#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 -4.61 -1.87 0.03 4.81 -1.26 -4.76 118.16 110.50 1wpk n LYS 2 Ca 0.00 3.47 -0.37 0.00 -0.87 0.00 0.00 58.31 60.54 1wpk n LYS 2 Cb 0.00 -5.14 -0.03 0.00 0.02 0.00 0.00 35.03 29.88 1wpk n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1wpk s LYS 3 N -0.73 2.43 0.41 1.64 1.02 -1.26 -4.95 119.74 118.30 1wpk s LYS 3 Ca -0.28 0.85 0.08 0.00 0.02 0.00 0.00 55.97 56.63 1wpk s LYS 3 Cb 0.02 -4.48 -0.02 0.00 -0.52 0.00 0.00 37.83 32.83 1wpk s LYS 3 CO 0.81 -2.96 0.37 0.00 -0.92 0.00 0.00 175.35 172.65 1wpk s ALA 4 N 10.23 4.05 1.24 5.17 0.00 -1.26 -4.33 121.76 136.86 1wpk s ALA 4 Ca 0.78 -1.88 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 1wpk s ALA 4 Cb -0.14 -1.02 0.29 0.00 0.00 0.00 0.00 23.12 22.25 1wpk s ALA 4 CO 0.22 -0.21 1.05 0.25 0.00 0.00 0.00 175.76 177.07 1wpk n THR 5 N -1.54 0.00 -0.68 0.00 -2.24 -1.26 -4.79 114.28 103.77 1wpk n THR 5 Ca 0.03 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 1wpk n THR 5 Cb 0.62 -1.23 0.08 0.00 -2.10 0.00 0.00 70.33 67.69 1wpk n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wpk n LEU 7 N 0.00 0.35 -3.88 0.00 7.99 -1.26 -4.94 117.00 115.26 1wpk n LEU 7 Ca 0.05 0.15 -0.08 0.00 -0.01 0.00 0.00 56.01 56.12 1wpk n LEU 7 Cb 0.18 -0.32 -0.02 0.00 -0.11 0.00 0.00 43.42 43.15 1wpk n LEU 7 CO 0.12 0.08 0.43 0.28 -1.51 0.00 0.00 177.39 176.79 1wpk s THR 8 N -2.94 0.00 0.22 -5.08 -1.32 -1.26 -5.03 115.64 100.23 1wpk s THR 8 Ca 0.14 -1.08 -0.01 0.00 -1.21 0.00 0.00 61.69 59.53 1wpk s THR 8 Cb 0.18 -2.21 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 1wpk s THR 8 CO 0.62 0.00 1.57 -2.24 -2.21 0.00 0.00 174.62 172.36 1wpk h ASP 9 N 2.04 0.55 -0.23 8.08 2.03 -1.99 -2.45 116.42 124.45 1wpk h ASP 9 Ca -0.23 -0.26 -0.16 0.00 -0.73 0.00 0.00 57.03 55.65 1wpk h ASP 9 Cb 1.25 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1wpk h ASP 9 CO 0.29 0.93 -0.49 -0.78 -1.03 0.00 0.00 179.24 178.16 1wpk h ASP 10 N 0.41 0.82 -0.56 4.15 1.82 -1.98 -1.19 116.42 119.89 1wpk h ASP 10 Ca 0.02 -0.55 -0.05 0.00 -0.39 0.00 0.00 57.03 56.06 1wpk h ASP 10 Cb 0.97 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.72 1wpk h ASP 10 CO 0.09 1.22 0.17 -0.61 -1.61 0.00 0.00 179.24 178.50 1wpk h GLN 11 N 0.46 0.92 -0.03 0.28 5.75 -1.95 -2.70 115.11 117.84 1wpk h GLN 11 Ca 0.00 -0.19 -0.11 0.00 -0.15 0.00 0.00 58.65 58.21 1wpk h GLN 11 Cb 1.10 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 29.51 1wpk h GLN 11 CO 0.11 0.81 -0.39 0.07 -2.65 0.00 0.00 178.83 176.77 1wpk h ARG 12 N 0.89 0.32 -0.37 1.69 0.11 -1.42 -3.15 114.38 112.45 1wpk h ARG 12 Ca 0.20 -0.30 0.11 0.00 0.10 0.00 0.00 59.98 60.08 1wpk h ARG 12 Cb 0.29 0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1wpk h ARG 12 CO -0.00 0.98 0.41 2.35 0.10 0.00 0.00 179.97 183.80 1wpk h TRP 13 N -0.23 0.00 0.49 4.08 -0.00 -1.12 -1.61 115.95 117.57 1wpk h TRP 13 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.83 1wpk h TRP 13 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.26 1wpk h TRP 13 CO 0.15 0.00 -0.23 1.96 -0.00 0.00 0.00 178.44 180.31 1wpk h GLN 14 N 0.00 -0.63 -0.31 2.65 1.08 -1.43 0.10 115.11 116.57 1wpk h GLN 14 Ca 0.17 0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.45 1wpk h GLN 14 Cb 0.99 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.55 1wpk h GLN 14 CO -0.00 -0.41 0.21 0.77 -0.95 0.00 0.00 178.83 178.44 1wpk h SER 15 N -0.67 0.24 -0.11 1.46 0.02 -1.42 0.69 113.55 113.75 1wpk h SER 15 Ca -0.07 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1wpk h SER 15 Cb 0.51 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1wpk h SER 15 CO 0.11 0.16 -0.07 0.58 -1.14 0.00 0.00 176.83 176.48 1wpk h VAL 16 N 0.28 1.33 -0.08 2.27 2.07 -1.25 -1.43 116.25 119.44 1wpk h VAL 16 Ca 0.13 -1.13 -0.15 0.00 0.82 0.00 0.00 66.70 66.37 1wpk h VAL 16 Cb 0.17 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1wpk h VAL 16 CO -0.03 0.32 -0.62 -0.07 0.02 0.00 0.00 177.57 177.20 1wpk h LEU 17 N -0.12 0.32 -1.17 2.57 3.38 -0.09 -2.98 115.31 117.22 1wpk h LEU 17 Ca 0.02 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1wpk h LEU 17 Cb 0.54 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1wpk h LEU 17 CO 0.02 0.85 -0.25 0.00 0.09 0.00 0.00 178.44 179.15 1wpk h ALA 18 N 1.15 1.30 -4.36 1.53 0.00 0.42 -3.47 119.26 115.83 1wpk h ALA 18 Ca -0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.29 1wpk h ALA 18 Cb 1.13 -0.09 0.09 0.00 0.00 0.00 0.00 17.79 18.92 1wpk h ALA 18 CO 0.10 0.47 -0.51 0.54 0.00 0.00 0.00 179.25 179.85 1wpk n ARG 19 N -4.16 -5.39 -2.02 0.00 1.74 -0.54 -4.92 116.66 101.37 1wpk n ARG 19 Ca -0.01 0.67 -0.43 0.00 -0.77 0.00 0.00 57.85 57.31 1wpk n ARG 19 Cb 0.37 -5.15 -0.03 0.00 -1.02 0.00 0.00 32.46 26.63 1wpk n ARG 19 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wpk s ASP 20 N -3.08 6.05 0.20 0.55 2.15 -1.23 -4.85 116.67 116.45 1wpk s ASP 20 Ca 0.38 1.43 0.18 0.00 0.43 0.00 0.00 52.55 54.97 1wpk s ASP 20 Cb -0.17 -2.53 0.84 0.00 -0.30 0.00 0.00 42.92 40.76 1wpk s ASP 20 CO 0.47 -1.56 1.55 -0.81 -0.17 0.00 0.00 175.17 174.65 1wpk n PRO 21 N 8.19 0.12 -1.27 4.34 -0.04 -1.26 -2.20 135.00 142.88 1wpk n PRO 21 Ca 0.22 0.48 -0.27 0.00 -0.04 0.00 0.00 63.50 63.89 1wpk n PRO 21 Cb 0.46 -1.79 0.14 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.02 5.23 -1.77 3.54 3.02 -1.26 -4.54 115.26 117.46 1wpk n ASN 22 Ca 0.01 -3.70 -0.10 0.00 -0.03 0.00 0.00 54.58 50.76 1wpk n ASN 22 Cb 0.12 -0.86 0.18 0.00 -0.61 0.00 0.00 39.78 38.61 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 -1.04 4.36 -1.55 5.41 0.00 -0.93 -4.91 120.51 121.85 1wpk n ALA 23 Ca 0.59 -1.87 -0.19 0.00 0.00 0.00 0.00 53.44 51.96 1wpk n ALA 23 Cb 1.21 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.33 1.21 0.00 0.00 9.92 -1.26 0.97 116.55 127.05 1wpk n ASP 24 Ca 0.36 -1.12 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 1wpk n ASP 24 Cb 1.22 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 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 6.45 0.77 0.00 0.44 0.00 -1.26 -5.07 105.19 106.52 1wpk n GLY 25 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.27 -4.29 120.64 119.30 1wpk n GLU 26 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1wpk n GLU 26 Cb 0.00 -0.72 -0.07 0.00 -1.01 0.00 0.00 31.44 29.64 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 -0.51 -0.23 -0.06 -0.32 -0.12 -1.19 -4.01 117.98 111.55 1wpk s PHE 27 Ca 0.00 0.55 -0.20 0.00 -0.05 0.00 0.00 56.93 57.23 1wpk s PHE 27 Cb 0.00 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 1wpk s PHE 27 CO 0.00 -0.11 0.56 0.14 -0.05 0.00 0.00 175.22 175.76 1wpk s VAL 28 N 0.12 5.04 -0.35 -2.49 -7.23 0.25 -3.91 120.40 111.85 1wpk s VAL 28 Ca 0.06 1.15 -0.20 0.00 -1.81 0.00 0.00 61.98 61.17 1wpk s VAL 28 Cb -0.05 -3.89 0.00 0.00 0.56 0.00 0.00 36.38 33.00 1wpk s VAL 28 CO -0.12 0.37 0.63 -0.36 -0.31 0.00 0.00 175.10 175.31 1wpk s PHE 29 N 0.22 3.16 -0.13 2.82 0.08 -1.26 -0.69 117.98 122.18 1wpk s PHE 29 Ca 0.30 0.38 -0.21 0.00 0.12 0.00 0.00 56.93 57.51 1wpk s PHE 29 Cb -0.17 -3.11 -0.03 0.00 -0.57 0.00 0.00 43.02 39.14 1wpk s PHE 29 CO 0.15 -0.60 0.64 0.00 -0.10 0.00 0.00 175.22 175.30 1wpk s ALA 30 N 2.69 3.45 -0.35 5.36 0.00 0.47 -4.03 121.76 129.36 1wpk s ALA 30 Ca 0.24 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 1wpk s ALA 30 Cb -0.15 -2.92 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 1wpk s ALA 30 CO 0.14 -0.29 0.22 0.08 0.00 0.00 0.00 175.76 175.92 1wpk s VAL 31 N 1.27 5.03 0.20 0.00 1.01 0.49 0.75 120.40 129.16 1wpk s VAL 31 Ca 0.32 -0.40 0.13 0.00 0.00 0.00 0.00 61.98 62.03 1wpk s VAL 31 Cb -0.16 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1wpk s VAL 31 CO 0.13 -0.06 1.62 -0.09 0.00 0.00 0.00 175.10 176.70 1wpk h ARG 32 N 8.47 0.00 0.60 2.72 1.12 -1.86 1.03 114.38 126.47 1wpk h ARG 32 Ca -0.30 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.54 1wpk h ARG 32 Cb 1.14 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.11 1wpk h ARG 32 CO 0.65 0.57 -0.29 1.79 -3.11 0.00 0.00 179.97 179.57 1wpk h THR 33 N 0.00 0.06 0.00 0.20 1.35 -1.93 -3.32 112.91 109.27 1wpk h THR 33 Ca -0.01 -0.40 -0.08 0.00 -0.55 0.00 0.00 66.41 65.37 1wpk h THR 33 Cb 1.10 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1wpk h THR 33 CO 0.07 0.01 -0.87 0.71 -0.25 0.00 0.00 175.52 175.19 1wpk h THR 34 N -1.19 0.35 -0.92 6.82 1.35 -1.97 -3.48 112.91 113.87 1wpk h THR 34 Ca -0.08 -1.59 -0.01 0.00 -0.55 0.00 0.00 66.41 64.17 1wpk h THR 34 Cb 0.64 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1wpk h THR 34 CO 0.14 0.20 -0.02 0.61 -0.25 0.00 0.00 175.52 176.20 1wpk n GLY 35 N 1.25 0.79 3.29 5.82 0.00 0.35 -4.94 105.19 111.75 1wpk n GLY 35 Ca -0.02 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.80 1.66 0.33 -0.61 -4.36 -0.89 -0.51 121.20 114.02 1wpk s ILE 36 Ca 0.01 -1.74 0.01 0.00 -0.26 0.00 0.00 60.65 58.67 1wpk s ILE 36 Cb -0.01 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 42.04 1wpk s ILE 36 CO 0.02 -0.25 0.02 2.22 0.24 0.00 0.00 174.94 177.19 1wpk n PHE 37 N 0.62 0.64 -2.64 1.37 -1.74 0.38 0.19 117.46 116.28 1wpk n PHE 37 Ca -0.16 -1.69 -0.22 0.00 -0.56 0.00 0.00 57.45 54.82 1wpk n PHE 37 Cb 0.56 -0.18 0.06 0.00 1.52 0.00 0.00 39.48 41.44 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 -3.19 2.30 0.22 3.97 1.81 -1.18 -1.28 118.95 121.59 1wpk s ARG 39 Ca 0.03 -0.90 -0.15 0.00 -1.72 0.00 0.00 55.73 52.99 1wpk s ARG 39 Cb 0.00 -2.45 0.24 0.00 -0.45 0.00 0.00 34.95 32.29 1wpk s ARG 39 CO 0.02 -0.92 1.60 -1.35 -0.68 0.00 0.00 175.30 173.97 1wpk h PRO 40 N -0.09 -0.04 0.00 3.54 0.11 -1.84 -3.38 132.00 130.30 1wpk h PRO 40 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1wpk h PRO 40 Cb 1.29 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wpk h PRO 40 CO 0.49 -0.03 0.00 0.43 -0.21 0.00 0.00 178.00 178.68 1wpk n SER 41 N -5.47 0.00 -0.56 -2.05 7.64 -1.26 -3.16 113.62 108.77 1wpk n SER 41 Ca 0.08 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.97 1wpk n SER 41 Cb 0.36 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.99 0.00 -2.80 0.00 1.85 -1.26 -4.70 116.66 107.76 1wpk n ARG 43 Ca -0.00 -1.17 -0.42 0.00 -1.00 0.00 0.00 57.85 55.26 1wpk n ARG 43 Cb 0.18 -0.10 -0.03 0.00 -1.05 0.00 0.00 32.46 31.45 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wpk s ALA 44 N 0.00 3.53 -0.56 2.89 0.00 -1.26 -4.95 121.76 121.40 1wpk s ALA 44 Ca 0.11 0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 1wpk s ALA 44 Cb 0.13 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 1wpk s ALA 44 CO -0.06 -0.72 2.44 0.54 0.00 0.00 0.00 175.76 177.96 1wpk n ARG 45 N 5.40 0.91 -3.72 0.00 5.12 -1.26 -4.88 116.66 118.23 1wpk n ARG 45 Ca 0.07 -0.08 -0.12 0.00 -1.93 0.00 0.00 57.85 55.79 1wpk n ARG 45 Cb 0.48 -3.30 -0.10 0.00 -1.16 0.00 0.00 32.46 28.38 1wpk n ARG 45 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1wpk s HIS 46 N 12.15 -0.49 0.20 -1.55 3.76 -1.26 -5.09 115.29 123.01 1wpk s HIS 46 Ca 1.01 1.14 0.00 0.00 -0.15 0.00 0.00 55.06 57.06 1wpk s HIS 46 Cb -0.26 0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.61 1wpk s HIS 46 CO 0.27 -0.26 0.00 0.00 -0.85 0.00 0.00 174.74 173.90 1wpk n ALA 47 N 3.37 -2.14 -1.14 -1.40 0.00 -1.26 -4.97 120.51 112.98 1wpk n ALA 47 Ca -0.17 0.43 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 1wpk n ALA 47 Cb 0.56 -1.36 0.05 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 1.67 0.00 -2.93 0.00 4.77 -1.26 -4.74 117.00 114.51 1wpk n LEU 48 Ca 0.00 -0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.41 1wpk n LEU 48 Cb 0.00 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1wpk n LEU 48 CO 0.00 -0.89 2.68 -1.14 -1.33 0.00 0.00 177.39 176.71 1wpk n ARG 49 N -1.81 2.86 0.00 3.23 0.63 -1.26 -3.02 116.66 117.28 1wpk n ARG 49 Ca 0.03 -1.69 0.00 0.00 -0.92 0.00 0.00 57.85 55.28 1wpk n ARG 49 Cb 0.13 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.54 1wpk n ARG 49 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1wpk n GLU 50 N 3.40 0.00 -1.06 -0.14 0.28 -1.26 -4.96 120.64 116.91 1wpk n GLU 50 Ca 0.61 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.42 1wpk n GLU 50 Cb 0.38 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.42 1wpk n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1wpk n ASN 51 N -0.52 3.75 -4.13 -1.84 3.02 -1.17 -4.90 115.26 109.48 1wpk n ASN 51 Ca 0.00 -3.37 -0.23 0.00 -0.03 0.00 0.00 54.58 50.95 1wpk n ASN 51 Cb 0.00 -0.79 -0.15 0.00 -0.61 0.00 0.00 39.78 38.23 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 -2.86 1.18 0.21 2.41 0.11 -1.23 -3.67 120.40 116.54 1wpk s VAL 52 Ca 0.50 -0.67 0.07 0.00 -2.93 0.00 0.00 61.98 58.95 1wpk s VAL 52 Cb 0.42 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1wpk s VAL 52 CO 0.10 0.31 0.11 -0.44 -3.33 0.00 0.00 175.10 171.85 1wpk s SER 53 N -0.41 5.27 -0.15 3.54 0.01 0.23 -4.92 113.70 117.27 1wpk s SER 53 Ca 0.06 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1wpk s SER 53 Cb -0.06 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 64.90 1wpk s SER 53 CO -0.00 0.03 -0.21 -0.36 0.41 0.00 0.00 173.24 173.10 1wpk s PHE 54 N -1.94 2.70 -0.02 2.43 0.08 -1.26 -0.40 117.98 119.57 1wpk s PHE 54 Ca 0.31 -1.40 0.05 0.00 0.12 0.00 0.00 56.93 56.01 1wpk s PHE 54 Cb -0.09 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.51 1wpk s PHE 54 CO 0.23 -0.65 -0.18 0.71 -0.10 0.00 0.00 175.22 175.23 1wpk s TYR 55 N 0.93 1.62 0.13 0.36 2.02 0.14 -4.96 117.35 117.58 1wpk s TYR 55 Ca -0.04 -0.33 -0.15 0.00 -0.37 0.00 0.00 57.07 56.18 1wpk s TYR 55 Cb -0.15 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1wpk s TYR 55 CO -0.04 -0.05 1.61 0.00 -1.57 0.00 0.00 175.55 175.49 1wpk h ALA 56 N 5.80 0.54 -2.86 3.71 0.00 -1.85 0.73 119.26 125.33 1wpk h ALA 56 Ca -0.36 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.02 1wpk h ALA 56 Cb 1.15 -0.15 -0.19 0.00 0.00 0.00 0.00 17.79 18.60 1wpk h ALA 56 CO 0.48 0.26 -0.73 1.21 0.00 0.00 0.00 179.25 180.47 1wpk s ASN 57 N -6.10 1.27 0.51 0.00 2.47 -1.26 -4.38 114.94 107.46 1wpk s ASN 57 Ca -0.13 -0.74 0.16 0.00 0.42 0.00 0.00 52.86 52.56 1wpk s ASN 57 Cb 0.10 0.02 1.23 0.00 -1.45 0.00 0.00 41.25 41.15 1wpk s ASN 57 CO 0.78 -0.25 2.12 0.00 -3.72 0.00 0.00 177.10 176.03 1wpk h ALA 58 N 3.82 2.00 -0.02 1.71 0.00 -1.96 -0.74 119.26 124.08 1wpk h ALA 58 Ca -0.37 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1wpk h ALA 58 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1wpk h ALA 58 CO 0.50 -0.02 -0.37 0.77 0.00 0.00 0.00 179.25 180.12 1wpk h SER 59 N 0.07 0.03 0.09 0.00 0.02 -1.98 -0.83 113.55 110.94 1wpk h SER 59 Ca 0.04 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1wpk h SER 59 Cb 0.08 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1wpk h SER 59 CO -0.01 0.40 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.71 1wpk h GLU 60 N 0.03 -0.11 -0.59 3.45 4.39 -1.55 -2.59 114.58 117.60 1wpk h GLU 60 Ca 0.00 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 1wpk h GLU 60 Cb 0.67 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1wpk h GLU 60 CO 0.05 0.37 0.10 0.00 -1.16 0.00 0.00 179.01 178.37 1wpk h ALA 61 N 0.15 0.79 -0.39 3.43 0.00 -1.48 -2.85 119.26 118.91 1wpk h ALA 61 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1wpk h ALA 61 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1wpk h ALA 61 CO 0.02 0.54 0.20 1.25 0.00 0.00 0.00 179.25 181.27 1wpk h LEU 62 N 0.89 0.31 -1.36 0.00 6.46 -1.22 -2.09 115.31 118.29 1wpk h LEU 62 Ca 0.18 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 1wpk h LEU 62 Cb 0.42 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 1wpk h LEU 62 CO 0.01 0.22 0.45 0.00 -0.62 0.00 0.00 178.44 178.51 1wpk h ALA 63 N 1.20 1.60 0.00 1.25 0.00 -1.35 -0.41 119.26 121.54 1wpk h ALA 63 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1wpk h ALA 63 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1wpk h ALA 63 CO -0.11 0.33 -0.04 0.00 0.00 0.00 0.00 179.25 179.44 1wpk h ALA 64 N 1.60 1.20 0.00 0.00 0.00 -1.15 -3.45 119.26 117.46 1wpk h ALA 64 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wpk h ALA 64 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wpk h ALA 64 CO -0.07 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1wpk n GLY 65 N -0.87 0.65 3.09 0.00 0.00 -0.17 -5.12 105.19 102.76 1wpk n GLY 65 Ca -0.02 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.58 0.62 -0.09 1.61 0.08 -1.16 -4.95 117.98 113.50 1wpk s PHE 66 Ca 0.00 -0.79 -0.12 0.00 0.12 0.00 0.00 56.93 56.14 1wpk s PHE 66 Cb 0.00 -0.39 -0.05 0.00 -0.57 0.00 0.00 43.02 42.01 1wpk s PHE 66 CO 0.00 -0.21 0.30 0.50 -0.10 0.00 0.00 175.22 175.71 1wpk s ARG 67 N -2.89 3.93 0.35 0.44 3.00 0.33 -4.48 118.95 119.63 1wpk s ARG 67 Ca 0.00 0.15 -0.26 0.00 -1.00 0.00 0.00 55.73 54.62 1wpk s ARG 67 Cb -0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 34.95 31.56 1wpk s ARG 67 CO -0.04 0.53 1.07 -1.25 0.00 0.00 0.00 175.30 175.61 1wpk s PRO 68 N -0.45 4.37 -0.25 5.12 0.04 -1.26 0.14 135.00 142.71 1wpk s PRO 68 Ca 0.19 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 1wpk s PRO 68 Cb -0.14 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.61 1wpk s PRO 68 CO 0.07 0.01 -0.06 0.00 0.04 0.00 0.00 177.00 177.07 1wpk n LYS 70 N 4.66 0.65 -0.97 0.00 5.02 -1.26 -3.12 118.16 123.14 1wpk n LYS 70 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1wpk n LYS 70 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1wpk n LYS 70 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wpk n ARG 71 N -0.89 -0.12 -1.01 1.97 0.00 -1.26 -4.87 116.66 110.49 1wpk n ARG 71 Ca 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 57.85 57.82 1wpk n ARG 71 Cb 0.00 -2.98 0.16 0.00 0.00 0.00 0.00 32.46 29.64 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wpk n GLN 73 N -1.03 -2.50 0.01 0.00 3.00 -1.26 -3.24 117.38 112.35 1wpk n GLN 73 Ca 0.31 2.13 -0.18 0.00 -0.01 0.00 0.00 57.00 59.26 1wpk n GLN 73 Cb 0.88 -4.63 -0.13 0.00 0.00 0.00 0.00 30.24 26.35 1wpk n GLN 73 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1wpk h PRO 74 N 2.54 0.22 0.00 -1.09 0.13 -1.95 -3.42 132.00 128.44 1wpk h PRO 74 Ca -0.08 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1wpk h PRO 74 Cb 0.72 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1wpk h PRO 74 CO 0.15 1.12 0.00 -0.85 -0.23 0.00 0.00 178.00 178.19 1wpk n GLU 75 N -4.30 0.00 -2.54 0.86 0.28 -1.26 -4.87 120.64 108.81 1wpk n GLU 75 Ca -0.12 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.84 1wpk n GLU 75 Cb 0.68 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.52 1wpk n GLU 75 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wpk n LYS 76 N 0.00 -3.98 0.00 3.44 4.76 -1.26 -5.04 118.16 116.08 1wpk n LYS 76 Ca 0.00 3.07 0.00 0.00 -2.87 0.00 0.00 58.31 58.51 1wpk n LYS 76 Cb 0.00 -4.86 0.00 0.00 -1.84 0.00 0.00 35.03 28.33 1wpk n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wpk n ALA 77 N 1.31 0.62 -2.70 7.82 0.00 -1.26 -5.11 120.51 121.19 1wpk n ALA 77 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1wpk n ALA 77 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 1wpk n ALA 77 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wpk s ASN 78 N 0.11 7.25 0.09 0.00 0.01 -1.26 -4.95 114.94 116.19 1wpk s ASN 78 Ca 0.00 1.52 -0.09 0.00 -0.71 0.00 0.00 52.86 53.58 1wpk s ASN 78 Cb 0.00 -2.54 -0.21 0.00 0.41 0.00 0.00 41.25 38.91 1wpk s ASN 78 CO 0.00 -0.32 1.19 0.00 -1.51 0.00 0.00 177.10 176.46 1wpk h ALA 79 N 6.94 0.16 0.00 0.60 0.00 -2.05 -3.46 119.26 121.46 1wpk h ALA 79 Ca -0.36 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1wpk h ALA 79 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wpk h ALA 79 CO 0.79 0.77 0.00 1.04 0.00 0.00 0.00 179.25 181.86 1wpk n GLN 80 N -3.75 0.00 -2.76 0.00 1.13 -1.26 -5.12 117.38 105.62 1wpk n GLN 80 Ca -0.10 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.93 1wpk n GLN 80 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.27 1wpk n GLN 80 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1wpk n GLN 81 N -3.30 -3.14 -3.40 -1.09 0.00 -1.26 -5.07 117.38 100.12 1wpk n GLN 81 Ca 0.00 2.58 0.03 0.00 -0.00 0.00 0.00 57.00 59.61 1wpk n GLN 81 Cb 0.00 -5.49 -0.05 0.00 0.00 0.00 0.00 30.24 24.70 1wpk n GLN 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1wpk s HIS 82 N -1.96 -0.18 0.05 3.69 2.46 -1.26 -5.03 115.29 113.06 1wpk s HIS 82 Ca 0.08 0.33 -0.17 0.00 0.47 0.00 0.00 55.06 55.77 1wpk s HIS 82 Cb -0.02 0.11 -0.19 0.00 -0.13 0.00 0.00 32.58 32.34 1wpk s HIS 82 CO 0.78 -0.09 1.21 0.00 -2.47 0.00 0.00 174.74 174.17 1wpk h ARG 83 N 6.36 0.56 -0.34 2.88 3.08 -1.99 -2.22 114.38 122.72 1wpk h ARG 83 Ca -0.19 -0.50 -0.16 0.00 0.07 0.00 0.00 59.98 59.20 1wpk h ARG 83 Cb 1.14 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 1wpk h ARG 83 CO 0.13 1.12 -0.43 1.25 -1.07 0.00 0.00 179.97 180.98 1wpk h LEU 84 N 0.17 0.96 -1.04 3.04 6.46 -1.97 -2.55 115.31 120.38 1wpk h LEU 84 Ca -0.06 -0.49 -0.09 0.00 -0.12 0.00 0.00 57.88 57.12 1wpk h LEU 84 Cb 1.28 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1wpk h LEU 84 CO 0.13 1.26 -0.35 -0.78 -0.62 0.00 0.00 178.44 178.08 1wpk h ASP 85 N 0.68 0.25 0.42 1.25 3.58 -1.97 -1.98 116.42 118.65 1wpk h ASP 85 Ca 0.04 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 1wpk h ASP 85 Cb 1.03 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1wpk h ASP 85 CO 0.10 0.59 -0.20 0.11 -2.88 0.00 0.00 179.24 176.96 1wpk h LYS 86 N 0.21 -0.54 -0.59 0.28 1.57 -1.31 -2.57 116.57 113.62 1wpk h LYS 86 Ca 0.02 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1wpk h LYS 86 Cb 0.72 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1wpk h LYS 86 CO 0.05 -0.24 0.39 -0.84 -0.57 0.00 0.00 179.45 178.24 1wpk h ILE 87 N -0.99 1.00 -0.83 1.86 -0.00 -1.48 -0.60 117.51 116.46 1wpk h ILE 87 Ca -0.06 -0.19 -0.02 0.00 -0.00 0.00 0.00 64.86 64.58 1wpk h ILE 87 Cb 0.55 0.38 -0.04 0.00 -0.00 0.00 0.00 36.82 37.72 1wpk h ILE 87 CO 0.09 0.10 0.42 0.74 -0.00 0.00 0.00 178.15 179.51 1wpk h THR 88 N 0.57 1.25 -0.22 0.16 2.02 -1.34 0.29 112.91 115.63 1wpk h THR 88 Ca 0.25 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 1wpk h THR 88 Cb 0.27 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1wpk h THR 88 CO -0.07 0.29 -0.44 -0.74 0.37 0.00 0.00 175.52 174.93 1wpk h HIS 89 N 1.17 0.65 -0.35 3.16 2.76 -0.72 -3.00 115.15 118.82 1wpk h HIS 89 Ca 0.29 -0.20 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 1wpk h HIS 89 Cb 0.08 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1wpk h HIS 89 CO 0.01 0.89 -0.11 0.00 -1.30 0.00 0.00 177.93 177.42 1wpk h ALA 90 N 1.08 0.49 -0.92 5.26 0.00 -0.65 -0.09 119.26 124.42 1wpk h ALA 90 Ca 0.03 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.71 1wpk h ALA 90 Cb 0.95 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1wpk h ALA 90 CO 0.08 0.36 0.57 0.00 0.00 0.00 0.00 179.25 180.27 1wpk h ARG 92 N 0.98 0.70 -0.06 0.00 2.47 -1.41 -3.19 114.38 113.86 1wpk h ARG 92 Ca 0.43 -0.72 -0.04 0.00 -1.26 0.00 0.00 59.98 58.39 1wpk h ARG 92 Cb 0.30 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1wpk h ARG 92 CO -0.22 1.30 -0.14 1.25 0.56 0.00 0.00 179.97 182.72 1wpk h LEU 93 N 0.38 0.09 -4.20 3.04 6.46 -0.27 -2.65 115.31 118.15 1wpk h LEU 93 Ca -0.11 -0.02 -0.58 0.00 -0.12 0.00 0.00 57.88 57.05 1wpk h LEU 93 Cb 1.62 -0.02 -0.23 0.00 -0.73 0.00 0.00 40.66 41.29 1wpk h LEU 93 CO 0.19 0.25 0.72 -0.11 -0.62 0.00 0.00 178.44 178.87 1wpk n LEU 94 N -4.32 7.16 -1.95 2.25 0.00 0.97 -4.60 117.00 116.50 1wpk n LEU 94 Ca -0.02 -4.14 -0.20 0.00 0.00 0.00 0.00 56.01 51.65 1wpk n LEU 94 Cb 0.24 -1.07 0.10 0.00 0.00 0.00 0.00 43.42 42.69 1wpk n LEU 94 CO 0.37 1.53 1.16 -1.84 0.00 0.00 0.00 177.39 178.61 1wpk n GLU 95 N -0.20 2.00 -2.86 1.96 0.28 -1.00 -4.93 120.64 115.89 1wpk n GLU 95 Ca 0.51 -2.20 -0.19 0.00 -0.16 0.00 0.00 57.16 55.11 1wpk n GLU 95 Cb 0.52 -1.86 0.07 0.00 1.43 0.00 0.00 31.44 31.61 1wpk n GLU 95 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1wpk n GLN 96 N -0.48 0.50 -0.04 3.44 6.02 -1.26 -5.06 117.38 120.50 1wpk n GLN 96 Ca 0.43 -2.98 -0.05 0.00 -0.01 0.00 0.00 57.00 54.39 1wpk n GLN 96 Cb 1.04 -0.30 -0.05 0.00 1.02 0.00 0.00 30.24 31.95 1wpk n GLN 96 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wpk n GLU 97 N -2.33 1.59 -2.69 -1.09 -0.58 -1.26 -5.02 120.64 109.26 1wpk n GLU 97 Ca 0.16 0.02 -0.37 0.00 -0.42 0.00 0.00 57.16 56.55 1wpk n GLU 97 Cb 0.58 -1.18 -0.06 0.00 -0.57 0.00 0.00 31.44 30.21 1wpk n GLU 97 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1wpk s THR 98 N -2.18 4.02 -0.07 2.62 2.01 -1.26 -4.96 115.64 115.82 1wpk s THR 98 Ca -0.08 1.65 -0.35 0.00 0.31 0.00 0.00 61.69 63.22 1wpk s THR 98 Cb 0.03 -3.91 -0.13 0.00 0.01 0.00 0.00 72.50 68.50 1wpk s THR 98 CO 0.26 0.11 1.77 -2.65 -0.69 0.00 0.00 174.62 173.42 1wpk n PRO 99 N 0.41 1.90 -4.00 4.92 -0.02 -1.26 -4.97 135.00 131.99 1wpk n PRO 99 Ca 0.03 0.70 -0.28 0.00 -2.02 0.00 0.00 63.50 61.92 1wpk n PRO 99 Cb 0.50 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.19 4.96 0.25 -1.45 0.11 -1.26 -5.07 120.40 121.13 1wpk s VAL 100 Ca 0.91 -0.75 -0.30 0.00 -2.93 0.00 0.00 61.98 58.91 1wpk s VAL 100 Cb -0.78 -3.49 -0.10 0.00 -1.53 0.00 0.00 36.38 30.48 1wpk s VAL 100 CO 0.52 -0.01 1.37 -0.89 -3.33 0.00 0.00 175.10 172.76 1wpk s THR 101 N -1.64 2.82 -0.04 5.04 2.01 -1.26 -4.95 115.64 117.62 1wpk s THR 101 Ca 0.33 0.71 -0.24 0.00 0.31 0.00 0.00 61.69 62.80 1wpk s THR 101 Cb -0.11 -3.46 -0.18 0.00 0.01 0.00 0.00 72.50 68.76 1wpk s THR 101 CO 0.26 0.13 1.03 0.25 -0.69 0.00 0.00 174.62 175.59 1wpk h LEU 102 N 4.74 -0.12 -2.19 4.42 5.85 -2.01 -3.20 115.31 122.80 1wpk h LEU 102 Ca -0.46 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 57.81 1wpk h LEU 102 Cb 1.22 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1wpk h LEU 102 CO 0.75 0.44 -0.00 1.05 -0.34 0.00 0.00 178.44 180.34 1wpk h GLU 103 N -0.73 0.00 -0.31 1.25 4.11 -1.98 -2.25 114.58 114.67 1wpk h GLU 103 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.46 1wpk h GLU 103 Cb 0.55 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1wpk h GLU 103 CO 0.02 0.00 0.04 0.00 0.07 0.00 0.00 179.01 179.14 1wpk h ALA 104 N 2.00 0.31 -0.05 1.06 0.00 -1.95 0.42 119.26 121.04 1wpk h ALA 104 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1wpk h ALA 104 Cb 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wpk h ALA 104 CO 0.00 -0.37 -0.09 1.25 0.00 0.00 0.00 179.25 180.04 1wpk h LEU 105 N 0.14 0.07 -1.07 0.00 5.85 -1.47 0.25 115.31 119.07 1wpk h LEU 105 Ca 0.15 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1wpk h LEU 105 Cb 0.18 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1wpk h LEU 105 CO -0.22 0.17 -0.36 0.00 -0.34 0.00 0.00 178.44 177.70 1wpk h ALA 106 N 1.84 1.07 -0.31 1.25 0.00 -0.48 -2.85 119.26 119.77 1wpk h ALA 106 Ca 0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1wpk h ALA 106 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wpk h ALA 106 CO 0.01 0.45 -0.16 0.22 0.00 0.00 0.00 179.25 179.77 1wpk h ASP 107 N 0.00 0.69 -0.28 0.00 1.82 0.18 0.52 116.42 119.35 1wpk h ASP 107 Ca -0.00 -0.41 -0.13 0.00 -0.39 0.00 0.00 57.03 56.10 1wpk h ASP 107 Cb 0.82 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 1wpk h ASP 107 CO 0.05 0.94 -0.29 0.06 -1.61 0.00 0.00 179.24 178.39 1wpk h GLN 108 N 0.43 0.78 0.00 0.28 3.07 -1.43 -2.98 115.11 115.25 1wpk h GLN 108 Ca 0.07 -0.35 0.00 0.00 0.09 0.00 0.00 58.65 58.46 1wpk h GLN 108 Cb 0.69 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.23 1wpk h GLN 108 CO 0.05 0.98 -0.41 -0.39 0.09 0.00 0.00 178.83 179.14 1wpk h VAL 109 N 0.67 0.00 -4.11 1.86 -1.51 -1.47 -3.48 116.25 108.20 1wpk h VAL 109 Ca 0.08 -0.98 -0.25 0.00 -1.23 0.00 0.00 66.70 64.32 1wpk h VAL 109 Cb 0.82 1.77 0.09 0.00 -2.13 0.00 0.00 31.29 31.84 1wpk h VAL 109 CO 0.07 0.00 -0.44 0.00 -1.23 0.00 0.00 177.57 175.97 1wpk n ALA 110 N -2.12 -0.86 -2.35 5.19 0.00 0.17 -5.02 120.51 115.51 1wpk n ALA 110 Ca 0.02 0.25 -0.22 0.00 0.00 0.00 0.00 53.44 53.50 1wpk n ALA 110 Cb 0.53 -3.63 -0.08 0.00 0.00 0.00 0.00 19.45 16.28 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 -5.79 1.84 0.49 0.00 -1.94 -0.65 -5.04 119.30 108.21 1wpk s MET 111 Ca 0.36 -2.09 -0.01 0.00 -1.71 0.00 0.00 55.69 52.24 1wpk s MET 111 Cb -0.16 0.07 0.00 0.00 2.01 0.00 0.00 34.83 36.76 1wpk s MET 111 CO 0.47 -0.62 0.73 -1.12 -0.01 0.00 0.00 175.02 174.46 1wpk s SER 112 N -3.45 5.70 0.31 3.03 0.01 -1.26 -4.63 113.70 113.41 1wpk s SER 112 Ca 0.35 0.32 0.23 0.00 1.31 0.00 0.00 55.95 58.16 1wpk s SER 112 Cb 0.02 -1.46 1.14 0.00 0.21 0.00 0.00 66.02 65.93 1wpk s SER 112 CO 0.24 -0.84 1.70 -0.81 0.41 0.00 0.00 173.24 173.94 1wpk n PRO 113 N -2.22 0.16 0.03 12.44 -0.04 -1.26 -2.01 135.00 142.10 1wpk n PRO 113 Ca 0.03 0.58 -0.14 0.00 -0.04 0.00 0.00 63.50 63.93 1wpk n PRO 113 Cb 0.58 -1.95 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.78 0.05 0.54 -1.00 -1.98 -1.80 116.94 113.53 1wpk h PHE 114 Ca 0.00 -0.37 -0.00 0.00 2.81 0.00 0.00 57.97 60.41 1wpk h PHE 114 Cb 0.12 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1wpk h PHE 114 CO 0.00 1.17 -0.02 1.25 -1.61 0.00 0.00 178.31 179.09 1wpk h HIS 115 N 0.37 -0.06 -0.16 -0.55 2.76 -1.80 -1.25 115.15 114.47 1wpk h HIS 115 Ca -0.05 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1wpk h HIS 115 Cb 1.42 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.39 1wpk h HIS 115 CO 0.07 0.51 0.10 1.25 -1.30 0.00 0.00 177.93 178.56 1wpk h LEU 116 N -0.68 0.19 -1.03 0.26 6.46 -1.64 0.39 115.31 119.28 1wpk h LEU 116 Ca -0.01 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 1wpk h LEU 116 Cb 0.59 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1wpk h LEU 116 CO 0.01 0.17 0.18 -0.74 -0.62 0.00 0.00 178.44 177.44 1wpk h HIS 117 N 0.20 0.90 -0.09 1.25 2.76 -1.42 0.15 115.15 118.90 1wpk h HIS 117 Ca 0.06 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 1wpk h HIS 117 Cb 0.01 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.71 1wpk h HIS 117 CO -0.06 0.73 -0.21 0.00 -1.30 0.00 0.00 177.93 177.09 1wpk h ARG 118 N 0.85 0.30 -0.20 5.26 2.47 -0.86 -2.43 114.38 119.78 1wpk h ARG 118 Ca 0.19 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1wpk h ARG 118 Cb 0.25 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 1wpk h ARG 118 CO -0.01 0.81 0.05 1.25 0.56 0.00 0.00 179.97 182.62 1wpk h LEU 119 N -0.16 0.31 -1.86 3.04 7.12 -0.09 -0.66 115.31 123.01 1wpk h LEU 119 Ca -0.00 -0.24 0.01 0.00 0.13 0.00 0.00 57.88 57.78 1wpk h LEU 119 Cb 0.81 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1wpk h LEU 119 CO 0.05 0.47 0.12 0.15 -0.13 0.00 0.00 178.44 179.10 1wpk h PHE 120 N 0.14 0.18 0.00 1.25 3.57 -0.77 -1.00 116.94 120.31 1wpk h PHE 120 Ca 0.06 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.38 1wpk h PHE 120 Cb 0.28 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1wpk h PHE 120 CO 0.01 0.11 -0.89 0.87 -2.23 0.00 0.00 178.31 176.18 1wpk h LYS 121 N 0.19 0.00 -0.00 1.11 1.79 -1.11 0.99 116.57 119.54 1wpk h LYS 121 Ca 0.07 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.39 1wpk h LYS 121 Cb 0.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1wpk h LYS 121 CO -0.01 0.88 -0.72 0.00 -1.08 0.00 0.00 179.45 178.52 1wpk h ALA 122 N 1.11 0.80 0.00 3.86 0.00 0.12 -2.73 119.26 122.43 1wpk h ALA 122 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1wpk h ALA 122 Cb 1.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1wpk h ALA 122 CO 0.11 0.90 -0.36 2.41 0.00 0.00 0.00 179.25 182.31 1wpk n THR 123 N -3.69 0.57 0.05 0.00 -1.04 -0.59 -4.73 114.28 104.85 1wpk n THR 123 Ca -0.01 0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 62.22 1wpk n THR 123 Cb 0.70 -1.78 -0.08 0.00 -1.82 0.00 0.00 70.33 67.36 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 -0.36 1.02 0.00 12.58 2.02 -1.04 -3.47 112.91 123.66 1wpk h THR 124 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1wpk h THR 124 Cb 0.36 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1wpk h THR 124 CO 0.00 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.56 1wpk n GLY 125 N -0.86 3.03 3.27 2.16 0.00 -0.75 -4.99 105.19 107.05 1wpk n GLY 125 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.21 1.46 0.86 1.61 0.23 -1.26 -4.87 119.30 117.12 1wpk s MET 126 Ca 0.00 -0.99 -0.11 0.00 -1.03 0.00 0.00 55.69 53.56 1wpk s MET 126 Cb 0.00 -1.60 0.11 0.00 -1.53 0.00 0.00 34.83 31.81 1wpk s MET 126 CO 0.00 0.41 1.09 0.95 -2.03 0.00 0.00 175.02 175.44 1wpk s THR 127 N -0.82 2.84 0.53 3.16 -4.23 -1.26 -4.83 115.64 111.03 1wpk s THR 127 Ca 0.08 0.27 0.24 0.00 -1.18 0.00 0.00 61.69 61.11 1wpk s THR 127 Cb -0.09 -2.71 0.30 0.00 1.34 0.00 0.00 72.50 71.35 1wpk s THR 127 CO 0.02 -0.36 2.17 1.55 -0.54 0.00 0.00 174.62 177.47 1wpk h PRO 128 N -1.46 0.00 -0.04 3.99 0.13 -2.00 -1.64 132.00 130.98 1wpk h PRO 128 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1wpk h PRO 128 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1wpk h PRO 128 CO 0.52 0.04 -0.61 -0.22 -0.23 0.00 0.00 178.00 177.50 1wpk h LYS 129 N 0.00 0.13 -0.17 0.86 3.64 -2.01 -3.07 116.57 115.95 1wpk h LYS 129 Ca -0.00 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1wpk h LYS 129 Cb 0.09 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1wpk h LYS 129 CO 0.01 0.70 -0.46 0.00 -2.27 0.00 0.00 179.45 177.42 1wpk h ALA 130 N 1.28 0.90 -0.08 5.00 0.00 -1.65 -2.56 119.26 122.15 1wpk h ALA 130 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1wpk h ALA 130 Cb 1.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wpk h ALA 130 CO 0.09 0.65 0.05 -1.49 0.00 0.00 0.00 179.25 178.55 1wpk h TRP 131 N 0.34 0.10 -0.51 0.00 -0.00 -1.44 0.59 115.95 115.04 1wpk h TRP 131 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 1wpk h TRP 131 Cb 0.94 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 30.04 1wpk h TRP 131 CO 0.03 0.09 0.18 1.96 -0.00 0.00 0.00 178.44 180.70 1wpk h GLN 132 N 0.09 0.77 0.00 0.49 4.20 -1.55 -2.51 115.11 116.59 1wpk h GLN 132 Ca 0.03 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1wpk h GLN 132 Cb 0.01 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1wpk h GLN 132 CO -0.01 0.70 -0.38 1.96 -0.67 0.00 0.00 178.83 180.43 1wpk h GLN 133 N 0.68 0.00 -0.40 1.46 7.50 -1.24 -3.09 115.11 120.02 1wpk h GLN 133 Ca 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.31 1wpk h GLN 133 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.74 1wpk h GLN 133 CO -0.01 0.38 0.22 0.00 -1.50 0.00 0.00 178.83 177.91 1wpk h ALA 134 N 1.62 0.51 -0.35 3.87 0.00 0.63 0.13 119.26 125.67 1wpk h ALA 134 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1wpk h ALA 134 Cb 0.80 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wpk h ALA 134 CO 0.05 0.04 0.13 -1.49 0.00 0.00 0.00 179.25 177.98 1wpk h TRP 135 N 0.51 0.54 -0.71 0.00 6.55 -1.45 0.83 115.95 122.22 1wpk h TRP 135 Ca 0.14 -0.04 -0.06 0.00 0.95 0.00 0.00 58.89 59.87 1wpk h TRP 135 Cb 0.06 -0.16 -0.03 0.00 -0.86 0.00 0.00 29.16 28.17 1wpk h TRP 135 CO -0.02 0.51 0.20 -0.09 -1.05 0.00 0.00 178.44 177.98 1wpk h ARG 136 N 0.42 1.12 -0.10 0.49 1.12 -1.45 -1.00 114.38 114.97 1wpk h ARG 136 Ca 0.12 -0.25 -0.13 0.00 -1.11 0.00 0.00 59.98 58.60 1wpk h ARG 136 Cb 0.20 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1wpk h ARG 136 CO -0.01 0.97 -0.52 0.00 -3.11 0.00 0.00 179.97 177.31 1wpk h ALA 137 N 1.14 0.93 -0.10 2.80 0.00 -0.53 -2.43 119.26 121.07 1wpk h ALA 137 Ca 0.23 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1wpk h ALA 137 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wpk h ALA 137 CO -0.00 0.67 -0.68 -0.09 0.00 0.00 0.00 179.25 179.15 1wpk h ARG 138 N 0.22 0.42 -0.03 0.00 1.12 -0.50 -0.28 114.38 115.33 1wpk h ARG 138 Ca 0.01 -0.32 -0.13 0.00 -1.11 0.00 0.00 59.98 58.43 1wpk h ARG 138 Cb 0.99 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.99 1wpk h ARG 138 CO 0.08 0.95 -0.58 -0.09 -3.11 0.00 0.00 179.97 177.22 1wpk h ARG 139 N 0.30 0.10 0.14 0.20 2.43 -1.08 -0.52 114.38 115.94 1wpk h ARG 139 Ca -0.02 -0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 58.86 1wpk h ARG 139 Cb 1.24 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1wpk h ARG 139 CO 0.12 0.65 -1.04 1.25 -1.51 0.00 0.00 179.97 179.44 1wpk h LEU 140 N 0.08 0.47 -1.04 3.80 5.85 -1.36 -3.33 115.31 119.77 1wpk h LEU 140 Ca -0.00 -0.92 -0.10 0.00 0.84 0.00 0.00 57.88 57.69 1wpk h LEU 140 Cb 1.04 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1wpk h LEU 140 CO 0.08 1.48 -0.44 0.03 -0.34 0.00 0.00 178.44 179.25 1wpk h ARG 141 N -0.32 0.07 0.00 1.25 3.08 -1.07 -2.62 114.38 114.77 1wpk h ARG 141 Ca -0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1wpk h ARG 141 Cb 1.72 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.77 1wpk h ARG 141 CO 0.13 0.51 0.00 0.93 -1.07 0.00 0.00 179.97 180.47 1wpk h GLU 142 N 0.06 0.00 -1.02 0.04 5.08 -1.20 -1.64 114.58 115.90 1wpk h GLU 142 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1wpk h GLU 142 Cb 0.81 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.81 1wpk h GLU 142 CO 0.06 0.00 0.57 0.45 -1.00 0.00 0.00 179.01 179.09 1wpk n SER 143 N -3.05 4.12 -2.58 1.42 2.88 -0.99 -4.85 113.62 110.58 1wpk n SER 143 Ca -0.02 -3.36 -0.20 0.00 -1.33 0.00 0.00 58.87 53.95 1wpk n SER 143 Cb 0.11 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1wpk n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1wpk n LEU 144 N -0.82 -2.00 -4.83 2.46 7.94 -0.62 -4.96 117.00 114.18 1wpk n LEU 144 Ca 0.50 -0.06 -0.35 0.00 -1.11 0.00 0.00 56.01 54.98 1wpk n LEU 144 Cb 1.36 -2.83 -0.06 0.00 0.53 0.00 0.00 43.42 42.43 1wpk n LEU 144 CO 0.53 -0.09 0.36 0.00 -1.11 0.00 0.00 177.39 177.07 1wpk s ALA 145 N -3.02 3.46 0.00 1.96 0.00 -1.21 -5.06 121.76 117.90 1wpk s ALA 145 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1wpk s ALA 145 Cb -0.04 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1wpk s ALA 145 CO 0.10 0.37 0.00 1.63 0.00 0.00 0.00 175.76 177.86