#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpk n LYS 2 N 0.00 0.00 -2.86 2.12 5.02 -1.26 -5.06 118.16 116.12 1wpk n LYS 2 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1wpk n LYS 2 Cb 0.00 -0.10 -0.04 0.00 -0.02 0.00 0.00 35.03 34.87 1wpk n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wpk s LYS 3 N -2.00 4.30 0.40 1.97 1.02 -1.26 -5.05 119.74 119.13 1wpk s LYS 3 Ca 0.00 1.06 -0.12 0.00 0.02 0.00 0.00 55.97 56.93 1wpk s LYS 3 Cb 0.00 -3.57 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 1wpk s LYS 3 CO 0.00 -0.34 0.79 0.00 -0.92 0.00 0.00 175.35 174.88 1wpk s ALA 4 N 2.19 3.31 -0.26 5.17 0.00 -1.26 -5.01 121.76 125.90 1wpk s ALA 4 Ca 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1wpk s ALA 4 Cb -0.17 -2.77 -0.16 0.00 0.00 0.00 0.00 23.12 20.03 1wpk s ALA 4 CO 0.12 0.05 -0.25 -2.37 0.00 0.00 0.00 175.76 173.32 1wpk n THR 5 N -1.10 1.46 0.06 0.00 5.66 -1.26 -5.03 114.28 114.07 1wpk n THR 5 Ca 0.03 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 1wpk n THR 5 Cb 0.54 -1.48 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 1wpk n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wpk n LEU 7 N -2.99 0.46 -3.79 0.00 7.99 -1.26 -4.72 117.00 112.69 1wpk n LEU 7 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.92 1wpk n LEU 7 Cb 0.00 -1.03 -0.03 0.00 -0.11 0.00 0.00 43.42 42.25 1wpk n LEU 7 CO 0.00 -0.34 0.40 0.28 -1.51 0.00 0.00 177.39 176.22 1wpk s THR 8 N -2.11 0.00 0.25 -5.08 -1.32 -1.26 -5.05 115.64 101.07 1wpk s THR 8 Ca 0.00 -0.87 0.06 0.00 -1.21 0.00 0.00 61.69 59.67 1wpk s THR 8 Cb 0.00 -1.81 -0.03 0.00 -1.51 0.00 0.00 72.50 69.14 1wpk s THR 8 CO 0.00 -0.02 1.58 0.44 -2.21 0.00 0.00 174.62 174.42 1wpk h ASP 9 N 2.06 0.22 -0.16 8.08 5.19 -1.99 -1.67 116.42 128.15 1wpk h ASP 9 Ca -0.23 -0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 55.94 1wpk h ASP 9 Cb 1.26 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1wpk h ASP 9 CO 0.29 0.75 -0.33 -0.78 -3.12 0.00 0.00 179.24 176.05 1wpk h ASP 10 N 0.15 0.56 0.01 6.45 3.58 -1.96 -2.32 116.42 122.89 1wpk h ASP 10 Ca -0.00 -0.56 -0.15 0.00 0.42 0.00 0.00 57.03 56.73 1wpk h ASP 10 Cb 1.07 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 1wpk h ASP 10 CO 0.09 1.02 -0.51 1.56 -2.88 0.00 0.00 179.24 178.51 1wpk h GLN 11 N 0.13 0.55 0.37 0.28 4.20 -1.84 -2.78 115.11 116.02 1wpk h GLN 11 Ca 0.00 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1wpk h GLN 11 Cb 0.93 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1wpk h GLN 11 CO 0.07 0.93 -0.18 -0.09 -0.67 0.00 0.00 178.83 178.90 1wpk h ARG 12 N 0.43 -0.47 -0.27 1.46 2.43 -1.32 -2.26 114.38 114.38 1wpk h ARG 12 Ca 0.02 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1wpk h ARG 12 Cb 1.04 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1wpk h ARG 12 CO 0.10 -0.24 0.26 2.35 -1.51 0.00 0.00 179.97 180.92 1wpk h TRP 13 N -0.62 0.00 0.47 2.20 -0.00 -1.45 -2.11 115.95 114.45 1wpk h TRP 13 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.82 1wpk h TRP 13 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.61 1wpk h TRP 13 CO -0.02 0.00 -0.24 0.37 -0.00 0.00 0.00 178.44 178.55 1wpk h GLN 14 N 0.00 -0.63 -0.43 2.65 4.15 -1.11 -0.12 115.11 119.62 1wpk h GLN 14 Ca 0.13 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.67 1wpk h GLN 14 Cb 0.64 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 1wpk h GLN 14 CO -0.00 -0.42 0.30 0.77 -1.93 0.00 0.00 178.83 177.55 1wpk h SER 15 N -0.65 0.24 -0.25 -0.69 0.02 -1.26 0.37 113.55 111.34 1wpk h SER 15 Ca -0.06 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1wpk h SER 15 Cb 0.51 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1wpk h SER 15 CO 0.10 0.16 -0.28 0.58 -1.14 0.00 0.00 176.83 176.24 1wpk h VAL 16 N 0.28 1.31 -0.07 2.27 2.07 -1.32 -1.51 116.25 119.27 1wpk h VAL 16 Ca 0.20 -1.46 -0.15 0.00 0.82 0.00 0.00 66.70 66.10 1wpk h VAL 16 Cb 0.42 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1wpk h VAL 16 CO -0.04 0.46 -0.62 -0.07 0.02 0.00 0.00 177.57 177.32 1wpk h LEU 17 N 0.35 0.30 -0.99 2.57 3.38 0.05 -2.93 115.31 118.04 1wpk h LEU 17 Ca 0.04 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1wpk h LEU 17 Cb 0.85 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1wpk h LEU 17 CO 0.07 0.84 -0.37 0.00 0.09 0.00 0.00 178.44 179.07 1wpk h ALA 18 N 1.16 1.03 -3.11 1.53 0.00 -0.25 -3.47 119.26 116.15 1wpk h ALA 18 Ca -0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 54.91 54.15 1wpk h ALA 18 Cb 1.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1wpk h ALA 18 CO 0.10 0.46 -0.55 0.54 0.00 0.00 0.00 179.25 179.80 1wpk n ARG 19 N -3.57 -1.92 -1.56 0.00 1.74 -0.58 -4.87 116.66 105.91 1wpk n ARG 19 Ca -0.00 1.01 -0.44 0.00 -0.77 0.00 0.00 57.85 57.65 1wpk n ARG 19 Cb 0.49 -5.70 -0.04 0.00 -1.02 0.00 0.00 32.46 26.20 1wpk n ARG 19 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wpk n ASP 20 N -2.06 2.92 0.12 0.55 2.03 -1.23 -4.81 116.55 114.08 1wpk n ASP 20 Ca -0.24 0.16 0.10 0.00 0.52 0.00 0.00 54.79 55.34 1wpk n ASP 20 Cb 0.69 -1.50 0.48 0.00 -0.72 0.00 0.00 41.12 40.07 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 8.69 0.14 -1.16 -0.67 -0.04 -1.26 -2.19 135.00 138.51 1wpk n PRO 21 Ca 0.33 0.50 -0.24 0.00 -0.04 0.00 0.00 63.50 64.05 1wpk n PRO 21 Cb 0.41 -1.85 0.14 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.14 4.59 -1.77 3.54 4.13 -1.26 -4.46 115.26 117.88 1wpk n ASN 22 Ca 0.01 -3.53 -0.08 0.00 1.68 0.00 0.00 54.58 52.65 1wpk n ASN 22 Cb 0.13 -0.85 0.21 0.00 -1.54 0.00 0.00 39.78 37.72 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wpk n ALA 23 N -0.95 4.31 -1.55 5.41 0.00 -0.93 -4.91 120.51 121.89 1wpk n ALA 23 Ca 0.56 -1.88 -0.19 0.00 0.00 0.00 0.00 53.44 51.93 1wpk n ALA 23 Cb 1.37 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.24 1.43 0.00 0.00 8.00 -1.26 0.79 116.55 125.27 1wpk n ASP 24 Ca 0.35 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1wpk n ASP 24 Cb 1.22 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1wpk n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wpk n GLY 25 N 6.51 0.84 0.00 0.44 0.00 -1.26 -5.07 105.19 106.65 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 -3.64 1.61 4.71 0.24 -4.95 120.64 118.61 1wpk n GLU 26 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 1wpk n GLU 26 Cb 0.00 -0.55 -0.07 0.00 -1.01 0.00 0.00 31.44 29.81 1wpk n GLU 26 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1wpk s PHE 27 N -0.28 -0.43 -0.04 -0.32 -0.71 -1.19 -4.78 117.98 110.24 1wpk s PHE 27 Ca 0.00 0.99 -0.19 0.00 -1.04 0.00 0.00 56.93 56.69 1wpk s PHE 27 Cb 0.00 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 1wpk s PHE 27 CO 0.00 -0.21 0.55 0.14 -1.34 0.00 0.00 175.22 174.36 1wpk s VAL 28 N 0.51 5.01 -0.26 -2.49 -7.23 0.18 -3.96 120.40 112.15 1wpk s VAL 28 Ca 0.00 1.13 -0.19 0.00 -1.81 0.00 0.00 61.98 61.11 1wpk s VAL 28 Cb -0.05 -3.88 -0.02 0.00 0.56 0.00 0.00 36.38 32.99 1wpk s VAL 28 CO -0.10 0.40 0.58 -0.36 -0.31 0.00 0.00 175.10 175.31 1wpk s PHE 29 N -0.01 3.27 -0.06 2.82 0.08 -1.26 -0.58 117.98 122.23 1wpk s PHE 29 Ca 0.29 0.71 -0.22 0.00 0.12 0.00 0.00 56.93 57.83 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 -0.33 0.62 0.00 -0.10 0.00 0.00 175.22 175.57 1wpk s ALA 30 N 2.43 3.40 -0.23 5.36 0.00 -0.78 -4.09 121.76 127.85 1wpk s ALA 30 Ca 0.24 0.03 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 1wpk s ALA 30 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1wpk s ALA 30 CO 0.09 -0.02 0.09 0.08 0.00 0.00 0.00 175.76 176.00 1wpk s VAL 31 N 0.53 4.66 0.02 0.00 1.01 0.37 -0.44 120.40 126.55 1wpk s VAL 31 Ca 0.33 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1wpk s VAL 31 Cb -0.17 -3.16 -0.24 0.00 0.00 0.00 0.00 36.38 32.81 1wpk s VAL 31 CO 0.16 0.36 0.90 -0.09 0.00 0.00 0.00 175.10 176.43 1wpk h ARG 32 N 7.74 0.07 -0.17 2.72 1.12 -1.86 0.82 114.38 124.82 1wpk h ARG 32 Ca -0.37 -0.12 -0.09 0.00 -1.11 0.00 0.00 59.98 58.29 1wpk h ARG 32 Cb 1.18 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.17 1wpk h ARG 32 CO 0.61 0.84 -0.28 1.79 -3.11 0.00 0.00 179.97 179.82 1wpk h THR 33 N 0.02 1.26 0.00 0.20 1.35 -1.90 -3.29 112.91 110.55 1wpk h THR 33 Ca -0.19 -1.24 -0.08 0.00 -0.55 0.00 0.00 66.41 64.35 1wpk h THR 33 Cb 1.94 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 69.79 1wpk h THR 33 CO 0.12 0.38 -1.45 0.35 -0.25 0.00 0.00 175.52 174.67 1wpk n THR 34 N -4.12 0.28 -2.37 6.82 -2.24 -1.25 -5.03 114.28 106.36 1wpk n THR 34 Ca -0.01 -0.26 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1wpk n THR 34 Cb 0.40 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 2.31 0.79 3.19 3.38 0.00 0.28 -4.94 105.19 110.20 1wpk n GLY 35 Ca -0.07 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.73 1.34 0.04 -0.61 -4.36 -0.85 -0.62 121.20 113.40 1wpk s ILE 36 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 1wpk s ILE 36 Cb -0.00 -1.20 0.00 0.00 1.25 0.00 0.00 42.46 42.51 1wpk s ILE 36 CO 0.00 0.04 0.02 2.22 0.24 0.00 0.00 174.94 177.46 1wpk n PHE 37 N 1.75 -0.64 -2.65 1.37 1.16 0.21 0.14 117.46 118.80 1wpk n PHE 37 Ca -0.18 -0.20 -0.21 0.00 -1.87 0.00 0.00 57.45 54.98 1wpk n PHE 37 Cb 0.54 -0.03 0.04 0.00 -1.61 0.00 0.00 39.48 38.41 1wpk n PHE 37 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1wpk s ARG 39 N -2.17 2.56 0.26 3.97 1.81 -1.19 -1.72 118.95 122.47 1wpk s ARG 39 Ca 0.01 -0.76 -0.05 0.00 -1.72 0.00 0.00 55.73 53.21 1wpk s ARG 39 Cb -0.00 -2.49 0.51 0.00 -0.45 0.00 0.00 34.95 32.52 1wpk s ARG 39 CO 0.01 -0.70 1.62 -1.35 -0.68 0.00 0.00 175.30 174.19 1wpk h PRO 40 N 0.07 0.08 0.00 3.54 0.11 -1.81 -3.38 132.00 130.61 1wpk h PRO 40 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wpk h PRO 40 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1wpk h PRO 40 CO 0.52 0.05 0.00 0.43 -0.21 0.00 0.00 178.00 178.80 1wpk n SER 41 N -5.39 0.00 -1.35 -2.05 7.64 -1.26 -3.18 113.62 108.04 1wpk n SER 41 Ca 0.16 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.20 1wpk n SER 41 Cb 0.53 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 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 -4.17 0.00 -2.93 0.00 0.00 -1.26 -4.67 116.66 103.62 1wpk n ARG 43 Ca -0.07 -0.73 -0.41 0.00 -0.00 0.00 0.00 57.85 56.63 1wpk n ARG 43 Cb 0.63 0.48 -0.05 0.00 -0.00 0.00 0.00 32.46 33.52 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wpk s ALA 44 N 0.00 3.61 -0.60 2.89 0.00 -1.26 -4.98 121.76 121.42 1wpk s ALA 44 Ca 0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.56 1wpk s ALA 44 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1wpk s ALA 44 CO 0.00 -0.82 2.04 1.03 0.00 0.00 0.00 175.76 178.01 1wpk s ARG 45 N 2.56 2.44 -0.22 0.00 0.52 -1.26 -4.66 118.95 118.33 1wpk s ARG 45 Ca 0.34 0.78 0.17 0.00 -0.52 0.00 0.00 55.73 56.50 1wpk s ARG 45 Cb -0.16 -4.50 0.40 0.00 0.52 0.00 0.00 34.95 31.22 1wpk s ARG 45 CO 0.09 -2.98 1.25 1.58 0.02 0.00 0.00 175.30 175.26 1wpk n HIS 46 N 13.91 -0.22 0.00 -0.53 -0.00 -1.26 -5.07 115.22 122.06 1wpk n HIS 46 Ca 0.27 -1.55 0.00 0.00 0.46 0.00 0.00 57.72 56.90 1wpk n HIS 46 Cb 0.52 0.49 0.00 0.00 -0.12 0.00 0.00 29.99 30.88 1wpk n HIS 46 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wpk n ALA 47 N -0.69 0.00 -0.46 1.57 0.00 -1.26 -4.89 120.51 114.78 1wpk n ALA 47 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 1wpk n ALA 47 Cb 0.87 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.58 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 0.00 -1.83 0.29 0.00 4.77 -1.26 -4.61 117.00 114.36 1wpk n LEU 48 Ca 0.00 -0.21 0.19 0.00 -0.03 0.00 0.00 56.01 55.95 1wpk n LEU 48 Cb 0.00 -1.24 0.98 0.00 -2.33 0.00 0.00 43.42 40.83 1wpk n LEU 48 CO 0.00 -3.38 1.16 -0.09 -1.33 0.00 0.00 177.39 173.74 1wpk h ARG 49 N -2.77 0.00 0.00 3.23 2.43 -2.02 -1.23 114.38 114.02 1wpk h ARG 49 Ca -0.63 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.27 1wpk h ARG 49 Cb 1.34 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.84 1wpk h ARG 49 CO 0.50 0.00 -2.28 0.39 -1.51 0.00 0.00 179.97 177.07 1wpk n GLU 50 N -3.40 0.68 -1.08 0.20 -0.58 -1.26 -4.34 120.64 110.85 1wpk n GLU 50 Ca -0.01 -0.06 -0.23 0.00 -0.42 0.00 0.00 57.16 56.44 1wpk n GLU 50 Cb 0.20 -1.52 0.12 0.00 -0.57 0.00 0.00 31.44 29.68 1wpk n GLU 50 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wpk n ASN 51 N -2.62 4.86 -3.93 1.62 3.02 -0.52 -4.89 115.26 112.81 1wpk n ASN 51 Ca -0.25 -3.42 -0.16 0.00 -0.03 0.00 0.00 54.58 50.73 1wpk n ASN 51 Cb 1.00 -0.86 -0.15 0.00 -0.61 0.00 0.00 39.78 39.16 1wpk n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wpk s VAL 52 N -3.18 0.33 0.43 2.41 0.11 -0.90 -4.16 120.40 115.45 1wpk s VAL 52 Ca 0.50 -0.16 0.07 0.00 -2.93 0.00 0.00 61.98 59.47 1wpk s VAL 52 Cb 0.41 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.94 1wpk s VAL 52 CO 0.06 0.11 0.37 -0.55 -3.33 0.00 0.00 175.10 171.76 1wpk s SER 53 N 0.05 4.96 -0.06 3.54 0.15 0.41 -4.91 113.70 117.84 1wpk s SER 53 Ca -0.00 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1wpk s SER 53 Cb -0.03 -0.45 0.02 0.00 -1.71 0.00 0.00 66.02 63.84 1wpk s SER 53 CO -0.00 -0.70 -0.04 -0.36 1.20 0.00 0.00 173.24 173.33 1wpk s PHE 54 N -2.52 0.86 -0.01 3.44 0.08 -1.26 -1.86 117.98 116.71 1wpk s PHE 54 Ca 0.47 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.28 1wpk s PHE 54 Cb -0.03 -0.78 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 1wpk s PHE 54 CO 0.27 -0.26 -0.12 0.71 -0.10 0.00 0.00 175.22 175.72 1wpk s TYR 55 N 1.19 1.12 0.17 0.36 1.51 0.25 -4.95 117.35 117.00 1wpk s TYR 55 Ca -0.06 -0.23 -0.13 0.00 -1.01 0.00 0.00 57.07 55.63 1wpk s TYR 55 Cb -0.14 -0.73 0.06 0.00 -0.11 0.00 0.00 41.96 41.04 1wpk s TYR 55 CO -0.02 -0.04 1.77 0.00 -1.11 0.00 0.00 175.55 176.16 1wpk h ALA 56 N 5.92 0.70 -4.63 3.71 0.00 -1.86 0.52 119.26 123.62 1wpk h ALA 56 Ca -0.33 -0.10 -0.42 0.00 0.00 0.00 0.00 54.91 54.05 1wpk h ALA 56 Cb 1.17 -0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 1wpk h ALA 56 CO 0.49 0.23 -0.40 -1.71 0.00 0.00 0.00 179.25 177.86 1wpk n ASN 57 N -4.61 -0.26 0.10 0.00 2.85 -1.26 -4.33 115.26 107.75 1wpk n ASN 57 Ca 0.03 -2.87 -0.22 0.00 -0.11 0.00 0.00 54.58 51.40 1wpk n ASN 57 Cb 0.10 1.33 -0.13 0.00 1.24 0.00 0.00 39.78 42.31 1wpk n ASN 57 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wpk h ALA 58 N 1.85 -0.01 -0.16 5.20 0.00 -1.98 -3.08 119.26 121.07 1wpk h ALA 58 Ca -0.21 -0.78 0.04 0.00 0.00 0.00 0.00 54.91 53.96 1wpk h ALA 58 Cb 1.03 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1wpk h ALA 58 CO 0.32 0.70 0.12 0.66 0.00 0.00 0.00 179.25 181.04 1wpk h SER 59 N 0.27 0.02 0.05 0.00 4.64 -1.97 0.97 113.55 117.52 1wpk h SER 59 Ca -0.19 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1wpk h SER 59 Cb 1.93 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1wpk h SER 59 CO 0.24 0.01 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.86 1wpk h GLU 60 N 0.02 -0.06 -0.13 4.77 4.39 -1.98 -2.52 114.58 119.07 1wpk h GLU 60 Ca 0.08 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 1wpk h GLU 60 Cb 0.28 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1wpk h GLU 60 CO -0.00 0.57 -0.28 0.00 -1.16 0.00 0.00 179.01 178.13 1wpk h ALA 61 N -0.05 0.21 -0.42 3.43 0.00 -1.39 -2.91 119.26 118.11 1wpk h ALA 61 Ca -0.01 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1wpk h ALA 61 Cb 0.66 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1wpk h ALA 61 CO 0.01 0.22 0.21 1.25 0.00 0.00 0.00 179.25 180.94 1wpk h LEU 62 N 0.01 0.29 -1.37 0.00 6.46 0.83 -1.90 115.31 119.64 1wpk h LEU 62 Ca 0.00 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1wpk h LEU 62 Cb 0.88 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 1wpk h LEU 62 CO 0.06 0.21 0.45 0.00 -0.62 0.00 0.00 178.44 178.55 1wpk h ALA 63 N 1.23 1.60 0.00 1.25 0.00 -1.49 -0.14 119.26 121.71 1wpk h ALA 63 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wpk h ALA 63 Cb 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wpk h ALA 63 CO -0.13 0.33 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 1wpk h ALA 64 N 1.60 1.08 0.00 0.00 0.00 -1.14 -3.45 119.26 117.35 1wpk h ALA 64 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1wpk h ALA 64 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wpk h ALA 64 CO -0.07 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1wpk n GLY 65 N -0.98 0.94 3.21 0.00 0.00 -0.08 -5.12 105.19 103.16 1wpk n GLY 65 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.64 1.97 0.06 1.61 0.40 -1.15 -4.94 117.98 114.30 1wpk s PHE 66 Ca 0.00 -0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 55.53 1wpk s PHE 66 Cb 0.00 -1.30 -0.05 0.00 0.51 0.00 0.00 43.02 42.19 1wpk s PHE 66 CO 0.00 -0.13 0.99 0.50 0.70 0.00 0.00 175.22 177.29 1wpk s ARG 67 N -0.23 4.61 0.44 0.44 3.00 0.20 -4.28 118.95 123.14 1wpk s ARG 67 Ca 0.01 1.48 -0.23 0.00 -1.00 0.00 0.00 55.73 55.99 1wpk s ARG 67 Cb -0.11 -3.40 -0.08 0.00 0.00 0.00 0.00 34.95 31.35 1wpk s ARG 67 CO 0.01 0.06 1.08 -1.25 0.00 0.00 0.00 175.30 175.21 1wpk s PRO 68 N 0.48 3.96 -0.18 5.12 0.04 -1.26 0.66 135.00 143.82 1wpk s PRO 68 Ca 0.50 1.56 -0.00 0.00 0.04 0.00 0.00 61.00 63.10 1wpk s PRO 68 Cb -0.23 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1wpk s PRO 68 CO 0.29 -0.33 -0.14 0.00 0.04 0.00 0.00 177.00 176.86 1wpk n LYS 70 N 4.44 1.10 -1.06 0.00 3.00 -1.26 -3.15 118.16 121.23 1wpk n LYS 70 Ca -0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.09 1wpk n LYS 70 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.53 1wpk n LYS 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wpk n ARG 71 N -0.31 -0.88 -2.43 1.64 1.74 -1.26 -4.84 116.66 110.32 1wpk n ARG 71 Ca 0.00 0.37 -0.02 0.00 -0.77 0.00 0.00 57.85 57.42 1wpk n ARG 71 Cb 0.00 -4.12 0.05 0.00 -1.02 0.00 0.00 32.46 27.37 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wpk n GLN 73 N -0.45 -2.48 0.00 0.00 6.02 -1.26 -3.77 117.38 115.44 1wpk n GLN 73 Ca 0.12 2.14 0.00 0.00 -0.01 0.00 0.00 57.00 59.26 1wpk n GLN 73 Cb 0.88 -5.21 0.00 0.00 1.02 0.00 0.00 30.24 26.93 1wpk n GLN 73 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1wpk n PRO 74 N -0.10 0.00 0.00 -1.09 -0.04 -1.26 -4.60 135.00 127.91 1wpk n PRO 74 Ca 0.08 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1wpk n PRO 74 Cb 0.41 -0.82 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1wpk n PRO 74 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1wpk n GLU 75 N -0.57 0.00 -3.99 0.54 2.13 -1.26 -4.86 120.64 112.64 1wpk n GLU 75 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1wpk n GLU 75 Cb 0.00 -0.92 -0.04 0.00 0.27 0.00 0.00 31.44 30.76 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 -1.92 1.75 0.36 5.31 1.02 -1.26 -5.13 119.74 119.87 1wpk s LYS 76 Ca 0.00 -1.40 0.07 0.00 0.02 0.00 0.00 55.97 54.67 1wpk s LYS 76 Cb 0.00 0.49 -0.02 0.00 -0.52 0.00 0.00 37.83 37.78 1wpk s LYS 76 CO 0.00 -0.74 0.35 0.00 -0.92 0.00 0.00 175.35 174.04 1wpk s ALA 77 N -3.53 3.99 -0.06 5.17 0.00 -1.26 -4.97 121.76 121.09 1wpk s ALA 77 Ca 0.23 -1.70 0.05 0.00 0.00 0.00 0.00 51.96 50.53 1wpk s ALA 77 Cb -0.01 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1wpk s ALA 77 CO 0.12 -0.08 -0.20 1.21 0.00 0.00 0.00 175.76 176.81 1wpk s ASN 78 N -4.08 3.52 -0.13 0.00 2.47 -1.26 -5.02 114.94 110.44 1wpk s ASN 78 Ca 0.44 -0.38 -0.00 0.00 0.42 0.00 0.00 52.86 53.34 1wpk s ASN 78 Cb -0.06 -0.91 -0.08 0.00 -1.45 0.00 0.00 41.25 38.75 1wpk s ASN 78 CO 0.28 0.27 -0.13 0.00 -3.72 0.00 0.00 177.10 173.80 1wpk n ALA 79 N 2.78 1.78 -3.15 1.71 0.00 -1.26 -5.01 120.51 117.36 1wpk n ALA 79 Ca -0.17 -0.57 0.05 0.00 0.00 0.00 0.00 53.44 52.75 1wpk n ALA 79 Cb 0.52 0.22 -0.01 0.00 0.00 0.00 0.00 19.45 20.18 1wpk n ALA 79 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wpk s GLN 80 N -2.26 0.37 -0.16 0.00 -2.07 -1.26 -5.14 119.66 109.14 1wpk s GLN 80 Ca -0.18 0.53 -0.04 0.00 -1.82 0.00 0.00 55.36 53.84 1wpk s GLN 80 Cb 0.05 0.28 0.06 0.00 -1.09 0.00 0.00 33.01 32.31 1wpk s GLN 80 CO 0.30 -0.54 0.11 -1.14 -1.32 0.00 0.00 175.29 172.70 1wpk s GLN 81 N 2.90 0.06 -0.24 9.60 -0.44 -1.26 -5.00 119.66 125.27 1wpk s GLN 81 Ca 0.14 0.05 -0.34 0.00 -2.50 0.00 0.00 55.36 52.71 1wpk s GLN 81 Cb -0.10 -1.50 0.16 0.00 -1.64 0.00 0.00 33.01 29.93 1wpk s GLN 81 CO -0.20 -0.61 1.29 -1.58 0.50 0.00 0.00 175.29 174.69 1wpk s HIS 82 N 2.18 -0.09 -0.01 1.67 2.46 -1.26 -4.98 115.29 115.26 1wpk s HIS 82 Ca 0.03 0.10 -0.24 0.00 0.47 0.00 0.00 55.06 55.42 1wpk s HIS 82 Cb -0.15 0.50 -0.19 0.00 -0.13 0.00 0.00 32.58 32.61 1wpk s HIS 82 CO -0.09 -0.11 1.24 0.00 -2.47 0.00 0.00 174.74 173.31 1wpk h ARG 83 N 2.06 0.15 0.00 2.88 3.08 -2.00 -2.18 114.38 118.37 1wpk h ARG 83 Ca -0.08 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.69 1wpk h ARG 83 Cb 1.16 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1wpk h ARG 83 CO 0.22 0.66 -0.90 1.25 -1.07 0.00 0.00 179.97 180.13 1wpk h LEU 84 N -0.34 0.03 -1.00 3.04 6.46 -1.97 -3.10 115.31 118.43 1wpk h LEU 84 Ca 0.00 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.64 1wpk h LEU 84 Cb 0.65 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1wpk h LEU 84 CO 0.02 0.91 -0.38 -0.78 -0.62 0.00 0.00 178.44 177.59 1wpk h ASP 85 N 0.01 0.24 0.26 1.25 1.82 -1.94 -1.32 116.42 116.73 1wpk h ASP 85 Ca -0.01 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 1wpk h ASP 85 Cb 1.58 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.53 1wpk h ASP 85 CO 0.12 0.60 -0.12 0.11 -1.61 0.00 0.00 179.24 178.34 1wpk h LYS 86 N 0.19 -0.33 -0.98 0.28 1.57 -1.40 -2.21 116.57 113.69 1wpk h LYS 86 Ca 0.02 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1wpk h LYS 86 Cb 0.77 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 1wpk h LYS 86 CO 0.06 -0.02 0.64 -0.84 -0.57 0.00 0.00 179.45 178.72 1wpk h ILE 87 N -0.97 1.16 -0.79 1.86 -0.00 -1.58 0.52 117.51 117.70 1wpk h ILE 87 Ca -0.04 -0.42 -0.04 0.00 -0.00 0.00 0.00 64.86 64.36 1wpk h ILE 87 Cb 0.47 -0.18 -0.04 0.00 -0.00 0.00 0.00 36.82 37.08 1wpk h ILE 87 CO 0.06 0.22 0.33 0.00 -0.00 0.00 0.00 178.15 178.76 1wpk h THR 88 N 1.23 1.26 -0.02 0.16 1.03 -1.32 0.11 112.91 115.36 1wpk h THR 88 Ca 0.39 -0.80 -0.11 0.00 -0.01 0.00 0.00 66.41 65.89 1wpk h THR 88 Cb 0.02 0.30 -0.01 0.00 -1.07 0.00 0.00 68.15 67.38 1wpk h THR 88 CO -0.13 0.33 -0.49 -0.74 -0.01 0.00 0.00 175.52 174.48 1wpk h HIS 89 N 1.15 0.05 -0.05 0.00 2.76 -0.65 -2.35 115.15 116.06 1wpk h HIS 89 Ca 0.27 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1wpk h HIS 89 Cb 0.20 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1wpk h HIS 89 CO 0.02 0.53 -0.27 0.00 -1.30 0.00 0.00 177.93 176.91 1wpk h ALA 90 N 1.47 0.10 -0.56 5.26 0.00 -0.13 -1.34 119.26 124.05 1wpk h ALA 90 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1wpk h ALA 90 Cb 0.88 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1wpk h ALA 90 CO 0.07 0.12 0.21 0.00 0.00 0.00 0.00 179.25 179.64 1wpk h ARG 92 N 0.81 0.00 -0.87 0.00 3.08 -1.46 -3.21 114.38 112.73 1wpk h ARG 92 Ca 0.19 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.27 1wpk h ARG 92 Cb 0.19 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1wpk h ARG 92 CO -0.01 0.69 0.56 1.25 -1.07 0.00 0.00 179.97 181.39 1wpk h LEU 93 N 0.00 0.95 0.78 3.04 5.85 -0.53 -3.10 115.31 122.31 1wpk h LEU 93 Ca -0.01 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1wpk h LEU 93 Cb 1.30 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 42.11 1wpk h LEU 93 CO 0.09 0.66 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.39 1wpk h LEU 94 N 1.11 -0.96 2.57 2.25 3.38 -1.53 -3.46 115.31 118.68 1wpk h LEU 94 Ca 0.34 0.04 -0.40 0.00 0.09 0.00 0.00 57.88 57.95 1wpk h LEU 94 Cb -0.04 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1wpk h LEU 94 CO -0.10 -0.66 -0.53 -0.62 0.09 0.00 0.00 178.44 176.63 1wpk n GLU 95 N -4.97 -2.33 -4.38 1.13 1.02 -1.17 -4.97 120.64 104.97 1wpk n GLU 95 Ca -0.13 0.95 -0.19 0.00 -0.02 0.00 0.00 57.16 57.76 1wpk n GLU 95 Cb 0.43 -5.64 -0.10 0.00 -0.02 0.00 0.00 31.44 26.10 1wpk n GLU 95 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1wpk s GLN 96 N -5.18 1.53 -0.11 3.49 0.74 -1.26 -5.07 119.66 113.80 1wpk s GLN 96 Ca 0.06 -1.84 0.07 0.00 0.05 0.00 0.00 55.36 53.70 1wpk s GLN 96 Cb -0.03 -0.53 -0.12 0.00 1.10 0.00 0.00 33.01 33.44 1wpk s GLN 96 CO 0.07 -0.25 -0.01 0.39 -0.55 0.00 0.00 175.29 174.94 1wpk n GLU 97 N -0.57 1.77 -1.74 1.67 1.02 -1.26 -5.02 120.64 116.51 1wpk n GLU 97 Ca -0.01 0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 56.77 1wpk n GLU 97 Cb 0.66 -1.26 0.05 0.00 -0.02 0.00 0.00 31.44 30.87 1wpk n GLU 97 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1wpk n THR 98 N -2.52 4.18 -1.90 2.62 -1.04 -1.26 -4.87 114.28 109.49 1wpk n THR 98 Ca -0.19 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 60.92 1wpk n THR 98 Cb 0.81 -1.63 -0.03 0.00 -1.82 0.00 0.00 70.33 67.66 1wpk n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1wpk s PRO 99 N -3.03 2.87 0.67 -2.82 0.04 -1.26 -4.98 135.00 126.49 1wpk s PRO 99 Ca 0.75 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 1wpk s PRO 99 Cb -0.41 -4.34 -0.01 0.00 0.04 0.00 0.00 34.50 29.78 1wpk s PRO 99 CO 0.47 -2.42 1.06 0.14 0.04 0.00 0.00 177.00 176.29 1wpk s VAL 100 N 8.66 4.04 0.56 -0.36 -7.23 -1.26 -5.03 120.40 119.78 1wpk s VAL 100 Ca 0.81 0.66 -0.19 0.00 -1.81 0.00 0.00 61.98 61.45 1wpk s VAL 100 Cb -0.19 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.08 1wpk s VAL 100 CO 0.28 -0.87 1.12 -0.89 -0.31 0.00 0.00 175.10 174.44 1wpk s THR 101 N -3.24 3.22 -0.05 5.32 2.01 -1.26 -4.98 115.64 116.66 1wpk s THR 101 Ca 0.57 0.72 -0.24 0.00 0.31 0.00 0.00 61.69 63.05 1wpk s THR 101 Cb -0.11 -3.27 -0.18 0.00 0.01 0.00 0.00 72.50 68.94 1wpk s THR 101 CO 0.53 -0.20 1.01 0.25 -0.69 0.00 0.00 174.62 175.53 1wpk h LEU 102 N 1.01 -0.11 -1.88 4.42 6.46 -2.01 -3.22 115.31 119.97 1wpk h LEU 102 Ca -0.49 -0.45 -0.02 0.00 -0.12 0.00 0.00 57.88 56.79 1wpk h LEU 102 Cb 1.26 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1wpk h LEU 102 CO 0.57 0.45 -0.12 1.05 -0.62 0.00 0.00 178.44 179.77 1wpk h GLU 103 N -0.74 0.00 -0.38 1.25 4.11 -1.98 -2.56 114.58 114.28 1wpk h GLU 103 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.47 1wpk h GLU 103 Cb 0.56 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1wpk h GLU 103 CO 0.02 0.12 0.09 0.00 0.07 0.00 0.00 179.01 179.31 1wpk h ALA 104 N 1.88 0.41 -0.12 1.06 0.00 -1.95 0.70 119.26 121.25 1wpk h ALA 104 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1wpk h ALA 104 Cb 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wpk h ALA 104 CO 0.01 -0.31 -0.11 1.25 0.00 0.00 0.00 179.25 180.09 1wpk h LEU 105 N 0.22 0.17 -1.00 0.00 7.12 -1.51 -0.73 115.31 119.58 1wpk h LEU 105 Ca 0.18 -0.03 -0.10 0.00 0.13 0.00 0.00 57.88 58.06 1wpk h LEU 105 Cb 0.20 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 1wpk h LEU 105 CO -0.22 0.30 -0.46 0.00 -0.13 0.00 0.00 178.44 177.92 1wpk h ALA 106 N 1.72 1.11 -0.53 1.25 0.00 -0.47 -2.50 119.26 119.84 1wpk h ALA 106 Ca 0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1wpk h ALA 106 Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wpk h ALA 106 CO 0.02 0.58 -0.04 0.22 0.00 0.00 0.00 179.25 180.03 1wpk h ASP 107 N 0.00 0.91 0.35 0.00 3.58 0.18 0.51 116.42 121.94 1wpk h ASP 107 Ca -0.00 -0.26 -0.25 0.00 0.42 0.00 0.00 57.03 56.94 1wpk h ASP 107 Cb 0.89 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.70 1wpk h ASP 107 CO 0.06 0.99 -1.05 1.56 -2.88 0.00 0.00 179.24 177.92 1wpk h GLN 108 N 0.85 0.43 0.00 0.28 4.20 -1.37 -3.24 115.11 116.26 1wpk h GLN 108 Ca 0.15 -0.52 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 1wpk h GLN 108 Cb 0.55 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1wpk h GLN 108 CO 0.03 1.18 -0.34 0.28 -0.67 0.00 0.00 178.83 179.31 1wpk h VAL 109 N 0.22 0.27 -4.28 -0.54 2.07 -1.35 -3.48 116.25 109.15 1wpk h VAL 109 Ca -0.11 -1.39 -0.26 0.00 0.82 0.00 0.00 66.70 65.76 1wpk h VAL 109 Cb 1.71 2.06 0.10 0.00 -1.52 0.00 0.00 31.29 33.63 1wpk h VAL 109 CO 0.18 0.15 -0.47 0.00 0.02 0.00 0.00 177.57 177.46 1wpk n ALA 110 N -2.16 -0.95 -2.55 1.67 0.00 0.17 -5.03 120.51 111.66 1wpk n ALA 110 Ca 0.02 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 1wpk n ALA 110 Cb 0.61 -3.56 -0.09 0.00 0.00 0.00 0.00 19.45 16.41 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 -5.73 0.64 1.03 0.00 -1.94 -1.01 -5.06 119.30 107.23 1wpk s MET 111 Ca 0.33 -0.90 -0.12 0.00 -1.71 0.00 0.00 55.69 53.30 1wpk s MET 111 Cb -0.15 0.25 0.21 0.00 2.01 0.00 0.00 34.83 37.15 1wpk s MET 111 CO 0.49 -0.16 1.08 -1.12 -0.01 0.00 0.00 175.02 175.30 1wpk s SER 112 N -2.45 2.06 0.21 3.03 0.01 -1.26 -4.65 113.70 110.66 1wpk s SER 112 Ca -0.00 1.76 0.18 0.00 1.31 0.00 0.00 55.95 59.20 1wpk s SER 112 Cb 0.02 -2.38 0.87 0.00 0.21 0.00 0.00 66.02 64.74 1wpk s SER 112 CO -0.07 -3.57 1.56 -0.81 0.41 0.00 0.00 173.24 170.76 1wpk n PRO 113 N -4.51 0.12 -0.03 12.44 -0.04 -1.26 -2.59 135.00 139.14 1wpk n PRO 113 Ca 0.07 0.49 -0.15 0.00 -0.04 0.00 0.00 63.50 63.87 1wpk n PRO 113 Cb 0.54 -1.81 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 1wpk n PRO 113 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wpk h PHE 114 N 0.00 0.44 -0.35 0.54 -1.00 -1.99 -2.51 116.94 112.06 1wpk h PHE 114 Ca 0.00 -0.20 -0.04 0.00 2.81 0.00 0.00 57.97 60.53 1wpk h PHE 114 Cb 0.16 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1wpk h PHE 114 CO 0.00 0.96 0.05 0.45 -1.61 0.00 0.00 178.31 178.16 1wpk h HIS 115 N -0.21 0.63 0.03 -0.55 3.86 -1.85 -1.34 115.15 115.73 1wpk h HIS 115 Ca -0.03 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1wpk h HIS 115 Cb 1.02 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.32 1wpk h HIS 115 CO 0.14 0.65 -0.02 1.25 0.86 0.00 0.00 177.93 180.81 1wpk h LEU 116 N 0.42 -0.04 0.32 2.43 5.85 -1.64 0.35 115.31 123.01 1wpk h LEU 116 Ca 0.11 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1wpk h LEU 116 Cb 0.37 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1wpk h LEU 116 CO 0.01 -0.00 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.21 1wpk h HIS 117 N -0.08 -0.40 -0.38 1.25 2.76 -1.43 0.31 115.15 117.18 1wpk h HIS 117 Ca -0.00 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1wpk h HIS 117 Cb 0.06 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 1wpk h HIS 117 CO -0.07 -0.23 0.16 -0.09 -1.30 0.00 0.00 177.93 176.41 1wpk h ARG 118 N -0.47 0.32 -0.73 5.26 2.43 -1.21 0.53 114.38 120.53 1wpk h ARG 118 Ca -0.04 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1wpk h ARG 118 Cb 0.35 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1wpk h ARG 118 CO 0.07 0.21 0.30 1.25 -1.51 0.00 0.00 179.97 180.29 1wpk h LEU 119 N 0.33 0.98 -0.32 3.80 5.85 -0.83 0.53 115.31 125.66 1wpk h LEU 119 Ca 0.17 -0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.55 1wpk h LEU 119 Cb 0.12 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1wpk h LEU 119 CO -0.15 0.87 -0.82 -0.26 -0.34 0.00 0.00 178.44 177.74 1wpk h PHE 120 N 1.05 0.47 0.01 1.25 -1.00 -0.35 -2.58 116.94 115.79 1wpk h PHE 120 Ca 0.24 -0.23 -0.21 0.00 2.81 0.00 0.00 57.97 60.58 1wpk h PHE 120 Cb 0.19 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 1wpk h PHE 120 CO 0.02 1.02 -1.00 0.87 -1.61 0.00 0.00 178.31 177.60 1wpk h LYS 121 N 0.20 0.04 0.00 1.51 1.57 0.37 1.08 116.57 121.34 1wpk h LYS 121 Ca -0.05 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1wpk h LYS 121 Cb 1.43 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 1wpk h LYS 121 CO 0.14 1.00 -0.54 0.00 -0.57 0.00 0.00 179.45 179.48 1wpk h ALA 122 N 0.98 0.86 0.00 3.86 0.00 0.05 -2.42 119.26 122.58 1wpk h ALA 122 Ca -0.02 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 1wpk h ALA 122 Cb 1.74 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1wpk h ALA 122 CO 0.14 0.67 -1.44 2.41 0.00 0.00 0.00 179.25 181.03 1wpk n THR 123 N -3.53 1.11 -0.00 0.00 -1.04 -0.98 -4.80 114.28 105.04 1wpk n THR 123 Ca -0.00 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.75 1wpk n THR 123 Cb 0.63 -1.85 -0.14 0.00 -1.82 0.00 0.00 70.33 67.15 1wpk n THR 123 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1wpk h THR 124 N -0.61 1.21 0.00 12.58 2.02 0.54 -3.48 112.91 125.17 1wpk h THR 124 Ca -0.27 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.51 1wpk h THR 124 Cb 1.09 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.34 1wpk h THR 124 CO -0.16 0.65 0.00 0.61 0.37 0.00 0.00 175.52 176.99 1wpk n GLY 125 N 1.68 1.91 3.70 2.16 0.00 0.30 -4.92 105.19 110.01 1wpk n GLY 125 Ca -0.22 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1wpk n GLY 125 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wpk s MET 126 N 0.00 4.39 0.87 1.61 0.23 -1.26 -4.61 119.30 120.52 1wpk s MET 126 Ca 0.00 1.72 -0.10 0.00 -1.03 0.00 0.00 55.69 56.27 1wpk s MET 126 Cb 0.00 -3.48 0.12 0.00 -1.53 0.00 0.00 34.83 29.94 1wpk s MET 126 CO 0.00 -0.37 1.12 0.95 -2.03 0.00 0.00 175.02 174.69 1wpk s THR 127 N 1.74 2.60 0.47 3.16 -4.23 -1.26 -4.80 115.64 113.32 1wpk s THR 127 Ca 0.57 0.19 0.23 0.00 -1.18 0.00 0.00 61.69 61.50 1wpk s THR 127 Cb -0.27 -2.43 0.41 0.00 1.34 0.00 0.00 72.50 71.56 1wpk s THR 127 CO 0.25 -0.25 1.88 -0.65 -0.54 0.00 0.00 174.62 175.30 1wpk h PRO 128 N -1.59 0.24 -0.12 3.99 0.11 -1.99 0.20 132.00 132.84 1wpk h PRO 128 Ca -0.44 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 1wpk h PRO 128 Cb 1.26 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1wpk h PRO 128 CO 0.47 0.16 -0.32 -0.22 -0.21 0.00 0.00 178.00 177.88 1wpk h LYS 129 N 0.24 0.22 -0.09 1.05 3.64 -1.99 -2.73 116.57 116.91 1wpk h LYS 129 Ca 0.44 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1wpk h LYS 129 Cb 1.33 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1wpk h LYS 129 CO -0.11 0.52 -0.54 0.00 -2.27 0.00 0.00 179.45 177.05 1wpk h ALA 130 N 1.48 0.91 -0.34 5.00 0.00 -0.92 -2.94 119.26 122.45 1wpk h ALA 130 Ca 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1wpk h ALA 130 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wpk h ALA 130 CO 0.05 0.69 0.05 -1.49 0.00 0.00 0.00 179.25 178.54 1wpk h TRP 131 N 0.20 0.61 -0.61 0.00 -0.00 -1.25 -0.08 115.95 114.82 1wpk h TRP 131 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 58.89 58.81 1wpk h TRP 131 Cb 1.02 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.16 29.98 1wpk h TRP 131 CO 0.02 0.64 0.39 1.96 -0.00 0.00 0.00 178.44 181.45 1wpk h GLN 132 N 0.40 0.82 -0.02 0.49 7.50 -1.50 -2.15 115.11 120.65 1wpk h GLN 132 Ca 0.10 -0.06 -0.11 0.00 0.50 0.00 0.00 58.65 59.08 1wpk h GLN 132 Cb 0.37 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 1wpk h GLN 132 CO 0.01 0.56 -0.51 0.37 -1.50 0.00 0.00 178.83 177.76 1wpk h GLN 133 N 0.83 0.05 -0.17 1.46 5.75 -1.41 -2.22 115.11 119.40 1wpk h GLN 133 Ca 0.22 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1wpk h GLN 133 Cb -0.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1wpk h GLN 133 CO -0.05 0.55 0.09 0.00 -2.65 0.00 0.00 178.83 176.78 1wpk h ALA 134 N 1.45 0.22 -0.08 3.38 0.00 -0.38 0.32 119.26 124.16 1wpk h ALA 134 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1wpk h ALA 134 Cb 0.92 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1wpk h ALA 134 CO 0.07 -0.24 -0.09 -1.49 0.00 0.00 0.00 179.25 177.49 1wpk h TRP 135 N 0.17 0.26 -0.93 0.00 6.55 -1.41 -0.96 115.95 119.63 1wpk h TRP 135 Ca 0.06 -0.08 0.01 0.00 0.95 0.00 0.00 58.89 59.83 1wpk h TRP 135 Cb 0.08 -0.05 -0.05 0.00 -0.86 0.00 0.00 29.16 28.28 1wpk h TRP 135 CO -0.04 0.66 0.61 0.00 -1.05 0.00 0.00 178.44 178.62 1wpk h ARG 136 N -0.22 1.22 0.05 0.49 3.08 -1.36 0.49 114.38 118.14 1wpk h ARG 136 Ca 0.01 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1wpk h ARG 136 Cb 0.62 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1wpk h ARG 136 CO 0.02 0.82 -0.02 0.00 -1.07 0.00 0.00 179.97 179.72 1wpk h ALA 137 N 1.34 -0.06 0.00 0.04 0.00 -0.36 -2.65 119.26 117.56 1wpk h ALA 137 Ca 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1wpk h ALA 137 Cb -0.14 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wpk h ALA 137 CO -0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 179.25 178.82 1wpk h ARG 138 N -0.49 0.00 0.00 0.00 3.08 -1.01 0.85 114.38 116.82 1wpk h ARG 138 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1wpk h ARG 138 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1wpk h ARG 138 CO 0.01 0.03 -0.55 -0.09 -1.07 0.00 0.00 179.97 178.30 1wpk h ARG 139 N 0.00 0.00 0.00 0.04 9.65 -0.80 0.81 114.38 124.09 1wpk h ARG 139 Ca -0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.53 1wpk h ARG 139 Cb 0.05 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.57 1wpk h ARG 139 CO 0.00 0.55 -2.18 -0.11 2.80 0.00 0.00 179.97 181.04 1wpk n LEU 140 N -3.69 0.48 -0.06 3.80 0.00 -0.44 -2.45 117.00 114.63 1wpk n LEU 140 Ca -0.01 0.13 -0.14 0.00 0.00 0.00 0.00 56.01 55.99 1wpk n LEU 140 Cb 0.59 0.29 -0.12 0.00 0.00 0.00 0.00 43.42 44.18 1wpk n LEU 140 CO 0.41 0.50 0.42 -0.09 0.00 0.00 0.00 177.39 178.62 1wpk h ARG 141 N 0.00 -0.00 0.00 1.96 1.12 0.63 -3.41 114.38 114.68 1wpk h ARG 141 Ca -0.47 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.23 1wpk h ARG 141 Cb 2.16 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 32.08 1wpk h ARG 141 CO 0.04 0.89 -1.66 0.39 -3.11 0.00 0.00 179.97 176.52 1wpk n GLU 142 N -4.66 1.18 -2.37 0.20 1.02 -0.11 -5.06 120.64 110.85 1wpk n GLU 142 Ca -0.10 0.04 -0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1wpk n GLU 142 Cb 0.43 -1.24 -0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1wpk n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wpk n SER 143 N -2.64 -9.31 -2.26 1.62 2.88 0.26 -4.88 113.62 99.29 1wpk n SER 143 Ca -0.19 1.87 -0.01 0.00 -1.33 0.00 0.00 58.87 59.21 1wpk n SER 143 Cb 0.75 -5.25 -0.01 0.00 -0.75 0.00 0.00 64.21 58.96 1wpk n SER 143 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wpk n LEU 144 N 1.86 -5.99 -4.67 2.46 4.77 -1.26 -5.00 117.00 109.17 1wpk n LEU 144 Ca -0.01 2.40 -0.29 0.00 -0.03 0.00 0.00 56.01 58.07 1wpk n LEU 144 Cb 0.02 -3.00 -0.08 0.00 -2.33 0.00 0.00 43.42 38.04 1wpk n LEU 144 CO 0.01 -2.83 -0.34 0.00 -1.33 0.00 0.00 177.39 172.90 1wpk s ALA 145 N -0.54 3.25 -0.81 -1.18 0.00 -1.26 -5.11 121.76 116.11 1wpk s ALA 145 Ca -0.06 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.78 1wpk s ALA 145 Cb 0.00 -1.13 0.05 0.00 0.00 0.00 0.00 23.12 22.05 1wpk s ALA 145 CO 0.18 0.65 0.70 1.63 0.00 0.00 0.00 175.76 178.92