#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpk s LYS 2 N 0.00 2.74 0.38 0.03 1.02 -1.26 -5.07 119.74 117.58 1wpk s LYS 2 Ca 0.00 -2.10 0.05 0.00 0.02 0.00 0.00 55.97 53.94 1wpk s LYS 2 Cb 0.00 -3.99 -0.00 0.00 -0.52 0.00 0.00 37.83 33.32 1wpk s LYS 2 CO 0.00 -1.21 0.55 0.15 -0.92 0.00 0.00 175.35 173.91 1wpk s LYS 3 N 0.77 3.05 0.71 1.68 1.02 -1.26 -5.11 119.74 120.60 1wpk s LYS 3 Ca 0.11 -0.89 -0.07 0.00 0.02 0.00 0.00 55.97 55.14 1wpk s LYS 3 Cb -0.22 -2.73 0.06 0.00 -0.52 0.00 0.00 37.83 34.42 1wpk s LYS 3 CO -0.03 -0.09 1.03 0.00 -0.92 0.00 0.00 175.35 175.34 1wpk s ALA 4 N -2.32 3.09 0.36 5.17 0.00 -1.26 -4.95 121.76 121.86 1wpk s ALA 4 Ca 0.47 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1wpk s ALA 4 Cb -0.10 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1wpk s ALA 4 CO 0.33 -1.33 0.00 0.25 0.00 0.00 0.00 175.76 175.01 1wpk n THR 5 N -2.96 0.00 -0.56 0.00 -2.24 -1.26 -4.90 114.28 102.36 1wpk n THR 5 Ca 0.08 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1wpk n THR 5 Cb 0.60 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1wpk n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wpk h LEU 7 N 0.00 0.00 -7.80 0.00 4.07 -1.96 -3.48 115.31 106.14 1wpk h LEU 7 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.98 1wpk h LEU 7 Cb 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.66 1wpk h LEU 7 CO 0.00 0.02 0.15 0.28 -1.08 0.00 0.00 178.44 177.81 1wpk s THR 8 N -3.27 0.01 0.21 0.22 -1.32 -1.26 -5.04 115.64 105.18 1wpk s THR 8 Ca 0.04 -0.84 0.01 0.00 -1.21 0.00 0.00 61.69 59.68 1wpk s THR 8 Cb 0.07 -1.78 -0.06 0.00 -1.51 0.00 0.00 72.50 69.22 1wpk s THR 8 CO 0.73 -0.02 1.52 -0.78 -2.21 0.00 0.00 174.62 173.86 1wpk h ASP 9 N 2.07 0.42 -0.18 8.08 3.58 -2.01 -3.13 116.42 125.25 1wpk h ASP 9 Ca -0.24 -0.24 -0.12 0.00 0.42 0.00 0.00 57.03 56.85 1wpk h ASP 9 Cb 1.26 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1wpk h ASP 9 CO 0.30 0.92 -0.37 -0.78 -2.88 0.00 0.00 179.24 176.43 1wpk h ASP 10 N 0.27 0.63 -0.12 2.28 1.82 -2.01 -3.12 116.42 116.17 1wpk h ASP 10 Ca -0.01 -0.56 0.03 0.00 -0.39 0.00 0.00 57.03 56.11 1wpk h ASP 10 Cb 1.13 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.96 1wpk h ASP 10 CO 0.10 1.07 0.08 -0.61 -1.61 0.00 0.00 179.24 178.27 1wpk h GLN 11 N 0.21 0.01 0.27 0.28 5.75 -1.97 -2.28 115.11 117.39 1wpk h GLN 11 Ca 0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1wpk h GLN 11 Cb 0.97 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1wpk h GLN 11 CO 0.08 0.01 -0.13 0.00 -2.65 0.00 0.00 178.83 176.14 1wpk h ARG 12 N 0.01 -0.35 -0.94 1.69 3.08 -1.48 -2.37 114.38 114.02 1wpk h ARG 12 Ca 0.05 0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.36 1wpk h ARG 12 Cb 0.21 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 1wpk h ARG 12 CO -0.00 -0.19 0.63 -1.49 -1.07 0.00 0.00 179.97 177.85 1wpk h TRP 13 N -0.44 0.43 -0.95 3.04 -0.00 -1.45 0.26 115.95 116.84 1wpk h TRP 13 Ca -0.04 0.01 0.13 0.00 -0.00 0.00 0.00 58.89 58.99 1wpk h TRP 13 Cb 0.33 -0.13 -0.09 0.00 -0.00 0.00 0.00 29.16 29.28 1wpk h TRP 13 CO -0.04 0.09 0.57 1.96 -0.00 0.00 0.00 178.44 181.02 1wpk h GLN 14 N 0.30 0.85 -0.07 0.49 1.08 -1.29 1.21 115.11 117.69 1wpk h GLN 14 Ca 0.49 -0.05 -0.22 0.00 -1.45 0.00 0.00 58.65 57.42 1wpk h GLN 14 Cb 1.39 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1wpk h GLN 14 CO -0.16 0.57 -0.85 0.77 -0.95 0.00 0.00 178.83 178.21 1wpk h SER 15 N 0.88 0.70 -0.00 1.46 0.02 -0.98 -1.82 113.55 113.81 1wpk h SER 15 Ca 0.48 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1wpk h SER 15 Cb 0.54 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1wpk h SER 15 CO -0.29 1.28 -0.04 0.58 -1.14 0.00 0.00 176.83 177.23 1wpk h VAL 16 N 0.36 1.62 0.00 2.27 2.07 -1.11 -2.45 116.25 119.01 1wpk h VAL 16 Ca -0.07 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 1wpk h VAL 16 Cb 1.47 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 34.11 1wpk h VAL 16 CO 0.16 0.49 -0.20 -0.07 0.02 0.00 0.00 177.57 177.97 1wpk h LEU 17 N -0.75 0.00 -0.16 2.57 -0.00 0.13 -2.27 115.31 114.84 1wpk h LEU 17 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 1wpk h LEU 17 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 1wpk h LEU 17 CO 0.01 0.20 -0.74 0.00 -0.00 0.00 0.00 178.44 177.91 1wpk h ALA 18 N 1.80 0.58 -1.33 1.53 0.00 -1.38 -3.48 119.26 116.97 1wpk h ALA 18 Ca -0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 54.91 53.98 1wpk h ALA 18 Cb 0.38 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1wpk h ALA 18 CO 0.03 0.93 -0.29 -2.13 0.00 0.00 0.00 179.25 177.79 1wpk n ARG 19 N -3.37 -0.94 -1.49 0.00 0.63 -0.85 -4.89 116.66 105.75 1wpk n ARG 19 Ca 0.01 0.73 -0.45 0.00 -0.92 0.00 0.00 57.85 57.21 1wpk n ARG 19 Cb 0.80 -4.85 -0.07 0.00 0.45 0.00 0.00 32.46 28.79 1wpk n ARG 19 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1wpk n ASP 20 N -0.23 2.00 0.13 6.15 2.03 -1.20 -4.75 116.55 120.68 1wpk n ASP 20 Ca -0.14 0.15 0.11 0.00 0.52 0.00 0.00 54.79 55.43 1wpk n ASP 20 Cb 0.54 -1.31 0.50 0.00 -0.72 0.00 0.00 41.12 40.12 1wpk n ASP 20 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wpk n PRO 21 N 8.48 0.16 -1.04 -0.67 -0.04 -1.26 -2.19 135.00 138.43 1wpk n PRO 21 Ca 0.43 0.49 -0.19 0.00 -0.04 0.00 0.00 63.50 64.18 1wpk n PRO 21 Cb 0.29 -1.87 0.17 0.00 -0.04 0.00 0.00 33.50 32.05 1wpk n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wpk n ASN 22 N -2.18 3.74 -1.74 3.54 3.02 -1.26 -4.40 115.26 115.98 1wpk n ASN 22 Ca 0.01 -3.35 -0.05 0.00 -0.03 0.00 0.00 54.58 51.16 1wpk n ASN 22 Cb 0.16 -0.79 0.24 0.00 -0.61 0.00 0.00 39.78 38.78 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpk n ALA 23 N -0.83 4.13 -1.55 5.41 0.00 -0.93 -4.90 120.51 121.83 1wpk n ALA 23 Ca 0.50 -1.80 -0.19 0.00 0.00 0.00 0.00 53.44 51.96 1wpk n ALA 23 Cb 1.49 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 1wpk n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wpk n ASP 24 N -0.04 1.43 0.00 0.00 9.92 -1.26 0.65 116.55 127.25 1wpk n ASP 24 Ca 0.32 -1.17 0.00 0.00 -0.53 0.00 0.00 54.79 53.40 1wpk n ASP 24 Cb 1.16 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1wpk n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wpk n GLY 25 N 6.51 0.57 0.00 0.44 0.00 -1.26 -5.07 105.19 106.37 1wpk n GLY 25 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1wpk n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wpk n GLU 26 N 0.00 0.00 -3.63 1.61 -0.58 0.21 -4.97 120.64 113.28 1wpk n GLU 26 Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1wpk n GLU 26 Cb 0.00 -0.56 -0.06 0.00 -0.57 0.00 0.00 31.44 30.25 1wpk n GLU 26 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1wpk s PHE 27 N -0.26 -0.22 -0.06 -0.32 -0.71 -1.19 -4.76 117.98 110.45 1wpk s PHE 27 Ca 0.00 0.48 -0.20 0.00 -1.04 0.00 0.00 56.93 56.17 1wpk s PHE 27 Cb 0.00 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1wpk s PHE 27 CO 0.00 -0.14 0.57 0.14 -1.34 0.00 0.00 175.22 174.45 1wpk s VAL 28 N -0.36 5.05 -0.29 -2.49 -7.23 0.18 -3.84 120.40 111.42 1wpk s VAL 28 Ca 0.05 1.17 -0.18 0.00 -1.81 0.00 0.00 61.98 61.20 1wpk s VAL 28 Cb -0.03 -3.91 -0.02 0.00 0.56 0.00 0.00 36.38 32.98 1wpk s VAL 28 CO -0.08 0.35 0.53 -0.36 -0.31 0.00 0.00 175.10 175.23 1wpk s PHE 29 N 0.33 3.23 -0.05 2.82 0.08 -1.26 -0.58 117.98 122.55 1wpk s PHE 29 Ca 0.30 0.51 -0.22 0.00 0.12 0.00 0.00 56.93 57.65 1wpk s PHE 29 Cb -0.17 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 1wpk s PHE 29 CO 0.15 -0.38 0.63 0.00 -0.10 0.00 0.00 175.22 175.52 1wpk s ALA 30 N 2.38 3.41 -0.41 5.36 0.00 0.58 -4.03 121.76 129.05 1wpk s ALA 30 Ca 0.21 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 1wpk s ALA 30 Cb -0.15 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.15 1wpk s ALA 30 CO 0.11 0.01 0.36 0.08 0.00 0.00 0.00 175.76 176.31 1wpk s VAL 31 N 0.43 5.19 -0.03 0.00 1.01 0.36 -1.56 120.40 125.80 1wpk s VAL 31 Ca 0.33 -0.47 0.31 0.00 0.00 0.00 0.00 61.98 62.16 1wpk s VAL 31 Cb -0.17 -3.96 0.37 0.00 0.00 0.00 0.00 36.38 32.62 1wpk s VAL 31 CO 0.16 -0.33 1.92 -0.09 0.00 0.00 0.00 175.10 176.76 1wpk h ARG 32 N 8.65 0.00 -1.17 2.72 1.12 -1.85 0.63 114.38 124.49 1wpk h ARG 32 Ca -0.27 0.00 -0.41 0.00 -1.11 0.00 0.00 59.98 58.19 1wpk h ARG 32 Cb 1.12 0.00 -0.20 0.00 -0.01 0.00 0.00 29.97 30.88 1wpk h ARG 32 CO 0.75 0.00 0.53 0.25 -3.11 0.00 0.00 179.97 178.39 1wpk n THR 33 N -2.96 2.83 0.00 0.20 -2.24 -1.26 -4.27 114.28 106.58 1wpk n THR 33 Ca 0.01 -1.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 1wpk n THR 33 Cb 0.31 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1wpk n THR 33 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wpk n THR 34 N -0.37 0.00 -0.92 4.28 -2.24 -1.13 -5.02 114.28 108.88 1wpk n THR 34 Ca 0.42 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 1wpk n THR 34 Cb 0.93 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1wpk n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpk n GLY 35 N -0.53 1.19 3.69 3.38 0.00 0.22 -4.96 105.19 108.18 1wpk n GLY 35 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 1wpk n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wpk s ILE 36 N -2.15 1.33 0.15 -0.61 -4.36 -1.11 0.04 121.20 114.48 1wpk s ILE 36 Ca 0.00 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.37 1wpk s ILE 36 Cb 0.00 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 41.29 1wpk s ILE 36 CO 0.00 0.00 0.22 2.22 0.24 0.00 0.00 174.94 177.62 1wpk n PHE 37 N -1.13 -0.96 -2.52 1.37 -1.74 0.34 0.14 117.46 112.96 1wpk n PHE 37 Ca -0.14 -0.94 -0.23 0.00 -0.56 0.00 0.00 57.45 55.58 1wpk n PHE 37 Cb 0.67 0.25 0.07 0.00 1.52 0.00 0.00 39.48 41.99 1wpk n PHE 37 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1wpk s ARG 39 N -2.29 2.18 0.25 3.97 1.81 -1.18 -0.68 118.95 123.02 1wpk s ARG 39 Ca 0.11 -0.76 -0.10 0.00 -1.72 0.00 0.00 55.73 53.26 1wpk s ARG 39 Cb -0.01 -2.36 0.37 0.00 -0.45 0.00 0.00 34.95 32.50 1wpk s ARG 39 CO 0.08 -1.07 1.58 -1.35 -0.68 0.00 0.00 175.30 173.86 1wpk h PRO 40 N -0.28 -0.00 0.00 3.54 0.11 -1.83 -3.38 132.00 130.16 1wpk h PRO 40 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1wpk h PRO 40 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1wpk h PRO 40 CO 0.50 -0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.72 1wpk n SER 41 N -5.55 0.00 0.00 -2.05 7.64 -1.26 -3.18 113.62 109.22 1wpk n SER 41 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wpk n SER 41 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1wpk n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wpk n ARG 43 N 0.04 0.81 -3.88 0.00 0.63 -1.26 -4.48 116.66 108.53 1wpk n ARG 43 Ca 0.00 -1.94 -0.36 0.00 -0.92 0.00 0.00 57.85 54.63 1wpk n ARG 43 Cb 0.00 -1.39 -0.11 0.00 0.45 0.00 0.00 32.46 31.41 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wpk s ALA 44 N 0.38 3.29 -0.53 5.13 0.00 -1.26 -5.02 121.76 123.75 1wpk s ALA 44 Ca 0.31 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 51.05 1wpk s ALA 44 Cb 0.23 -2.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.25 1wpk s ALA 44 CO -0.20 -0.20 2.37 1.03 0.00 0.00 0.00 175.76 178.76 1wpk s ARG 45 N 1.08 2.09 -0.13 0.00 0.52 -1.26 -4.82 118.95 116.43 1wpk s ARG 45 Ca 0.04 1.27 -0.34 0.00 -0.52 0.00 0.00 55.73 56.19 1wpk s ARG 45 Cb -0.14 -4.59 0.14 0.00 0.52 0.00 0.00 34.95 30.87 1wpk s ARG 45 CO 0.03 -3.34 1.27 -1.58 0.02 0.00 0.00 175.30 171.70 1wpk s HIS 46 N 12.21 -0.07 0.05 -0.53 2.46 -1.26 -5.13 115.29 123.02 1wpk s HIS 46 Ca 0.95 0.01 0.00 0.00 0.47 0.00 0.00 55.06 56.49 1wpk s HIS 46 Cb -0.16 0.52 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 1wpk s HIS 46 CO 0.24 -0.19 0.00 0.00 -2.47 0.00 0.00 174.74 172.31 1wpk n ALA 47 N -0.25 -2.04 -0.93 1.58 0.00 -1.26 -5.00 120.51 112.61 1wpk n ALA 47 Ca -0.03 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.82 1wpk n ALA 47 Cb 0.60 -1.45 0.10 0.00 0.00 0.00 0.00 19.45 18.70 1wpk n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wpk n LEU 48 N 1.81 0.00 0.21 0.00 4.77 -1.26 -4.66 117.00 117.88 1wpk n LEU 48 Ca 0.00 -0.39 0.05 0.00 -0.03 0.00 0.00 56.01 55.64 1wpk n LEU 48 Cb 0.00 -0.36 0.46 0.00 -2.33 0.00 0.00 43.42 41.19 1wpk n LEU 48 CO 0.00 -1.60 0.84 0.03 -1.33 0.00 0.00 177.39 175.33 1wpk h ARG 49 N 0.00 0.00 0.00 3.23 3.08 -1.94 -2.78 114.38 115.97 1wpk h ARG 49 Ca -0.15 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.74 1wpk h ARG 49 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1wpk h ARG 49 CO 0.09 0.24 -1.86 -0.85 -1.07 0.00 0.00 179.97 176.52 1wpk n GLU 50 N -4.21 0.65 -1.10 0.04 0.00 -1.26 -4.24 120.64 110.53 1wpk n GLU 50 Ca -0.02 0.02 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 1wpk n GLU 50 Cb 0.30 -1.63 0.10 0.00 0.00 0.00 0.00 31.44 30.21 1wpk n GLU 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wpk n ASN 51 N -2.64 5.66 -3.73 -1.84 4.13 -1.07 -4.85 115.26 110.92 1wpk n ASN 51 Ca -0.14 -3.43 -0.20 0.00 1.68 0.00 0.00 54.58 52.49 1wpk n ASN 51 Cb 0.84 -0.91 -0.17 0.00 -1.54 0.00 0.00 39.78 38.00 1wpk n ASN 51 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1wpk s VAL 52 N -3.38 0.05 0.19 2.41 0.11 -1.08 -3.51 120.40 115.19 1wpk s VAL 52 Ca 0.50 0.28 0.06 0.00 -2.93 0.00 0.00 61.98 59.89 1wpk s VAL 52 Cb 0.40 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.97 1wpk s VAL 52 CO 0.03 0.18 0.10 -0.44 -3.33 0.00 0.00 175.10 171.65 1wpk s SER 53 N 1.80 5.26 -0.08 3.54 0.01 -0.60 -4.93 113.70 118.69 1wpk s SER 53 Ca 0.01 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.04 1wpk s SER 53 Cb -0.12 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 64.83 1wpk s SER 53 CO -0.03 0.05 -0.19 -0.36 0.41 0.00 0.00 173.24 173.12 1wpk s PHE 54 N -1.87 2.05 -0.02 2.43 0.08 -1.26 -0.31 117.98 119.09 1wpk s PHE 54 Ca 0.30 -0.82 0.06 0.00 0.12 0.00 0.00 56.93 56.59 1wpk s PHE 54 Cb -0.09 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.93 1wpk s PHE 54 CO 0.22 -0.36 -0.18 0.71 -0.10 0.00 0.00 175.22 175.51 1wpk s TYR 55 N 0.50 1.68 0.18 0.36 2.02 0.25 -4.96 117.35 117.38 1wpk s TYR 55 Ca -0.17 -0.34 -0.13 0.00 -0.37 0.00 0.00 57.07 56.06 1wpk s TYR 55 Cb -0.17 -1.09 0.08 0.00 -0.40 0.00 0.00 41.96 40.39 1wpk s TYR 55 CO 0.06 -0.05 1.82 0.00 -1.57 0.00 0.00 175.55 175.82 1wpk h ALA 56 N 5.76 0.75 -2.41 3.71 0.00 -1.86 0.50 119.26 125.70 1wpk h ALA 56 Ca -0.37 -0.07 -0.45 0.00 0.00 0.00 0.00 54.91 54.02 1wpk h ALA 56 Cb 1.15 -0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 1wpk h ALA 56 CO 0.48 0.22 -0.53 1.21 0.00 0.00 0.00 179.25 180.63 1wpk s ASN 57 N -5.80 1.76 0.04 0.00 3.04 -1.26 -4.34 114.94 108.37 1wpk s ASN 57 Ca -0.13 -1.64 -0.18 0.00 0.04 0.00 0.00 52.86 50.95 1wpk s ASN 57 Cb 0.13 0.47 -0.20 0.00 -1.54 0.00 0.00 41.25 40.11 1wpk s ASN 57 CO 0.76 -0.96 1.19 0.00 -3.04 0.00 0.00 177.10 175.06 1wpk h ALA 58 N 2.12 0.16 -0.33 1.71 0.00 -1.98 -3.08 119.26 117.87 1wpk h ALA 58 Ca -0.31 -0.54 0.09 0.00 0.00 0.00 0.00 54.91 54.15 1wpk h ALA 58 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1wpk h ALA 58 CO 0.48 0.41 0.23 0.66 0.00 0.00 0.00 179.25 181.03 1wpk h SER 59 N 0.09 0.02 0.08 0.00 4.64 -1.97 0.62 113.55 117.03 1wpk h SER 59 Ca -0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1wpk h SER 59 Cb 1.25 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1wpk h SER 59 CO 0.12 0.01 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.72 1wpk h GLU 60 N 0.02 -0.10 -0.16 4.77 4.39 -1.97 -1.88 114.58 119.65 1wpk h GLU 60 Ca 0.15 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 1wpk h GLU 60 Cb 0.59 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1wpk h GLU 60 CO -0.01 0.39 -0.23 0.00 -1.16 0.00 0.00 179.01 178.00 1wpk h ALA 61 N 0.14 0.25 -0.53 3.43 0.00 -1.33 -2.91 119.26 118.30 1wpk h ALA 61 Ca -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1wpk h ALA 61 Cb 0.55 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1wpk h ALA 61 CO 0.02 0.21 0.31 1.25 0.00 0.00 0.00 179.25 181.04 1wpk h LEU 62 N 0.08 0.50 -1.38 0.00 6.46 0.11 -1.90 115.31 119.18 1wpk h LEU 62 Ca 0.02 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1wpk h LEU 62 Cb 0.80 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 1wpk h LEU 62 CO 0.05 0.35 0.44 0.00 -0.62 0.00 0.00 178.44 178.66 1wpk h ALA 63 N 1.24 1.61 0.00 1.25 0.00 -1.36 -0.00 119.26 122.00 1wpk h ALA 63 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wpk h ALA 63 Cb 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1wpk h ALA 63 CO -0.11 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1wpk h ALA 64 N 1.61 1.00 0.00 0.00 0.00 -1.14 -3.45 119.26 117.27 1wpk h ALA 64 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wpk h ALA 64 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wpk h ALA 64 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1wpk n GLY 65 N -0.63 0.68 3.02 0.00 0.00 -0.02 -5.12 105.19 103.12 1wpk n GLY 65 Ca -0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1wpk n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpk s PHE 66 N -0.92 0.43 -0.07 1.61 0.40 -1.16 -4.92 117.98 113.35 1wpk s PHE 66 Ca 0.00 -0.58 -0.17 0.00 -0.60 0.00 0.00 56.93 55.58 1wpk s PHE 66 Cb 0.00 -0.28 -0.05 0.00 0.51 0.00 0.00 43.02 43.20 1wpk s PHE 66 CO 0.00 -0.17 0.44 1.03 0.70 0.00 0.00 175.22 177.22 1wpk s ARG 67 N -1.79 4.19 0.30 0.44 1.81 0.11 -4.41 118.95 119.60 1wpk s ARG 67 Ca -0.11 0.42 -0.28 0.00 -1.72 0.00 0.00 55.73 54.04 1wpk s ARG 67 Cb -0.08 -3.35 -0.09 0.00 -0.45 0.00 0.00 34.95 30.97 1wpk s ARG 67 CO -0.01 0.36 1.01 -1.25 -0.68 0.00 0.00 175.30 174.72 1wpk s PRO 68 N -0.04 4.60 -0.37 3.54 0.04 -1.26 0.13 135.00 141.64 1wpk s PRO 68 Ca 0.25 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.74 1wpk s PRO 68 Cb -0.16 -2.99 0.05 0.00 0.04 0.00 0.00 34.50 31.44 1wpk s PRO 68 CO 0.11 0.25 0.17 0.00 0.04 0.00 0.00 177.00 177.57 1wpk n LYS 70 N 4.88 2.56 -0.23 0.00 0.00 -1.26 -3.11 118.16 121.00 1wpk n LYS 70 Ca -0.11 -2.18 0.05 0.00 -0.00 0.00 0.00 58.31 56.07 1wpk n LYS 70 Cb 0.44 -1.92 0.17 0.00 -0.00 0.00 0.00 35.03 33.73 1wpk n LYS 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1wpk n ARG 71 N -0.28 2.02 0.00 -1.58 3.00 -1.26 -3.83 116.66 114.73 1wpk n ARG 71 Ca 0.35 -1.34 0.00 0.00 -0.00 0.00 0.00 57.85 56.86 1wpk n ARG 71 Cb 1.20 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 32.28 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wpk s GLN 73 N -1.90 0.15 0.01 0.00 -2.07 -1.26 -4.82 119.66 109.78 1wpk s GLN 73 Ca 0.00 -0.09 -0.36 0.00 -1.82 0.00 0.00 55.36 53.09 1wpk s GLN 73 Cb 0.00 0.01 -0.14 0.00 -1.09 0.00 0.00 33.01 31.79 1wpk s GLN 73 CO 0.00 -0.21 1.62 -2.30 -1.32 0.00 0.00 175.29 173.08 1wpk n PRO 74 N 3.30 1.74 -0.01 9.60 -0.02 -1.25 -4.87 135.00 143.49 1wpk n PRO 74 Ca 0.07 0.63 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 1wpk n PRO 74 Cb 0.64 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 1wpk n PRO 74 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1wpk n GLU 75 N 4.27 0.70 -2.66 -0.52 2.13 -1.26 -4.92 120.64 118.38 1wpk n GLU 75 Ca 0.20 0.01 -0.42 0.00 0.66 0.00 0.00 57.16 57.62 1wpk n GLU 75 Cb 0.24 -1.06 -0.03 0.00 0.27 0.00 0.00 31.44 30.86 1wpk n GLU 75 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wpk s LYS 76 N -2.06 3.38 -0.04 5.31 1.02 -1.26 -4.84 119.74 121.25 1wpk s LYS 76 Ca -0.03 -0.88 -0.23 0.00 0.02 0.00 0.00 55.97 54.85 1wpk s LYS 76 Cb 0.01 -4.71 -0.26 0.00 -0.52 0.00 0.00 37.83 32.35 1wpk s LYS 76 CO 0.07 -2.06 0.99 0.00 -0.92 0.00 0.00 175.35 173.44 1wpk h ALA 77 N 9.69 0.01 -1.51 5.17 0.00 -2.02 -3.41 119.26 127.19 1wpk h ALA 77 Ca -0.05 -0.56 -0.61 0.00 0.00 0.00 0.00 54.91 53.69 1wpk h ALA 77 Cb 1.04 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 1wpk h ALA 77 CO 1.29 0.24 0.92 0.54 0.00 0.00 0.00 179.25 182.24 1wpk s ASN 78 N -6.62 6.30 -0.01 0.00 2.20 -1.26 -4.85 114.94 110.71 1wpk s ASN 78 Ca -0.15 -1.09 -0.20 0.00 -0.94 0.00 0.00 52.86 50.48 1wpk s ASN 78 Cb 0.01 -2.48 -0.26 0.00 -2.00 0.00 0.00 41.25 36.52 1wpk s ASN 78 CO 0.79 -1.51 1.04 0.00 -2.94 0.00 0.00 177.10 174.47 1wpk h ALA 79 N 9.63 0.02 -3.25 3.54 0.00 -2.02 -3.43 119.26 123.74 1wpk h ALA 79 Ca -0.12 -0.62 -0.57 0.00 0.00 0.00 0.00 54.91 53.59 1wpk h ALA 79 Cb 1.05 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 1wpk h ALA 79 CO 1.24 0.38 -0.76 -0.65 0.00 0.00 0.00 179.25 179.46 1wpk s GLN 80 N -2.95 0.83 0.00 0.00 1.11 -1.26 -4.95 119.66 112.44 1wpk s GLN 80 Ca -0.13 -0.92 0.25 0.00 0.01 0.00 0.00 55.36 54.56 1wpk s GLN 80 Cb 0.03 -2.12 0.41 0.00 -1.01 0.00 0.00 33.01 30.32 1wpk s GLN 80 CO 0.83 -0.85 1.16 1.04 0.01 0.00 0.00 175.29 177.48 1wpk n GLN 81 N 4.86 0.00 -0.05 2.91 6.02 -1.26 -4.84 117.38 125.02 1wpk n GLN 81 Ca -0.05 -1.95 -0.06 0.00 -0.01 0.00 0.00 57.00 54.93 1wpk n GLN 81 Cb 0.43 0.02 -0.07 0.00 1.02 0.00 0.00 30.24 31.64 1wpk n GLN 81 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1wpk n HIS 82 N 0.48 0.00 -0.03 1.08 8.25 -1.26 -4.13 115.22 119.60 1wpk n HIS 82 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 1wpk n HIS 82 Cb 1.13 -0.49 -0.11 0.00 1.12 0.00 0.00 29.99 31.64 1wpk n HIS 82 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wpk h ARG 83 N 0.00 0.13 0.00 -0.41 3.08 -2.00 -2.72 114.38 112.46 1wpk h ARG 83 Ca -0.27 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.57 1wpk h ARG 83 Cb 1.58 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 1wpk h ARG 83 CO 0.00 0.80 -0.41 1.25 -1.07 0.00 0.00 179.97 180.55 1wpk h LEU 84 N -0.50 0.00 -0.76 3.04 6.46 -1.89 -2.77 115.31 118.88 1wpk h LEU 84 Ca -0.01 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.62 1wpk h LEU 84 Cb 0.84 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1wpk h LEU 84 CO 0.03 0.41 -0.54 -0.78 -0.62 0.00 0.00 178.44 176.94 1wpk h ASP 85 N 0.00 0.25 0.42 1.25 1.82 -1.71 -2.50 116.42 115.94 1wpk h ASP 85 Ca -0.00 -0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.49 1wpk h ASP 85 Cb 0.77 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.71 1wpk h ASP 85 CO 0.05 0.74 -0.20 0.11 -1.61 0.00 0.00 179.24 178.33 1wpk h LYS 86 N 0.17 -0.54 -0.78 0.28 1.57 -1.20 -2.54 116.57 113.54 1wpk h LYS 86 Ca 0.00 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1wpk h LYS 86 Cb 1.00 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 1wpk h LYS 86 CO 0.08 -0.23 0.51 -0.84 -0.57 0.00 0.00 179.45 178.40 1wpk h ILE 87 N -0.99 0.96 -0.83 1.86 -0.00 -1.59 -0.41 117.51 116.51 1wpk h ILE 87 Ca -0.06 -0.25 -0.02 0.00 -0.00 0.00 0.00 64.86 64.53 1wpk h ILE 87 Cb 0.55 0.17 -0.04 0.00 -0.00 0.00 0.00 36.82 37.50 1wpk h ILE 87 CO 0.09 0.13 0.42 0.74 -0.00 0.00 0.00 178.15 179.54 1wpk h THR 88 N 0.73 1.25 -0.22 0.16 2.02 -1.45 0.13 112.91 115.53 1wpk h THR 88 Ca 0.35 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.72 1wpk h THR 88 Cb 0.41 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1wpk h THR 88 CO -0.13 0.29 -0.45 -0.74 0.37 0.00 0.00 175.52 174.87 1wpk h HIS 89 N 1.17 0.68 -0.21 3.16 2.76 -0.69 -2.72 115.15 119.30 1wpk h HIS 89 Ca 0.29 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1wpk h HIS 89 Cb 0.08 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1wpk h HIS 89 CO 0.01 0.91 -0.02 0.00 -1.30 0.00 0.00 177.93 177.53 1wpk h ALA 90 N 1.06 0.28 -0.68 5.26 0.00 -0.59 0.13 119.26 124.72 1wpk h ALA 90 Ca 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1wpk h ALA 90 Cb 0.96 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1wpk h ALA 90 CO 0.09 0.02 0.43 0.00 0.00 0.00 0.00 179.25 179.78 1wpk h ARG 92 N 0.83 0.00 0.00 0.00 2.47 -1.42 -3.12 114.38 113.14 1wpk h ARG 92 Ca 0.28 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.90 1wpk h ARG 92 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1wpk h ARG 92 CO -0.11 0.53 -0.43 1.25 0.56 0.00 0.00 179.97 181.77 1wpk h LEU 93 N 0.00 0.00 -3.95 3.04 6.46 0.10 -2.82 115.31 118.14 1wpk h LEU 93 Ca -0.01 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 57.22 1wpk h LEU 93 Cb 1.18 0.00 -0.29 0.00 -0.73 0.00 0.00 40.66 40.81 1wpk h LEU 93 CO 0.07 0.43 0.64 0.00 -0.62 0.00 0.00 178.44 178.96 1wpk n LEU 94 N -4.01 6.75 -4.57 2.25 -0.00 -0.76 -4.92 117.00 111.75 1wpk n LEU 94 Ca -0.02 -3.78 -0.20 0.00 -0.00 0.00 0.00 56.01 52.01 1wpk n LEU 94 Cb 0.46 -0.85 -0.07 0.00 -0.00 0.00 0.00 43.42 42.96 1wpk n LEU 94 CO 0.40 1.17 1.27 -0.70 -0.00 0.00 0.00 177.39 179.53 1wpk s GLU 95 N -3.41 1.97 0.21 1.47 2.12 -1.07 -4.83 118.70 115.15 1wpk s GLU 95 Ca 0.58 -0.13 -0.14 0.00 0.36 0.00 0.00 54.97 55.63 1wpk s GLU 95 Cb 0.48 -4.97 0.01 0.00 0.26 0.00 0.00 34.13 29.91 1wpk s GLU 95 CO 0.08 -4.20 0.46 -0.65 -0.54 0.00 0.00 175.26 170.40 1wpk s GLN 96 N 7.88 1.40 -0.05 4.30 -0.21 -1.26 -5.06 119.66 126.66 1wpk s GLN 96 Ca 0.80 -1.06 0.09 0.00 0.02 0.00 0.00 55.36 55.21 1wpk s GLN 96 Cb -0.08 0.48 -0.24 0.00 1.00 0.00 0.00 33.01 34.17 1wpk s GLN 96 CO 0.07 -0.58 0.65 0.93 -2.12 0.00 0.00 175.29 174.24 1wpk h GLU 97 N 2.29 0.05 -6.80 2.91 5.08 -2.06 -3.47 114.58 112.58 1wpk h GLU 97 Ca -0.28 -0.09 -0.48 0.00 -1.00 0.00 0.00 59.36 57.51 1wpk h GLU 97 Cb 1.25 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1wpk h GLU 97 CO 0.39 0.64 0.31 0.99 -1.00 0.00 0.00 179.01 180.34 1wpk s THR 98 N -2.60 4.22 -0.19 1.13 2.01 -1.26 -4.96 115.64 113.99 1wpk s THR 98 Ca -0.07 1.83 -0.35 0.00 0.31 0.00 0.00 61.69 63.40 1wpk s THR 98 Cb 0.08 -4.08 -0.12 0.00 0.01 0.00 0.00 72.50 68.39 1wpk s THR 98 CO 0.82 0.25 1.93 -2.65 -0.69 0.00 0.00 174.62 174.28 1wpk n PRO 99 N 0.85 1.72 -3.36 4.92 -0.02 -1.26 -4.95 135.00 132.89 1wpk n PRO 99 Ca 0.00 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 1wpk n PRO 99 Cb 0.49 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 1wpk n PRO 99 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wpk s VAL 100 N 4.81 4.87 0.07 -1.45 0.11 -1.26 -5.03 120.40 122.51 1wpk s VAL 100 Ca 0.98 0.76 -0.31 0.00 -2.93 0.00 0.00 61.98 60.48 1wpk s VAL 100 Cb -0.80 -3.71 -0.08 0.00 -1.53 0.00 0.00 36.38 30.27 1wpk s VAL 100 CO 0.54 0.17 1.51 0.42 -3.33 0.00 0.00 175.10 174.41 1wpk s THR 101 N -1.55 3.25 0.15 5.04 -4.23 -1.26 -4.92 115.64 112.13 1wpk s THR 101 Ca 0.40 0.76 -0.13 0.00 -1.18 0.00 0.00 61.69 61.54 1wpk s THR 101 Cb -0.14 -3.49 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1wpk s THR 101 CO 0.19 0.02 1.63 0.25 -0.54 0.00 0.00 174.62 176.17 1wpk h LEU 102 N 7.97 0.78 -2.20 4.79 5.85 -2.02 -2.60 115.31 127.89 1wpk h LEU 102 Ca -0.41 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.06 1wpk h LEU 102 Cb 1.20 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1wpk h LEU 102 CO 0.91 0.85 0.02 1.05 -0.34 0.00 0.00 178.44 180.93 1wpk h GLU 103 N 0.69 0.00 -0.36 1.25 4.11 -1.98 -2.14 114.58 116.14 1wpk h GLU 103 Ca 0.15 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.63 1wpk h GLU 103 Cb 0.40 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1wpk h GLU 103 CO 0.01 0.00 0.08 0.00 0.07 0.00 0.00 179.01 179.17 1wpk h ALA 104 N 1.98 0.39 -0.06 1.06 0.00 -1.85 0.42 119.26 121.20 1wpk h ALA 104 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1wpk h ALA 104 Cb 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wpk h ALA 104 CO -0.00 -0.32 -0.12 -0.07 0.00 0.00 0.00 179.25 178.74 1wpk h LEU 105 N 0.21 0.08 -1.07 0.00 3.38 -1.48 -0.02 115.31 116.40 1wpk h LEU 105 Ca 0.17 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1wpk h LEU 105 Cb 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1wpk h LEU 105 CO -0.21 0.21 -0.31 0.00 0.09 0.00 0.00 178.44 178.21 1wpk h ALA 106 N 1.80 1.04 -0.34 1.53 0.00 -0.46 -2.90 119.26 119.93 1wpk h ALA 106 Ca 0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1wpk h ALA 106 Cb 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wpk h ALA 106 CO 0.02 0.39 -0.20 0.22 0.00 0.00 0.00 179.25 179.68 1wpk h ASP 107 N 0.00 0.77 -0.24 0.00 1.82 0.17 0.31 116.42 119.25 1wpk h ASP 107 Ca -0.00 -0.42 -0.14 0.00 -0.39 0.00 0.00 57.03 56.08 1wpk h ASP 107 Cb 0.80 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1wpk h ASP 107 CO 0.04 1.02 -0.34 1.56 -1.61 0.00 0.00 179.24 179.91 1wpk h GLN 108 N 0.52 0.76 0.00 0.28 1.08 -1.43 -2.96 115.11 113.35 1wpk h GLN 108 Ca 0.07 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1wpk h GLN 108 Cb 0.75 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1wpk h GLN 108 CO 0.06 0.99 -0.29 -0.39 -0.95 0.00 0.00 178.83 178.25 1wpk h VAL 109 N 0.64 0.00 -3.70 -0.54 -1.51 -1.48 -3.48 116.25 106.19 1wpk h VAL 109 Ca 0.06 -0.77 -0.27 0.00 -1.23 0.00 0.00 66.70 64.49 1wpk h VAL 109 Cb 0.88 1.61 0.07 0.00 -2.13 0.00 0.00 31.29 31.71 1wpk h VAL 109 CO 0.08 0.00 -0.43 0.00 -1.23 0.00 0.00 177.57 175.99 1wpk n ALA 110 N -1.98 -0.76 -2.31 5.19 0.00 0.10 -5.02 120.51 115.72 1wpk n ALA 110 Ca 0.04 0.24 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 1wpk n ALA 110 Cb 0.49 -3.33 -0.10 0.00 0.00 0.00 0.00 19.45 16.51 1wpk n ALA 110 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wpk s MET 111 N -5.59 1.25 0.89 0.00 -1.94 -0.64 -5.04 119.30 108.23 1wpk s MET 111 Ca 0.30 -1.59 -0.12 0.00 -1.71 0.00 0.00 55.69 52.57 1wpk s MET 111 Cb -0.13 -0.73 0.12 0.00 2.01 0.00 0.00 34.83 36.10 1wpk s MET 111 CO 0.37 0.02 1.09 -1.12 -0.01 0.00 0.00 175.02 175.37 1wpk s SER 112 N -3.27 3.58 0.40 3.03 0.01 -1.26 -4.60 113.70 111.59 1wpk s SER 112 Ca 0.23 1.45 0.28 0.00 1.31 0.00 0.00 55.95 59.22 1wpk s SER 112 Cb 0.03 -2.13 1.45 0.00 0.21 0.00 0.00 66.02 65.58 1wpk s SER 112 CO 0.06 -2.57 1.85 1.55 0.41 0.00 0.00 173.24 174.54 1wpk h PRO 113 N -1.50 0.00 -0.08 12.44 0.13 -1.95 -2.01 132.00 139.02 1wpk h PRO 113 Ca -0.49 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.43 1wpk h PRO 113 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1wpk h PRO 113 CO 0.55 0.00 -0.78 0.74 -0.23 0.00 0.00 178.00 178.28 1wpk h PHE 114 N 0.00 0.69 0.00 1.56 -1.00 -1.99 -2.44 116.94 113.76 1wpk h PHE 114 Ca 0.00 -0.32 -0.00 0.00 2.81 0.00 0.00 57.97 60.46 1wpk h PHE 114 Cb 0.08 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1wpk h PHE 114 CO 0.00 1.11 -0.00 0.45 -1.61 0.00 0.00 178.31 178.26 1wpk h HIS 115 N 0.33 -0.00 -0.40 -0.55 3.86 -1.72 -1.63 115.15 115.05 1wpk h HIS 115 Ca -0.05 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1wpk h HIS 115 Cb 1.38 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.84 1wpk h HIS 115 CO 0.06 0.40 0.25 1.25 0.86 0.00 0.00 177.93 180.75 1wpk h LEU 116 N -0.41 0.47 0.30 2.43 5.85 -1.63 -0.39 115.31 121.93 1wpk h LEU 116 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1wpk h LEU 116 Cb 0.40 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1wpk h LEU 116 CO 0.00 0.36 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.58 1wpk h HIS 117 N 0.53 -0.38 -0.71 1.25 2.76 -1.47 -0.35 115.15 116.79 1wpk h HIS 117 Ca 0.14 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 1wpk h HIS 117 Cb -0.03 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 1wpk h HIS 117 CO -0.04 -0.23 0.47 -0.09 -1.30 0.00 0.00 177.93 176.74 1wpk h ARG 118 N -0.42 0.84 0.07 5.26 9.65 -1.19 0.14 114.38 128.74 1wpk h ARG 118 Ca -0.04 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1wpk h ARG 118 Cb 0.32 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1wpk h ARG 118 CO 0.07 0.56 -0.03 1.25 2.80 0.00 0.00 179.97 184.61 1wpk h LEU 119 N 0.87 -0.08 -0.43 3.80 7.12 -0.74 0.17 115.31 126.02 1wpk h LEU 119 Ca 0.28 -0.30 -0.04 0.00 0.13 0.00 0.00 57.88 57.96 1wpk h LEU 119 Cb 0.05 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.18 1wpk h LEU 119 CO -0.08 0.26 0.13 0.15 -0.13 0.00 0.00 178.44 178.77 1wpk h PHE 120 N -0.43 0.70 -0.28 1.25 3.57 -0.76 0.05 116.94 121.04 1wpk h PHE 120 Ca -0.01 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.32 1wpk h PHE 120 Cb 0.37 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1wpk h PHE 120 CO 0.04 0.64 -0.24 -0.22 -2.23 0.00 0.00 178.31 176.30 1wpk h LYS 121 N 0.55 0.53 0.00 1.11 3.11 -0.75 0.26 116.57 121.37 1wpk h LYS 121 Ca 0.14 -0.20 -0.09 0.00 -2.81 0.00 0.00 60.65 57.69 1wpk h LYS 121 Cb 0.27 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1wpk h LYS 121 CO -0.00 0.73 -0.41 0.00 -2.81 0.00 0.00 179.45 176.95 1wpk h ALA 122 N 1.28 0.86 0.00 5.00 0.00 -0.40 -1.88 119.26 124.12 1wpk h ALA 122 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wpk h ALA 122 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wpk h ALA 122 CO 0.05 0.51 -0.15 2.41 0.00 0.00 0.00 179.25 182.07 1wpk n THR 123 N -3.38 0.35 0.03 0.00 -1.04 -0.02 -4.76 114.28 105.47 1wpk n THR 123 Ca 0.01 0.43 -0.22 0.00 -2.04 0.00 0.00 64.05 62.23 1wpk n THR 123 Cb 0.59 -1.72 -0.14 0.00 -1.82 0.00 0.00 70.33 67.24 1wpk n THR 123 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wpk h THR 124 N -0.25 0.76 -3.15 12.58 1.03 -0.75 -3.49 112.91 119.64 1wpk h THR 124 Ca 0.00 -2.43 -0.11 0.00 -0.01 0.00 0.00 66.41 63.87 1wpk h THR 124 Cb 0.15 2.61 0.05 0.00 -1.07 0.00 0.00 68.15 69.89 1wpk h THR 124 CO 0.00 0.88 -0.24 0.61 -0.01 0.00 0.00 175.52 176.75 1wpk n GLY 125 N 1.93 0.19 3.13 2.99 0.00 -0.30 -4.98 105.19 108.14 1wpk n GLY 125 Ca -0.28 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1wpk n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wpk s MET 126 N -4.45 0.64 0.36 1.61 -1.94 -1.26 -4.99 119.30 109.27 1wpk s MET 126 Ca 0.00 -0.89 0.05 0.00 -1.71 0.00 0.00 55.69 53.14 1wpk s MET 126 Cb -0.00 0.25 -0.01 0.00 2.01 0.00 0.00 34.83 37.08 1wpk s MET 126 CO 0.23 -0.16 0.52 0.95 -0.01 0.00 0.00 175.02 176.55 1wpk s THR 127 N -3.11 4.12 0.38 2.05 -4.23 -1.26 -4.67 115.64 108.92 1wpk s THR 127 Ca -0.01 -0.85 0.05 0.00 -1.18 0.00 0.00 61.69 59.71 1wpk s THR 127 Cb 0.02 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.67 1wpk s THR 127 CO -0.07 -0.22 2.04 1.55 -0.54 0.00 0.00 174.62 177.38 1wpk h PRO 128 N 0.76 0.67 -0.02 3.99 0.13 -2.02 -0.90 132.00 134.61 1wpk h PRO 128 Ca -0.46 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 1wpk h PRO 128 Cb 1.25 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1wpk h PRO 128 CO 0.55 0.44 -0.63 1.57 -0.23 0.00 0.00 178.00 179.70 1wpk h LYS 129 N 0.69 0.08 -0.03 0.86 5.09 -2.00 -2.83 116.57 118.44 1wpk h LYS 129 Ca 0.19 -0.06 -0.26 0.00 0.09 0.00 0.00 60.65 60.62 1wpk h LYS 129 Cb -0.06 0.01 0.02 0.00 0.10 0.00 0.00 32.23 32.30 1wpk h LYS 129 CO -0.04 0.68 -0.99 0.00 -2.09 0.00 0.00 179.45 177.01 1wpk h ALA 130 N 1.31 0.18 -0.64 0.07 0.00 -1.70 -2.02 119.26 116.46 1wpk h ALA 130 Ca -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1wpk h ALA 130 Cb 1.12 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1wpk h ALA 130 CO 0.09 0.70 0.29 2.35 0.00 0.00 0.00 179.25 182.68 1wpk h TRP 131 N 0.41 0.93 -0.24 0.00 7.01 -1.18 0.80 115.95 123.67 1wpk h TRP 131 Ca -0.11 -0.05 -0.15 0.00 2.11 0.00 0.00 58.89 60.68 1wpk h TRP 131 Cb 1.64 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 28.41 1wpk h TRP 131 CO 0.10 0.71 -0.45 1.96 -2.79 0.00 0.00 178.44 177.96 1wpk h GLN 132 N 0.88 0.73 -0.26 2.65 4.20 -1.56 -1.32 115.11 120.44 1wpk h GLN 132 Ca 0.22 -0.47 -0.18 0.00 0.06 0.00 0.00 58.65 58.28 1wpk h GLN 132 Cb 0.14 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wpk h GLN 132 CO -0.03 1.09 -0.55 1.96 -0.67 0.00 0.00 178.83 180.63 1wpk h GLN 133 N 0.46 0.78 -0.48 1.46 4.20 -1.19 -2.57 115.11 117.77 1wpk h GLN 133 Ca 0.01 -0.49 -0.12 0.00 0.06 0.00 0.00 58.65 58.11 1wpk h GLN 133 Cb 1.06 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1wpk h GLN 133 CO 0.10 1.12 -0.16 0.00 -0.67 0.00 0.00 178.83 179.23 1wpk h ALA 134 N 0.78 0.66 -0.53 3.87 0.00 0.60 -1.02 119.26 123.62 1wpk h ALA 134 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1wpk h ALA 134 Cb 1.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1wpk h ALA 134 CO 0.12 0.60 0.20 2.35 0.00 0.00 0.00 179.25 182.52 1wpk h TRP 135 N 0.80 0.82 -0.40 0.00 7.01 -1.23 0.24 115.95 123.20 1wpk h TRP 135 Ca 0.12 -0.07 -0.14 0.00 2.11 0.00 0.00 58.89 60.91 1wpk h TRP 135 Cb 0.72 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 1wpk h TRP 135 CO 0.05 0.68 -0.30 0.00 -2.79 0.00 0.00 178.44 176.09 1wpk h ARG 136 N 0.72 0.87 -0.24 2.65 3.08 -1.39 -1.22 114.38 118.85 1wpk h ARG 136 Ca 0.18 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 1wpk h ARG 136 Cb 0.22 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1wpk h ARG 136 CO -0.01 1.05 -0.28 0.00 -1.07 0.00 0.00 179.97 179.66 1wpk h ALA 137 N 0.92 0.36 -0.06 0.04 0.00 -0.97 -2.86 119.26 116.69 1wpk h ALA 137 Ca 0.08 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1wpk h ALA 137 Cb 0.85 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1wpk h ALA 137 CO 0.08 0.36 -0.33 -0.09 0.00 0.00 0.00 179.25 179.27 1wpk h ARG 138 N 0.32 0.12 -0.22 0.00 2.43 -0.50 0.19 114.38 116.71 1wpk h ARG 138 Ca 0.03 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1wpk h ARG 138 Cb 0.85 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1wpk h ARG 138 CO 0.07 0.44 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.60 1wpk h ARG 139 N 0.11 0.43 0.07 0.20 1.12 -1.14 0.75 114.38 115.92 1wpk h ARG 139 Ca 0.01 -0.17 -0.24 0.00 -1.11 0.00 0.00 59.98 58.47 1wpk h ARG 139 Cb 0.63 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 1wpk h ARG 139 CO 0.05 0.68 -1.27 1.25 -3.11 0.00 0.00 179.97 177.56 1wpk h LEU 140 N 0.38 0.23 -0.19 3.80 6.46 -1.25 -3.23 115.31 121.53 1wpk h LEU 140 Ca 0.05 -0.78 -0.15 0.00 -0.12 0.00 0.00 57.88 56.89 1wpk h LEU 140 Cb 0.69 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1wpk h LEU 140 CO 0.05 1.54 -0.46 0.03 -0.62 0.00 0.00 178.44 178.98 1wpk h ARG 141 N -0.54 0.64 -1.32 1.25 3.08 -0.68 -3.20 114.38 113.61 1wpk h ARG 141 Ca -0.30 -0.44 -0.57 0.00 0.07 0.00 0.00 59.98 58.74 1wpk h ARG 141 Cb 1.57 0.06 -0.24 0.00 0.08 0.00 0.00 29.97 31.45 1wpk h ARG 141 CO -0.02 1.06 0.73 -1.91 -1.07 0.00 0.00 179.97 178.76 1wpk n GLU 142 N -4.20 2.42 -2.70 0.04 2.13 0.26 -4.97 120.64 113.62 1wpk n GLU 142 Ca -0.06 -2.76 -0.41 0.00 0.66 0.00 0.00 57.16 54.59 1wpk n GLU 142 Cb 0.57 -2.08 -0.04 0.00 0.27 0.00 0.00 31.44 30.16 1wpk n GLU 142 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1wpk s SER 143 N -1.03 7.44 -0.42 4.31 1.04 -1.21 -4.33 113.70 119.49 1wpk s SER 143 Ca 0.53 1.78 -0.14 0.00 0.48 0.00 0.00 55.95 58.60 1wpk s SER 143 Cb 0.42 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.97 1wpk s SER 143 CO -0.06 -0.14 0.57 -0.11 0.98 0.00 0.00 173.24 174.48 1wpk n LEU 144 N 3.10 -7.61 -4.90 2.42 7.94 -1.26 -5.01 117.00 111.67 1wpk n LEU 144 Ca 0.04 0.48 -0.28 0.00 -1.11 0.00 0.00 56.01 55.14 1wpk n LEU 144 Cb 0.49 -3.28 0.00 0.00 0.53 0.00 0.00 43.42 41.16 1wpk n LEU 144 CO 0.52 -2.19 0.47 0.00 -1.11 0.00 0.00 177.39 175.07 1wpk s ALA 145 N -2.55 3.38 -2.59 1.96 0.00 -1.26 -5.23 121.76 115.46 1wpk s ALA 145 Ca 0.23 -0.49 0.27 0.00 0.00 0.00 0.00 51.96 51.96 1wpk s ALA 145 Cb -0.06 -2.62 0.89 0.00 0.00 0.00 0.00 23.12 21.33 1wpk s ALA 145 CO 0.73 -0.40 1.65 0.36 0.00 0.00 0.00 175.76 178.10