dwk h ALA 110 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dwk h ALA 110 CO -0.18 0.16 -0.75 -0.07 0.00 0.00 0.00 179.25 178.41 1dwk h LEU 111 N 0.57 0.19 -0.50 0.00 3.38 -0.90 -0.95 115.31 117.09 1dwk h LEU 111 Ca 0.15 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1dwk h LEU 111 Cb 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1dwk h LEU 111 CO -0.01 0.87 0.07 0.58 0.09 0.00 0.00 178.44 180.03 1dwk h VAL 112 N 0.10 1.25 -0.15 1.22 2.07 -0.71 -0.04 116.25 119.98 1dwk h VAL 112 Ca -0.02 -0.96 -0.15 0.00 0.82 0.00 0.00 66.70 66.39 1dwk h VAL 112 Cb 1.33 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1dwk h VAL 112 CO 0.11 0.34 -0.53 0.45 0.02 0.00 0.00 177.57 177.96 1dwk h HIS 113 N 0.71 0.54 -0.47 1.57 3.86 -1.09 -1.08 115.15 119.19 1dwk h HIS 113 Ca 0.15 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1dwk h HIS 113 Cb 0.42 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1dwk h HIS 113 CO 0.03 0.87 0.10 1.49 0.86 0.00 0.00 177.93 181.28 1dwk h GLU 114 N 0.34 0.76 0.02 2.45 4.81 -0.94 -1.00 114.58 121.02 1dwk h GLU 114 Ca 0.01 -0.19 -0.23 0.00 -0.13 0.00 0.00 59.36 58.82 1dwk h GLU 114 Cb 1.04 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1dwk h GLU 114 CO 0.09 0.76 -1.16 0.87 -0.73 0.00 0.00 179.01 178.84 1dwk h LYS 115 N 0.64 0.04 0.00 1.92 1.57 -0.85 -3.41 116.57 116.48 1dwk h LYS 115 Ca 0.15 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1dwk h LYS 115 Cb 0.35 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1dwk h LYS 115 CO 0.00 0.96 -1.02 1.19 -0.57 0.00 0.00 179.45 180.01 1dwk n PHE 116 N -3.33 0.00 0.00 -1.35 3.72 -0.42 -5.10 117.46 110.98 1dwk n PHE 116 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1dwk n PHE 116 Cb 0.97 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 1dwk n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dwk n GLY 117 N 3.09 0.64 3.76 1.37 0.00 -0.38 -5.03 105.19 108.64 1dwk n GLY 117 Ca -0.01 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 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 5.31 0.00 1.61 2.15 -1.26 -4.02 116.67 116.86 1dwk s ASP 118 Ca 0.00 2.34 0.00 0.00 0.43 0.00 0.00 52.55 55.32 1dwk s ASP 118 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1dwk s ASP 118 CO 0.00 -1.51 0.00 0.61 -0.17 0.00 0.00 175.17 174.10 1dwk n GLY 119 N 0.43 0.58 3.13 2.66 0.00 -1.26 -1.42 105.19 109.31 1dwk n GLY 119 Ca 0.13 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.89 0.45 -0.27 -0.61 -4.36 -0.47 -4.87 121.20 109.17 1dwk s ILE 120 Ca 0.00 -1.88 -0.17 0.00 -0.26 0.00 0.00 60.65 58.34 1dwk s ILE 120 Cb 0.00 -1.64 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 1dwk s ILE 120 CO 0.00 -0.90 0.50 -0.63 0.24 0.00 0.00 174.94 174.15 1dwk s ILE 121 N -3.78 5.08 0.54 8.37 -1.09 -1.26 -1.35 121.20 127.69 1dwk s ILE 121 Ca 0.11 0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 59.07 1dwk s ILE 121 Cb 0.07 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 1dwk s ILE 121 CO -0.07 0.05 1.29 -0.55 -1.23 0.00 0.00 174.94 174.44 1dwk s SER 122 N 1.59 5.43 0.00 3.58 0.15 0.20 -4.93 113.70 119.72 1dwk s SER 122 Ca 0.20 2.61 0.21 0.00 0.70 0.00 0.00 55.95 59.67 1dwk s SER 122 Cb -0.16 -2.62 0.61 0.00 -1.71 0.00 0.00 66.02 62.14 1dwk s SER 122 CO 0.10 -1.45 1.51 0.00 1.20 0.00 0.00 173.24 174.60 1dwk n ALA 123 N -1.02 2.36 0.00 5.45 0.00 -1.26 -4.41 120.51 121.63 1dwk n ALA 123 Ca 0.10 -1.28 -0.04 0.00 0.00 0.00 0.00 53.44 52.23 1dwk n ALA 123 Cb 0.46 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 1.53 0.86 -2.63 0.00 2.08 -1.26 -4.69 119.36 115.25 1dwk n ILE 124 Ca 0.23 0.17 -0.43 0.00 0.56 0.00 0.00 62.75 63.28 1dwk n ILE 124 Cb 0.60 -1.67 -0.01 0.00 -0.75 0.00 0.00 39.64 37.81 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 -5.77 6.75 -0.19 4.38 3.84 -1.26 -4.87 114.94 117.82 1dwk s ASN 125 Ca -0.07 -2.19 -0.27 0.00 0.21 0.00 0.00 52.86 50.54 1dwk s ASN 125 Cb 0.02 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.25 1dwk s ASN 125 CO 0.09 -1.22 0.76 0.12 -2.79 0.00 0.00 177.10 174.06 1dwk s PHE 126 N 4.12 -0.68 0.11 0.43 5.36 -1.26 -1.66 117.98 124.40 1dwk s PHE 126 Ca 0.50 1.49 -0.09 0.00 -0.96 0.00 0.00 56.93 57.86 1dwk s PHE 126 Cb 0.02 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1dwk s PHE 126 CO 0.01 -0.43 0.22 -1.59 -1.46 0.00 0.00 175.22 171.97 1dwk s LYS 127 N -0.24 0.92 0.16 10.12 -2.85 -0.42 -5.02 119.74 122.41 1dwk s LYS 127 Ca -0.03 -0.98 0.02 0.00 -1.00 0.00 0.00 55.97 53.99 1dwk s LYS 127 Cb -0.03 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 36.05 1dwk s LYS 127 CO 0.03 -0.31 -0.03 -0.48 0.10 0.00 0.00 175.35 174.67 1dwk s LEU 128 N -2.88 2.26 0.04 2.77 0.05 -1.26 -1.43 118.68 118.24 1dwk s LEU 128 Ca 0.07 -1.12 -0.17 0.00 0.05 0.00 0.00 54.13 52.96 1dwk s LEU 128 Cb 0.04 -0.13 0.03 0.00 -2.05 0.00 0.00 46.19 44.09 1dwk s LEU 128 CO -0.09 -0.51 0.38 1.51 -0.55 0.00 0.00 176.35 177.09 1dwk s ASP 129 N -3.16 -0.23 -0.16 1.48 1.47 -0.95 -4.89 116.67 110.23 1dwk s ASP 129 Ca 0.21 -0.05 0.01 0.00 1.18 0.00 0.00 52.55 53.90 1dwk s ASP 129 Cb 0.05 0.40 0.01 0.00 -0.34 0.00 0.00 42.92 43.04 1dwk s ASP 129 CO 0.02 -0.64 -0.18 -0.69 0.68 0.00 0.00 175.17 174.36 1dwk s VAL 130 N -2.43 2.33 0.04 2.11 1.01 -1.26 -1.40 120.40 120.80 1dwk s VAL 130 Ca -0.06 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1dwk s VAL 130 Cb -0.01 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1dwk s VAL 130 CO -0.02 0.53 -0.24 -0.54 0.00 0.00 0.00 175.10 174.82 1dwk s LYS 131 N 1.02 1.66 -0.16 2.72 1.02 -0.41 -5.00 119.74 120.60 1dwk s LYS 131 Ca -0.02 -1.04 -0.15 0.00 0.02 0.00 0.00 55.97 54.78 1dwk s LYS 131 Cb -0.15 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1dwk s LYS 131 CO -0.05 0.47 0.35 0.21 -0.92 0.00 0.00 175.35 175.41 1dwk s LYS 132 N -1.19 4.27 0.05 1.68 2.20 -1.26 -1.06 119.74 124.42 1dwk s LYS 132 Ca 0.10 0.19 0.08 0.00 -0.36 0.00 0.00 55.97 55.98 1dwk s LYS 132 Cb -0.10 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1dwk s LYS 132 CO 0.02 0.18 -0.22 0.08 -0.36 0.00 0.00 175.35 175.05 1dwk s VAL 133 N 0.64 1.76 0.35 4.02 1.01 -0.37 -4.98 120.40 122.82 1dwk s VAL 133 Ca 0.19 -1.29 -0.28 0.00 0.00 0.00 0.00 61.98 60.60 1dwk s VAL 133 Cb -0.14 -1.54 -0.10 0.00 0.00 0.00 0.00 36.38 34.61 1dwk s VAL 133 CO 0.06 0.19 1.24 0.00 0.00 0.00 0.00 175.10 176.59 1dwk s ALA 134 N -0.85 3.37 -0.08 5.51 0.00 -1.26 -0.57 121.76 127.87 1dwk s ALA 134 Ca 0.08 1.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.93 1dwk s ALA 134 Cb -0.09 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1dwk s ALA 134 CO 0.02 -0.55 0.72 0.34 0.00 0.00 0.00 175.76 176.29 1dwk s ASP 135 N -0.74 6.98 0.56 0.00 -1.08 -0.44 -4.72 116.67 117.24 1dwk s ASP 135 Ca 0.51 1.18 0.25 0.00 -0.52 0.00 0.00 52.55 53.98 1dwk s ASP 135 Cb -0.36 -2.42 1.50 0.00 -1.46 0.00 0.00 42.92 40.18 1dwk s ASP 135 CO 0.47 -0.16 2.07 1.55 0.52 0.00 0.00 175.17 179.62 1dwk h PRO 136 N 6.87 0.00 -0.13 4.34 0.13 -1.95 -0.64 132.00 140.61 1dwk h PRO 136 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1dwk h PRO 136 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1dwk h PRO 136 CO 0.76 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.92 1dwk n GLU 137 N -4.13 1.47 0.00 0.86 1.02 -1.26 -5.00 120.64 113.60 1dwk n GLU 137 Ca 0.03 -0.71 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 1dwk n GLU 137 Cb 0.37 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.97 2.84 3.09 0.62 0.00 -0.25 -5.13 105.19 107.34 1dwk n GLY 138 Ca 0.14 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 0.96 -1.75 3.11 -0.02 0.00 -1.26 -4.60 105.19 101.63 1dwk n GLY 139 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 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 0.66 0.14 1.61 2.02 -1.26 -1.32 118.70 120.54 1dwk s GLU 140 Ca 0.00 -0.87 0.09 0.00 0.02 0.00 0.00 54.97 54.21 1dwk s GLU 140 Cb 0.00 -0.48 -0.04 0.00 0.10 0.00 0.00 34.13 33.71 1dwk s GLU 140 CO 0.00 0.09 -0.21 1.03 0.02 0.00 0.00 175.26 176.19 1dwk s ARG 141 N -1.81 1.26 -0.17 1.61 0.52 0.26 -4.75 118.95 115.88 1dwk s ARG 141 Ca -0.05 -1.32 -0.07 0.00 -0.52 0.00 0.00 55.73 53.77 1dwk s ARG 141 Cb -0.09 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.86 1dwk s ARG 141 CO 0.01 0.33 0.05 0.00 0.02 0.00 0.00 175.30 175.70 1dwk s ALA 142 N -1.52 3.36 -0.37 2.13 0.00 -1.26 -1.24 121.76 122.86 1dwk s ALA 142 Ca 0.12 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.25 1dwk s ALA 142 Cb -0.08 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.24 1dwk s ALA 142 CO 0.06 0.22 0.17 0.08 0.00 0.00 0.00 175.76 176.29 1dwk s VAL 143 N 0.26 3.99 -0.26 0.00 1.01 -0.23 -4.98 120.40 120.20 1dwk s VAL 143 Ca 0.03 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 1dwk s VAL 143 Cb -0.12 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1dwk s VAL 143 CO 0.01 -0.32 -0.02 -0.63 0.00 0.00 0.00 175.10 174.13 1dwk s ILE 144 N 1.41 3.15 -0.27 2.22 1.01 -1.26 -1.28 121.20 126.18 1dwk s ILE 144 Ca 0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1dwk s ILE 144 Cb -0.21 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1dwk s ILE 144 CO 0.03 0.16 0.13 -0.89 0.00 0.00 0.00 174.94 174.37 1dwk s THR 145 N 1.37 4.76 -0.25 2.92 2.01 -0.49 -4.96 115.64 121.00 1dwk s THR 145 Ca 0.01 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.84 1dwk s THR 145 Cb -0.17 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1dwk s THR 145 CO -0.03 0.27 0.16 -0.76 -0.69 0.00 0.00 174.62 173.57 1dwk s LEU 146 N 1.67 4.02 -0.31 4.42 1.43 -1.26 -2.23 118.68 126.42 1dwk s LEU 146 Ca 0.06 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1dwk s LEU 146 Cb -0.16 -2.09 0.10 0.00 0.03 0.00 0.00 46.19 44.08 1dwk s LEU 146 CO 0.07 0.03 0.11 -0.62 0.23 0.00 0.00 176.35 176.17 1dwk s ASP 147 N 1.27 3.93 0.08 2.29 -1.08 -0.51 -5.03 116.67 117.62 1dwk s ASP 147 Ca 0.07 -1.62 0.07 0.00 -0.52 0.00 0.00 52.55 50.55 1dwk s ASP 147 Cb -0.14 -0.78 -0.03 0.00 -1.46 0.00 0.00 42.92 40.50 1dwk s ASP 147 CO 0.06 -0.41 -0.20 -0.83 0.52 0.00 0.00 175.17 174.31 1dwk s GLY 148 N 1.65 1.14 0.32 2.66 0.00 -1.26 -1.30 107.32 110.52 1dwk s GLY 148 Ca 0.10 -1.15 -0.28 0.00 0.00 0.00 0.00 44.72 43.39 1dwk s GLY 148 CO -0.26 -1.14 1.14 1.25 0.00 0.00 0.00 173.10 174.09 1dwk s LYS 149 N -1.69 4.46 0.14 2.90 2.20 -0.66 -4.65 119.74 122.44 1dwk s LYS 149 Ca 0.05 1.84 -0.30 0.00 -0.36 0.00 0.00 55.97 57.21 1dwk s LYS 149 Cb -0.10 -3.03 -0.07 0.00 -1.51 0.00 0.00 37.83 33.13 1dwk s LYS 149 CO 0.03 0.04 1.12 -0.47 -0.36 0.00 0.00 175.35 175.71 1dwk s TYR 150 N -1.25 3.55 -0.13 4.03 5.04 -1.26 -0.63 117.35 126.70 1dwk s TYR 150 Ca 0.48 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.65 1dwk s TYR 150 Cb -0.32 -3.31 0.02 0.00 0.35 0.00 0.00 41.96 38.70 1dwk s TYR 150 CO 0.41 -0.75 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.21 1dwk s LEU 151 N 0.05 1.76 0.39 6.97 1.43 -0.46 -4.97 118.68 123.85 1dwk s LEU 151 Ca 0.52 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 1dwk s LEU 151 Cb -0.29 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.65 1dwk s LEU 151 CO 0.33 -0.01 0.84 -2.16 0.23 0.00 0.00 176.35 175.57 1dwk s PRO 152 N 1.23 4.04 -0.30 1.29 0.04 -1.26 -1.37 135.00 138.66 1dwk s PRO 152 Ca -0.00 0.82 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 1dwk s PRO 152 Cb -0.14 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1dwk s PRO 152 CO -0.07 0.02 0.27 0.99 0.04 0.00 0.00 177.00 178.25 1dwk s THR 153 N -2.17 5.25 0.16 1.26 2.01 -0.51 -4.83 115.64 116.81 1dwk s THR 153 Ca 0.57 0.12 0.10 0.00 0.31 0.00 0.00 61.69 62.78 1dwk s THR 153 Cb -0.10 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1dwk s THR 153 CO 0.19 0.11 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.48 1dwk s LYS 154 N 1.85 1.34 0.81 4.92 1.02 -1.26 -4.63 119.74 123.78 1dwk s LYS 154 Ca 0.09 -1.40 -0.13 0.00 0.02 0.00 0.00 55.97 54.55 1dwk s LYS 154 Cb -0.16 -1.54 0.09 0.00 -0.52 0.00 0.00 37.83 35.69 1dwk s LYS 154 CO 0.11 0.33 1.19 -2.14 -0.92 0.00 0.00 175.35 173.92 1dwk s PRO 155 N -2.57 1.64 0.00 -1.68 0.02 -1.26 -5.20 135.00 125.95 1dwk s PRO 155 Ca 0.16 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1dwk s PRO 155 Cb -0.07 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1dwk s PRO 155 CO 0.07 -2.20 0.00 1.97 -0.33 0.00 0.00 177.00 176.52