#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 0.41 -0.82 0.03 1.02 -1.26 -5.08 119.74 114.03 1wpk s LYS 2 Ca 0.00 0.12 -0.25 0.00 0.02 0.00 0.00 55.97 55.86 1wpk s LYS 2 Cb 0.00 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.57 1wpk s LYS 2 CO 0.00 -0.22 1.90 -1.59 -0.92 0.00 0.00 175.35 174.52 1wpk s LYS 3 N 1.55 2.61 0.04 1.68 0.00 -1.26 -4.95 119.74 119.41 1wpk s LYS 3 Ca -0.02 -0.07 0.01 0.00 0.00 0.00 0.00 55.97 55.89 1wpk s LYS 3 Cb -0.13 -4.88 -0.04 0.00 0.00 0.00 0.00 37.83 32.78 1wpk s LYS 3 CO -0.03 -3.15 0.10 0.00 0.00 0.00 0.00 175.35 172.27 1wpk s ALA 4 N 9.61 3.65 0.24 0.59 0.00 -1.26 -5.09 121.76 129.50 1wpk s ALA 4 Ca 0.68 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 1wpk s ALA 4 Cb -0.08 -1.56 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 1wpk s ALA 4 CO 0.05 0.74 1.18 0.99 0.00 0.00 0.00 175.76 178.72 1wpk s THR 5 N -1.33 3.43 -0.07 0.00 2.01 -1.26 -4.95 115.64 113.48 1wpk s THR 5 Ca 0.28 1.31 -0.04 0.00 0.31 0.00 0.00 61.69 63.55 1wpk s THR 5 Cb -0.12 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1wpk s THR 5 CO 0.20 0.26 -0.09 0.00 -0.69 0.00 0.00 174.62 174.29 1wpk n LEU 7 N -3.31 -2.05 -4.35 0.00 7.99 -1.26 -4.96 117.00 109.06 1wpk n LEU 7 Ca -0.14 -0.10 -0.20 0.00 -0.01 0.00 0.00 56.01 55.55 1wpk n LEU 7 Cb 0.60 -2.50 -0.08 0.00 -0.11 0.00 0.00 43.42 41.32 1wpk n LEU 7 CO 0.01 -0.03 -0.15 0.42 -1.51 0.00 0.00 177.39 176.12 1wpk s THR 8 N -2.93 0.19 0.59 -5.08 -4.23 -1.26 -5.00 115.64 97.92 1wpk s THR 8 Ca 0.10 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.89 1wpk s THR 8 Cb -0.04 -2.46 0.39 0.00 1.34 0.00 0.00 72.50 71.73 1wpk s THR 8 CO 0.12 0.00 1.86 -0.78 -0.54 0.00 0.00 174.62 175.28 1wpk h ASP 9 N 2.09 0.00 -0.20 3.99 1.82 -1.99 0.13 116.42 122.25 1wpk h ASP 9 Ca -0.29 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.20 1wpk h ASP 9 Cb 1.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1wpk h ASP 9 CO 0.45 0.00 -0.44 -0.78 -1.61 0.00 0.00 179.24 176.86 1wpk h ASP 10 N 0.00 0.74 -0.20 2.28 3.58 -1.97 -2.23 116.42 118.61 1wpk h ASP 10 Ca 0.24 -0.56 -0.19 0.00 0.42 0.00 0.00 57.03 56.94 1wpk h ASP 10 Cb 1.31 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1wpk h ASP 10 CO -0.00 1.16 -0.61 -0.61 -2.88 0.00 0.00 179.24 176.29 1wpk h GLN 11 N 0.35 0.81 0.46 0.28 -0.00 -1.16 -2.70 115.11 113.15 1wpk h GLN 11 Ca 0.00 -0.55 -0.02 0.00 -0.00 0.00 0.00 58.65 58.08 1wpk h GLN 11 Cb 1.04 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.61 1wpk h GLN 11 CO 0.10 1.18 -0.22 0.00 0.00 0.00 0.00 178.83 179.88 1wpk h ARG 12 N 0.61 -0.60 -0.34 1.69 2.47 -1.33 -2.84 114.38 114.04 1wpk h ARG 12 Ca -0.00 0.04 0.10 0.00 -1.26 0.00 0.00 59.98 58.85 1wpk h ARG 12 Cb 1.22 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.66 1wpk h ARG 12 CO 0.13 -0.29 0.31 2.35 0.56 0.00 0.00 179.97 183.03 1wpk h TRP 13 N -0.92 0.00 0.41 3.04 -0.00 -1.50 -1.44 115.95 115.54 1wpk h TRP 13 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.81 1wpk h TRP 13 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.75 1wpk h TRP 13 CO 0.01 0.00 -0.20 1.96 -0.00 0.00 0.00 178.44 180.21 1wpk h GLN 14 N 0.00 -0.53 -0.57 2.65 1.08 -1.24 0.12 115.11 116.62 1wpk h GLN 14 Ca 0.16 0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.31 1wpk h GLN 14 Cb 0.78 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 1wpk h GLN 14 CO -0.00 -0.30 0.04 0.77 -0.95 0.00 0.00 178.83 178.39 1wpk h SER 15 N -0.66 0.96 -0.24 1.46 0.02 -1.18 0.10 113.55 114.00 1wpk h SER 15 Ca -0.06 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1wpk h SER 15 Cb 0.48 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1wpk h SER 15 CO 0.09 1.01 0.16 0.58 -1.14 0.00 0.00 176.83 177.53 1wpk h VAL 16 N 0.87 1.07 -0.20 2.27 2.07 -1.23 -0.59 116.25 120.51 1wpk h VAL 16 Ca 0.17 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 1wpk h VAL 16 Cb 0.50 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1wpk h VAL 16 CO 0.02 0.06 -0.44 -0.07 0.02 0.00 0.00 177.57 177.17 1wpk h LEU 17 N 0.33 0.51 -0.92 2.57 3.38 -0.66 -2.57 115.31 117.95 1wpk h LEU 17 Ca 0.09 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1wpk h LEU 17 Cb -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1wpk h LEU 17 CO -0.02 0.89 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1wpk h ALA 18 N 1.14 1.00 -6.53 1.53 0.00 -0.38 -3.46 119.26 112.56 1wpk h ALA 18 Ca 0.03 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.44 1wpk h ALA 18 Cb 0.93 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.49 1wpk h ALA 18 CO 0.08 0.00 -0.74 2.89 0.00 0.00 0.00 179.25 181.48 1wpk n ARG 19 N -2.44 -2.46 -2.01 0.00 1.85 -0.27 -4.83 116.66 106.50 1wpk n ARG 19 Ca 0.02 0.29 -0.43 0.00 -1.00 0.00 0.00 57.85 56.73 1wpk n ARG 19 Cb 0.24 -4.96 -0.03 0.00 -1.05 0.00 0.00 32.46 26.66 1wpk n ARG 19 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1wpk s ASP 20 N -3.07 5.95 0.29 2.89 -1.08 -1.24 -4.85 116.67 115.56 1wpk s ASP 20 Ca 0.66 1.33 0.23 0.00 -0.52 0.00 0.00 52.55 54.25 1wpk s ASP 20 Cb -0.37 -2.53 1.06 0.00 -1.46 0.00 0.00 42.92 39.63 1wpk s ASP 20 CO 0.81 -1.66 1.69 -0.81 0.52 0.00 0.00 175.17 175.72 1wpk n PRO 21 N 8.36 0.17 -1.15 4.34 -0.04 -1.26 -2.17 135.00 143.25 1wpk n PRO 21 Ca 0.22 0.52 -0.24 0.00 -0.04 0.00 0.00 63.50 63.96 1wpk n PRO 21 Cb 0.47 -1.91 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 -1.71 -0.04 0.00 0.00 175.50 173.75 1wpk n ASN 22 N -2.25 4.56 -1.83 3.54 2.85 -1.26 -4.46 115.26 116.41 1wpk n ASN 22 Ca 0.01 -3.51 -0.11 0.00 -0.11 0.00 0.00 54.58 50.86 1wpk n ASN 22 Cb 0.14 -0.85 0.19 0.00 1.24 0.00 0.00 39.78 40.50 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wpk n ALA 23 N -0.93 4.47 -1.55 5.20 0.00 -0.92 -4.90 120.51 121.87 1wpk n ALA 23 Ca 0.55 -1.99 -0.14 0.00 0.00 0.00 0.00 53.44 51.87 1wpk n ALA 23 Cb 1.36 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 1wpk n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wpk n ASP 24 N -0.36 1.39 0.00 0.00 5.75 -1.26 0.40 116.55 122.47 1wpk n ASP 24 Ca 0.38 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.76 1wpk n ASP 24 Cb 1.27 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1wpk n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wpk n GLY 25 N 6.64 0.48 0.00 6.12 0.00 -1.26 -5.08 105.19 112.09 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 -0.58 0.16 -4.98 120.64 113.21 1wpk n GLU 26 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1wpk n GLU 26 Cb 0.00 -0.47 -0.07 0.00 -0.57 0.00 0.00 31.44 30.33 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 -0.17 -0.40 -0.03 -0.32 -0.12 -1.19 -4.79 117.98 110.95 1wpk s PHE 27 Ca 0.00 0.97 -0.20 0.00 -0.05 0.00 0.00 56.93 57.66 1wpk s PHE 27 Cb 0.00 0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 1wpk s PHE 27 CO 0.00 -0.19 0.55 0.14 -0.05 0.00 0.00 175.22 175.67 1wpk s VAL 28 N 0.26 5.00 -0.31 -2.49 -7.23 0.32 -3.93 120.40 112.02 1wpk s VAL 28 Ca 0.03 1.15 -0.19 0.00 -1.81 0.00 0.00 61.98 61.16 1wpk s VAL 28 Cb -0.05 -3.89 -0.01 0.00 0.56 0.00 0.00 36.38 32.99 1wpk s VAL 28 CO -0.08 0.40 0.55 -0.36 -0.31 0.00 0.00 175.10 175.30 1wpk s PHE 29 N -0.03 3.21 -0.08 2.82 0.08 -1.26 0.20 117.98 122.93 1wpk s PHE 29 Ca 0.29 0.44 -0.22 0.00 0.12 0.00 0.00 56.93 57.56 1wpk s PHE 29 Cb -0.17 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 1wpk s PHE 29 CO 0.15 -0.45 0.63 0.00 -0.10 0.00 0.00 175.22 175.45 1wpk s ALA 30 N 2.45 3.39 -0.29 5.36 0.00 -0.27 -4.04 121.76 128.36 1wpk s ALA 30 Ca 0.21 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.11 1wpk s ALA 30 Cb -0.15 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 1wpk s ALA 30 CO 0.12 -0.05 0.15 0.08 0.00 0.00 0.00 175.76 176.05 1wpk s VAL 31 N 0.68 4.81 0.09 0.00 1.01 0.41 0.41 120.40 127.80 1wpk s VAL 31 Ca 0.34 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.28 1wpk s VAL 31 Cb -0.17 -3.34 -0.12 0.00 0.00 0.00 0.00 36.38 32.75 1wpk s VAL 31 CO 0.16 0.20 1.38 -0.09 0.00 0.00 0.00 175.10 176.75 1wpk h ARG 32 N 8.34 0.00 -0.02 2.72 1.12 -1.85 0.90 114.38 125.58 1wpk h ARG 32 Ca -0.35 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.52 1wpk h ARG 32 Cb 1.17 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.13 1wpk h ARG 32 CO 0.59 0.82 -0.01 1.79 -3.11 0.00 0.00 179.97 180.05 1wpk h THR 33 N 0.00 1.30 0.00 0.20 1.35 -1.93 -3.31 112.91 110.52 1wpk h THR 33 Ca -0.01 -0.91 -0.04 0.00 -0.55 0.00 0.00 66.41 64.91 1wpk h THR 33 Cb 1.56 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.84 1wpk h THR 33 CO 0.11 0.24 -1.74 0.35 -0.25 0.00 0.00 175.52 174.23 1wpk n THR 34 N -4.88 0.33 -2.64 6.82 -2.24 -1.25 -5.00 114.28 105.43 1wpk n THR 34 Ca -0.08 -0.55 -0.04 0.00 -2.27 0.00 0.00 64.05 61.11 1wpk n THR 34 Cb 0.21 -0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 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 1.28 0.68 3.13 3.38 0.00 0.31 -4.92 105.19 109.06 1wpk n GLY 35 Ca -0.05 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.00 1.06 0.10 -0.61 -4.36 -0.80 -0.60 121.20 113.00 1wpk s ILE 36 Ca 0.09 -0.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.49 1wpk s ILE 36 Cb -0.04 -0.97 0.00 0.00 1.25 0.00 0.00 42.46 42.70 1wpk s ILE 36 CO 0.11 -0.02 0.02 2.22 0.24 0.00 0.00 174.94 177.52 1wpk n PHE 37 N 1.89 -0.16 -2.55 1.37 1.16 -0.08 0.15 117.46 119.24 1wpk n PHE 37 Ca -0.18 -0.50 -0.22 0.00 -1.87 0.00 0.00 57.45 54.68 1wpk n PHE 37 Cb 0.55 -0.07 0.05 0.00 -1.61 0.00 0.00 39.48 38.39 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 -2.39 2.39 0.28 3.97 1.81 -1.19 -0.87 118.95 122.96 1wpk s ARG 39 Ca 0.02 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.31 1wpk s ARG 39 Cb -0.00 -2.41 0.65 0.00 -0.45 0.00 0.00 34.95 32.74 1wpk s ARG 39 CO 0.01 -0.89 1.64 -1.35 -0.68 0.00 0.00 175.30 174.04 1wpk h PRO 40 N -0.11 0.17 0.00 3.54 0.11 -1.83 -3.38 132.00 130.50 1wpk h PRO 40 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wpk h PRO 40 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1wpk h PRO 40 CO 0.52 0.11 0.00 0.43 -0.21 0.00 0.00 178.00 178.86 1wpk n SER 41 N -5.26 0.00 -0.60 -2.05 7.64 -1.26 -3.16 113.62 108.93 1wpk n SER 41 Ca 0.20 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.15 1wpk n SER 41 Cb 0.64 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.80 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 -3.05 0.20 -2.68 0.00 -4.01 -1.26 -4.59 116.66 101.27 1wpk n ARG 43 Ca -0.03 -0.56 -0.34 0.00 -1.04 0.00 0.00 57.85 55.87 1wpk n ARG 43 Cb 0.29 0.43 -0.05 0.00 -3.04 0.00 0.00 32.46 30.08 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1wpk s ALA 44 N 0.02 3.00 -0.67 2.89 0.00 -1.26 -4.96 121.76 120.79 1wpk s ALA 44 Ca 0.01 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.24 1wpk s ALA 44 Cb 0.06 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1wpk s ALA 44 CO -0.02 -0.08 1.75 1.03 0.00 0.00 0.00 175.76 178.45 1wpk s ARG 45 N -3.00 2.74 -0.27 0.00 0.52 -1.26 -4.91 118.95 112.78 1wpk s ARG 45 Ca 0.62 0.35 -0.24 0.00 -0.52 0.00 0.00 55.73 55.94 1wpk s ARG 45 Cb -0.14 -4.42 0.08 0.00 0.52 0.00 0.00 34.95 30.98 1wpk s ARG 45 CO 0.18 -2.66 0.74 -1.01 0.02 0.00 0.00 175.30 172.57 1wpk s HIS 46 N 8.45 -0.80 0.05 -0.53 3.76 -1.26 -5.09 115.29 119.87 1wpk s HIS 46 Ca 0.61 1.90 0.00 0.00 -0.15 0.00 0.00 55.06 57.41 1wpk s HIS 46 Cb -0.11 0.32 0.00 0.00 1.11 0.00 0.00 32.58 33.90 1wpk s HIS 46 CO 0.17 -0.39 0.00 0.00 -0.85 0.00 0.00 174.74 173.68 1wpk n ALA 47 N 2.87 -2.09 -1.03 -1.40 0.00 -1.26 -4.95 120.51 112.65 1wpk n ALA 47 Ca -0.15 0.46 -0.04 0.00 0.00 0.00 0.00 53.44 53.71 1wpk n ALA 47 Cb 0.56 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 1.72 0.00 -2.94 0.00 4.77 -1.26 -4.64 117.00 114.65 1wpk n LEU 48 Ca 0.00 -0.24 -0.27 0.00 -0.03 0.00 0.00 56.01 55.47 1wpk n LEU 48 Cb 0.00 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1wpk n LEU 48 CO 0.00 -1.17 2.63 -1.14 -1.33 0.00 0.00 177.39 176.38 1wpk n ARG 49 N -2.09 2.78 0.00 3.23 0.63 -1.26 -2.98 116.66 116.97 1wpk n ARG 49 Ca 0.03 -1.66 0.00 0.00 -0.92 0.00 0.00 57.85 55.30 1wpk n ARG 49 Cb 0.12 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.55 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 3.45 0.00 -0.99 -0.14 0.28 -1.26 -4.95 120.64 117.02 1wpk n GLU 50 Ca 0.59 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.46 1wpk n GLU 50 Cb 0.36 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.44 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 -0.61 4.08 -4.29 -1.84 3.02 -1.16 -4.92 115.26 109.54 1wpk n ASN 51 Ca 0.00 -3.24 -0.25 0.00 -0.03 0.00 0.00 54.58 51.07 1wpk n ASN 51 Cb 0.00 -0.76 -0.13 0.00 -0.61 0.00 0.00 39.78 38.28 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 -2.78 1.77 0.38 2.41 0.11 -1.22 -3.48 120.40 117.58 1wpk s VAL 52 Ca 0.49 -1.53 0.08 0.00 -2.93 0.00 0.00 61.98 58.10 1wpk s VAL 52 Cb 0.40 -1.60 -0.07 0.00 -1.53 0.00 0.00 36.38 33.58 1wpk s VAL 52 CO 0.11 -0.01 -0.04 -0.55 -3.33 0.00 0.00 175.10 171.27 1wpk s SER 53 N -1.84 3.78 -0.06 3.54 0.15 0.16 -4.94 113.70 114.49 1wpk s SER 53 Ca 0.07 -1.28 -0.00 0.00 0.70 0.00 0.00 55.95 55.44 1wpk s SER 53 Cb -0.10 -0.37 0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1wpk s SER 53 CO 0.04 -0.33 -0.02 -0.36 1.20 0.00 0.00 173.24 173.77 1wpk s PHE 54 N -2.67 0.74 -0.02 3.44 0.40 -1.26 -1.12 117.98 117.49 1wpk s PHE 54 Ca 0.34 -0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.51 1wpk s PHE 54 Cb 0.06 -0.76 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 1wpk s PHE 54 CO 0.17 -0.28 -0.18 0.71 0.70 0.00 0.00 175.22 176.34 1wpk s TYR 55 N 1.48 1.65 0.19 0.36 2.02 0.13 -4.94 117.35 118.24 1wpk s TYR 55 Ca -0.02 -0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.23 1wpk s TYR 55 Cb -0.13 -1.07 0.11 0.00 -0.40 0.00 0.00 41.96 40.47 1wpk s TYR 55 CO -0.03 -0.05 1.80 0.00 -1.57 0.00 0.00 175.55 175.70 1wpk h ALA 56 N 5.76 0.86 -2.55 3.71 0.00 -1.86 0.91 119.26 126.09 1wpk h ALA 56 Ca -0.37 -0.12 -0.41 0.00 0.00 0.00 0.00 54.91 54.02 1wpk h ALA 56 Cb 1.15 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 1wpk h ALA 56 CO 0.48 0.39 -0.54 -0.80 0.00 0.00 0.00 179.25 178.77 1wpk s ASN 57 N -6.01 1.38 0.14 0.00 -0.87 -1.26 -4.32 114.94 104.00 1wpk s ASN 57 Ca -0.13 -1.60 -0.07 0.00 -1.57 0.00 0.00 52.86 49.49 1wpk s ASN 57 Cb 0.14 0.45 -0.06 0.00 -0.02 0.00 0.00 41.25 41.76 1wpk s ASN 57 CO 0.79 -0.94 1.36 0.00 -2.57 0.00 0.00 177.10 175.74 1wpk h ALA 58 N 2.24 0.43 -0.15 0.60 0.00 -1.98 -3.07 119.26 117.34 1wpk h ALA 58 Ca -0.31 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.02 1wpk h ALA 58 Cb 1.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1wpk h ALA 58 CO 0.47 0.73 0.11 0.66 0.00 0.00 0.00 179.25 181.22 1wpk h SER 59 N 0.39 0.03 0.05 0.00 4.64 -1.97 0.87 113.55 117.56 1wpk h SER 59 Ca -0.05 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1wpk h SER 59 Cb 1.39 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1wpk h SER 59 CO 0.15 0.02 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.77 1wpk h GLU 60 N 0.03 -0.07 -0.14 4.77 4.39 -1.96 -2.49 114.58 119.11 1wpk h GLU 60 Ca 0.07 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1wpk h GLU 60 Cb 0.24 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1wpk h GLU 60 CO -0.00 0.56 -0.28 0.00 -1.16 0.00 0.00 179.01 178.12 1wpk h ALA 61 N -0.05 0.22 -0.39 3.43 0.00 -1.40 -2.87 119.26 118.21 1wpk h ALA 61 Ca -0.01 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1wpk h ALA 61 Cb 0.65 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1wpk h ALA 61 CO 0.01 0.23 0.19 1.25 0.00 0.00 0.00 179.25 180.93 1wpk h LEU 62 N 0.04 0.26 -1.24 0.00 6.46 0.61 -2.05 115.31 119.41 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 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 1wpk h LEU 62 CO 0.06 0.19 0.53 0.00 -0.62 0.00 0.00 178.44 178.61 1wpk h ALA 63 N 1.21 1.50 0.00 1.25 0.00 -1.49 -0.05 119.26 121.69 1wpk h ALA 63 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wpk h ALA 63 Cb 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1wpk h ALA 63 CO -0.13 0.43 -0.02 0.00 0.00 0.00 0.00 179.25 179.53 1wpk h ALA 64 N 1.53 1.12 0.00 0.00 0.00 -1.14 -3.45 119.26 117.32 1wpk h ALA 64 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1wpk h ALA 64 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wpk h ALA 64 CO -0.09 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1wpk n GLY 65 N -0.83 0.61 2.88 0.00 0.00 -0.04 -5.11 105.19 102.69 1wpk n GLY 65 Ca -0.02 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.86 -0.05 -0.15 1.61 0.08 -1.16 -4.92 117.98 112.53 1wpk s PHE 66 Ca 0.00 0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.93 1wpk s PHE 66 Cb 0.00 -0.06 -0.01 0.00 -0.57 0.00 0.00 43.02 42.38 1wpk s PHE 66 CO 0.00 -0.06 1.05 0.50 -0.10 0.00 0.00 175.22 176.61 1wpk s ARG 67 N 0.44 4.35 0.43 0.44 3.00 0.23 -4.32 118.95 123.52 1wpk s ARG 67 Ca -0.03 1.42 -0.25 0.00 -1.00 0.00 0.00 55.73 55.86 1wpk s ARG 67 Cb -0.05 -3.59 -0.08 0.00 0.00 0.00 0.00 34.95 31.23 1wpk s ARG 67 CO -0.02 -0.46 1.27 -1.25 0.00 0.00 0.00 175.30 174.84 1wpk s PRO 68 N 2.54 3.84 -0.37 5.12 0.04 -1.26 -0.91 135.00 144.01 1wpk s PRO 68 Ca 0.48 2.06 -0.08 0.00 0.04 0.00 0.00 61.00 63.49 1wpk s PRO 68 Cb -0.18 -2.63 0.05 0.00 0.04 0.00 0.00 34.50 31.78 1wpk s PRO 68 CO 0.14 -0.56 0.17 0.00 0.04 0.00 0.00 177.00 176.79 1wpk n LYS 70 N 4.88 2.67 -0.21 0.00 4.01 -1.26 -3.14 118.16 125.12 1wpk n LYS 70 Ca -0.11 -2.03 0.05 0.00 -0.51 0.00 0.00 58.31 55.70 1wpk n LYS 70 Cb 0.44 -1.89 0.15 0.00 -0.51 0.00 0.00 35.03 33.23 1wpk n LYS 70 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1wpk n ARG 71 N -0.11 1.95 0.00 1.97 5.12 -1.26 -3.95 116.66 120.39 1wpk n ARG 71 Ca 0.29 -1.22 0.00 0.00 -1.93 0.00 0.00 57.85 55.00 1wpk n ARG 71 Cb 1.09 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.02 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wpk s GLN 73 N -1.81 0.13 -0.06 0.00 -2.07 -1.25 -4.76 119.66 109.84 1wpk s GLN 73 Ca 0.00 0.06 -0.03 0.00 -1.82 0.00 0.00 55.36 53.57 1wpk s GLN 73 Cb 0.00 0.04 -0.10 0.00 -1.09 0.00 0.00 33.01 31.86 1wpk s GLN 73 CO 0.00 -0.23 2.80 -0.35 -1.32 0.00 0.00 175.29 176.19 1wpk n PRO 74 N 4.66 1.62 -2.25 9.60 -0.04 -1.26 -4.87 135.00 142.46 1wpk n PRO 74 Ca 0.08 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1wpk n PRO 74 Cb 0.60 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.83 -4.86 -2.43 0.54 2.13 -1.26 -4.86 120.64 111.71 1wpk n GLU 75 Ca 0.25 3.49 -0.04 0.00 0.66 0.00 0.00 57.16 61.52 1wpk n GLU 75 Cb 0.70 -4.24 -0.03 0.00 0.27 0.00 0.00 31.44 28.14 1wpk n GLU 75 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wpk n LYS 76 N 1.90 -4.42 -4.65 5.31 5.02 -1.26 -5.07 118.16 114.98 1wpk n LYS 76 Ca 0.00 3.33 -0.29 0.00 -2.02 0.00 0.00 58.31 59.33 1wpk n LYS 76 Cb 0.00 -4.67 -0.09 0.00 -0.02 0.00 0.00 35.03 30.24 1wpk n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wpk s ALA 77 N -0.60 3.44 -0.12 7.82 0.00 -1.26 -5.07 121.76 125.98 1wpk s ALA 77 Ca -0.20 -1.48 0.18 0.00 0.00 0.00 0.00 51.96 50.46 1wpk s ALA 77 Cb 0.01 0.20 0.43 0.00 0.00 0.00 0.00 23.12 23.76 1wpk s ALA 77 CO 0.54 -0.11 1.19 0.09 0.00 0.00 0.00 175.76 177.47 1wpk n ASN 78 N -1.08 1.53 -4.65 0.00 3.02 -1.26 -4.98 115.26 107.84 1wpk n ASN 78 Ca -0.10 -2.92 -0.43 0.00 -0.03 0.00 0.00 54.58 51.10 1wpk n ASN 78 Cb 0.67 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 1wpk n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpk s ALA 79 N -1.78 3.55 -1.67 5.41 0.00 -1.26 -3.34 121.76 122.66 1wpk s ALA 79 Ca 0.36 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 1wpk s ALA 79 Cb 0.38 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1wpk s ALA 79 CO -0.11 -1.37 0.03 1.04 0.00 0.00 0.00 175.76 175.35 1wpk n GLN 80 N 6.75 -1.74 -3.06 0.00 6.02 -1.26 -4.95 117.38 119.14 1wpk n GLN 80 Ca 0.13 0.95 -0.41 0.00 -0.01 0.00 0.00 57.00 57.66 1wpk n GLN 80 Cb 0.46 -5.55 -0.06 0.00 1.02 0.00 0.00 30.24 26.12 1wpk n GLN 80 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1wpk s GLN 81 N -5.02 4.19 -0.14 -1.09 2.00 -1.21 -4.92 119.66 113.46 1wpk s GLN 81 Ca 0.02 0.68 0.21 0.00 -2.00 0.00 0.00 55.36 54.27 1wpk s GLN 81 Cb -0.01 -3.61 0.46 0.00 0.80 0.00 0.00 33.01 30.65 1wpk s GLN 81 CO 0.02 -0.34 1.16 0.72 -0.50 0.00 0.00 175.29 176.35 1wpk n HIS 82 N 5.39 0.70 0.08 1.67 8.25 -1.26 -4.84 115.22 125.20 1wpk n HIS 82 Ca 0.00 -1.35 -0.03 0.00 -0.26 0.00 0.00 57.72 56.08 1wpk n HIS 82 Cb 0.49 -0.21 0.18 0.00 1.12 0.00 0.00 29.99 31.57 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 1.65 0.28 0.07 -0.41 3.08 -1.99 0.24 114.38 117.29 1wpk h ARG 83 Ca -0.11 -0.15 -0.27 0.00 0.07 0.00 0.00 59.98 59.52 1wpk h ARG 83 Cb 1.54 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.57 1wpk h ARG 83 CO 0.18 0.69 -1.35 1.25 -1.07 0.00 0.00 179.97 179.67 1wpk h LEU 84 N 0.22 0.22 -0.28 3.04 7.12 -1.95 -3.08 115.31 120.61 1wpk h LEU 84 Ca 0.01 -0.28 -0.20 0.00 0.13 0.00 0.00 57.88 57.54 1wpk h LEU 84 Cb 0.91 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 1wpk h LEU 84 CO 0.07 1.23 -0.88 0.44 -0.13 0.00 0.00 178.44 179.18 1wpk h ASP 85 N 0.04 0.24 0.20 1.25 3.32 -1.89 -2.90 116.42 116.68 1wpk h ASP 85 Ca -0.16 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1wpk h ASP 85 Cb 1.93 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.41 1wpk h ASP 85 CO 0.15 1.00 -0.10 0.11 -1.72 0.00 0.00 179.24 178.68 1wpk h LYS 86 N 0.10 -0.26 -0.51 3.56 1.57 -1.05 -2.92 116.57 117.05 1wpk h LYS 86 Ca -0.04 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1wpk h LYS 86 Cb 1.51 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.85 1wpk h LYS 86 CO 0.13 0.11 0.34 -0.84 -0.57 0.00 0.00 179.45 178.63 1wpk h ILE 87 N -0.73 0.97 -0.85 1.86 -0.00 -1.64 -0.89 117.51 116.22 1wpk h ILE 87 Ca -0.03 -0.15 -0.02 0.00 -0.00 0.00 0.00 64.86 64.66 1wpk h ILE 87 Cb 0.50 0.49 -0.04 0.00 -0.00 0.00 0.00 36.82 37.77 1wpk h ILE 87 CO 0.05 0.08 0.44 0.74 -0.00 0.00 0.00 178.15 179.46 1wpk h THR 88 N 0.44 1.26 -0.05 0.16 2.02 -1.47 0.59 112.91 115.85 1wpk h THR 88 Ca 0.22 -0.67 -0.11 0.00 0.77 0.00 0.00 66.41 66.62 1wpk h THR 88 Cb 0.32 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1wpk h THR 88 CO -0.06 0.30 -0.47 -0.74 0.37 0.00 0.00 175.52 174.91 1wpk h HIS 89 N 1.21 0.14 -0.05 3.16 2.76 -0.99 -2.76 115.15 118.62 1wpk h HIS 89 Ca 0.30 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1wpk h HIS 89 Cb 0.07 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1wpk h HIS 89 CO 0.01 0.57 -0.29 0.00 -1.30 0.00 0.00 177.93 176.92 1wpk h ALA 90 N 1.42 0.11 -0.91 5.26 0.00 -0.78 -2.11 119.26 122.25 1wpk h ALA 90 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.54 1wpk h ALA 90 Cb 0.88 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1wpk h ALA 90 CO 0.07 0.15 0.58 0.00 0.00 0.00 0.00 179.25 180.04 1wpk h ARG 92 N 1.06 0.00 0.00 0.00 2.47 -1.54 -3.08 114.38 113.29 1wpk h ARG 92 Ca 0.39 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 59.02 1wpk h ARG 92 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1wpk h ARG 92 CO -0.17 0.45 -0.45 1.25 0.56 0.00 0.00 179.97 181.62 1wpk h LEU 93 N 0.00 0.00 0.05 3.04 6.46 -0.49 -3.22 115.31 121.15 1wpk h LEU 93 Ca -0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.65 1wpk h LEU 93 Cb 1.09 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.03 1wpk h LEU 93 CO 0.06 0.45 -0.45 -0.07 -0.62 0.00 0.00 178.44 177.81 1wpk h LEU 94 N 0.00 0.31 -7.24 2.25 3.38 -1.33 -3.39 115.31 109.29 1wpk h LEU 94 Ca -0.00 -0.89 -0.46 0.00 0.09 0.00 0.00 57.88 56.62 1wpk h LEU 94 Cb 0.88 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.56 1wpk h LEU 94 CO 0.06 1.16 1.46 -1.84 0.09 0.00 0.00 178.44 179.37 1wpk n GLU 95 N -4.35 1.08 0.00 1.13 0.28 -1.17 -4.14 120.64 113.47 1wpk n GLU 95 Ca -0.11 -1.87 0.00 0.00 -0.16 0.00 0.00 57.16 55.02 1wpk n GLU 95 Cb 0.64 -3.22 0.00 0.00 1.43 0.00 0.00 31.44 30.28 1wpk n GLU 95 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1wpk n GLN 96 N 7.72 0.67 -1.77 3.44 0.00 -1.26 -4.98 117.38 121.20 1wpk n GLN 96 Ca 0.47 -0.68 -0.13 0.00 -0.00 0.00 0.00 57.00 56.65 1wpk n GLN 96 Cb 0.43 -0.64 -0.04 0.00 0.00 0.00 0.00 30.24 29.99 1wpk n GLN 96 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1wpk n GLU 97 N -0.12 -1.61 -4.35 3.69 1.02 -1.26 -4.93 120.64 113.08 1wpk n GLU 97 Ca 0.00 0.73 -0.19 0.00 -0.02 0.00 0.00 57.16 57.68 1wpk n GLU 97 Cb 0.39 -5.11 -0.14 0.00 -0.02 0.00 0.00 31.44 26.56 1wpk n GLU 97 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wpk s THR 98 N -2.32 0.89 -0.58 2.62 2.01 -1.26 -5.08 115.64 111.92 1wpk s THR 98 Ca 0.00 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 1wpk s THR 98 Cb 0.00 -0.80 -0.11 0.00 0.01 0.00 0.00 72.50 71.60 1wpk s THR 98 CO 0.00 0.06 2.45 -2.65 -0.69 0.00 0.00 174.62 173.79 1wpk n PRO 99 N 2.28 0.84 -4.16 4.92 -0.02 -1.26 -4.93 135.00 132.68 1wpk n PRO 99 Ca -0.16 0.07 -0.36 0.00 -2.02 0.00 0.00 63.50 61.03 1wpk n PRO 99 Cb 0.56 -2.81 -0.08 0.00 -0.02 0.00 0.00 33.50 31.14 1wpk n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wpk s VAL 100 N 10.50 4.78 0.53 -1.45 1.01 -1.26 -5.11 120.40 129.41 1wpk s VAL 100 Ca 1.09 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 1wpk s VAL 100 Cb -0.55 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1wpk s VAL 100 CO 0.36 0.59 0.85 0.42 0.00 0.00 0.00 175.10 177.32 1wpk s THR 101 N -0.76 4.61 -0.03 3.92 -4.23 -1.26 -5.02 115.64 112.88 1wpk s THR 101 Ca 0.12 0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 60.67 1wpk s THR 101 Cb -0.12 -3.78 -0.18 0.00 1.34 0.00 0.00 72.50 69.76 1wpk s THR 101 CO 0.03 -0.82 1.14 -0.07 -0.54 0.00 0.00 174.62 174.35 1wpk h LEU 102 N 0.04 -0.13 -2.19 4.79 3.38 -2.01 -3.13 115.31 116.05 1wpk h LEU 102 Ca -0.46 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.13 1wpk h LEU 102 Cb 1.21 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1wpk h LEU 102 CO 0.62 0.35 0.03 1.05 0.09 0.00 0.00 178.44 180.58 1wpk h GLU 103 N -0.66 0.00 -0.34 1.13 4.11 -1.98 -2.15 114.58 114.69 1wpk h GLU 103 Ca -0.02 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.47 1wpk h GLU 103 Cb 0.51 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1wpk h GLU 103 CO 0.03 0.00 0.06 0.00 0.07 0.00 0.00 179.01 179.16 1wpk h ALA 104 N 1.97 0.35 -0.06 1.06 0.00 -1.95 0.54 119.26 121.18 1wpk h ALA 104 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1wpk h ALA 104 Cb 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wpk h ALA 104 CO -0.00 -0.35 -0.11 -0.07 0.00 0.00 0.00 179.25 178.72 1wpk h LEU 105 N 0.17 0.08 -0.99 0.00 4.07 -1.45 -0.02 115.31 117.16 1wpk h LEU 105 Ca 0.16 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.04 1wpk h LEU 105 Cb 0.19 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1wpk h LEU 105 CO -0.22 0.20 -0.36 0.00 -1.08 0.00 0.00 178.44 176.98 1wpk h ALA 106 N 1.81 1.02 -0.24 1.53 0.00 -0.45 -2.83 119.26 120.11 1wpk h ALA 106 Ca 0.02 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1wpk h ALA 106 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wpk h ALA 106 CO 0.02 0.44 -0.42 0.22 0.00 0.00 0.00 179.25 179.51 1wpk h ASP 107 N 0.00 0.61 0.24 0.00 1.82 0.19 0.13 116.42 119.42 1wpk h ASP 107 Ca -0.00 -0.28 -0.22 0.00 -0.39 0.00 0.00 57.03 56.13 1wpk h ASP 107 Cb 0.86 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1wpk h ASP 107 CO 0.05 0.96 -0.90 1.56 -1.61 0.00 0.00 179.24 179.30 1wpk h GLN 108 N 0.47 0.47 0.00 0.28 7.50 -1.37 -3.21 115.11 119.26 1wpk h GLN 108 Ca 0.04 -0.47 -0.04 0.00 0.50 0.00 0.00 58.65 58.67 1wpk h GLN 108 Cb 0.93 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.58 1wpk h GLN 108 CO 0.08 1.12 -0.36 -0.24 -1.50 0.00 0.00 178.83 177.93 1wpk h VAL 109 N 0.28 0.30 -4.65 -0.54 3.04 -1.45 -3.48 116.25 109.75 1wpk h VAL 109 Ca -0.07 -1.44 -0.28 0.00 -1.01 0.00 0.00 66.70 63.89 1wpk h VAL 109 Cb 1.52 2.08 0.11 0.00 -2.01 0.00 0.00 31.29 33.00 1wpk h VAL 109 CO 0.16 0.17 -0.53 0.00 -1.01 0.00 0.00 177.57 176.36 1wpk n ALA 110 N -2.17 -1.17 -2.80 3.17 0.00 0.43 -5.02 120.51 112.96 1wpk n ALA 110 Ca 0.02 0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 1wpk n ALA 110 Cb 0.62 -3.39 -0.05 0.00 0.00 0.00 0.00 19.45 16.62 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 -5.62 1.86 0.57 0.00 -1.94 -1.08 -5.06 119.30 108.02 1wpk s MET 111 Ca 0.28 -1.77 -0.12 0.00 -1.71 0.00 0.00 55.69 52.36 1wpk s MET 111 Cb -0.12 0.42 -0.05 0.00 2.01 0.00 0.00 34.83 37.09 1wpk s MET 111 CO 0.54 -0.76 0.98 -1.12 -0.01 0.00 0.00 175.02 174.66 1wpk s SER 112 N -3.25 6.35 0.67 3.03 0.01 -1.26 -4.73 113.70 114.51 1wpk s SER 112 Ca 0.32 1.39 0.32 0.00 1.31 0.00 0.00 55.95 59.29 1wpk s SER 112 Cb 0.00 -2.45 1.76 0.00 0.21 0.00 0.00 66.02 65.54 1wpk s SER 112 CO 0.21 -0.74 1.99 -0.65 0.41 0.00 0.00 173.24 174.46 1wpk h PRO 113 N 0.13 0.00 -0.11 12.44 0.11 -1.96 -0.67 132.00 141.94 1wpk h PRO 113 Ca -0.45 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.44 1wpk h PRO 113 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1wpk h PRO 113 CO 0.62 0.00 -0.77 0.74 -0.21 0.00 0.00 178.00 178.38 1wpk h PHE 114 N 0.00 0.99 -0.12 0.65 -1.00 -1.99 -2.50 116.94 112.96 1wpk h PHE 114 Ca 0.00 -0.46 -0.01 0.00 2.81 0.00 0.00 57.97 60.31 1wpk h PHE 114 Cb 0.57 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.98 1wpk h PHE 114 CO 0.00 1.28 0.02 0.45 -1.61 0.00 0.00 178.31 178.45 1wpk h HIS 115 N 0.41 0.21 -0.41 -0.55 3.86 -1.49 -1.80 115.15 115.37 1wpk h HIS 115 Ca -0.07 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1wpk h HIS 115 Cb 1.41 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.81 1wpk h HIS 115 CO 0.10 0.39 0.26 1.25 0.86 0.00 0.00 177.93 180.78 1wpk h LEU 116 N -0.03 0.48 0.25 2.43 6.46 -1.61 -0.23 115.31 123.05 1wpk h LEU 116 Ca 0.04 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1wpk h LEU 116 Cb 0.29 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1wpk h LEU 116 CO 0.00 0.38 -0.17 -0.74 -0.62 0.00 0.00 178.44 177.29 1wpk h HIS 117 N 0.54 -0.45 -0.34 1.25 2.76 -1.41 0.47 115.15 117.98 1wpk h HIS 117 Ca 0.15 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 1wpk h HIS 117 Cb -0.03 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 1wpk h HIS 117 CO -0.04 -0.27 0.17 -0.09 -1.30 0.00 0.00 177.93 176.40 1wpk h ARG 118 N -0.42 0.34 -0.14 5.26 9.65 -1.21 0.44 114.38 128.31 1wpk h ARG 118 Ca -0.02 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1wpk h ARG 118 Cb 0.36 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 1wpk h ARG 118 CO 0.01 0.23 0.05 1.25 2.80 0.00 0.00 179.97 184.30 1wpk h LEU 119 N 0.35 0.20 -0.12 3.80 5.85 -0.86 0.42 115.31 124.95 1wpk h LEU 119 Ca 0.14 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1wpk h LEU 119 Cb 0.05 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1wpk h LEU 119 CO -0.09 0.33 0.05 0.15 -0.34 0.00 0.00 178.44 178.53 1wpk h PHE 120 N 0.05 0.18 -0.22 1.25 3.57 0.15 0.10 116.94 122.03 1wpk h PHE 120 Ca 0.04 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1wpk h PHE 120 Cb 0.20 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1wpk h PHE 120 CO -0.01 0.27 -0.25 0.87 -2.23 0.00 0.00 178.31 176.96 1wpk h LYS 121 N 0.04 0.41 0.00 1.11 1.57 -0.09 0.15 116.57 119.76 1wpk h LYS 121 Ca 0.04 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1wpk h LYS 121 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1wpk h LYS 121 CO -0.00 0.64 -0.46 0.00 -0.57 0.00 0.00 179.45 179.05 1wpk h ALA 122 N 1.37 0.84 0.00 3.86 0.00 0.06 -1.83 119.26 123.57 1wpk h ALA 122 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1wpk h ALA 122 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wpk h ALA 122 CO 0.05 0.57 -0.30 2.41 0.00 0.00 0.00 179.25 181.98 1wpk n THR 123 N -3.41 0.84 0.03 0.00 -1.04 0.33 -4.72 114.28 106.31 1wpk n THR 123 Ca 0.01 0.33 -0.09 0.00 -2.04 0.00 0.00 64.05 62.26 1wpk n THR 123 Cb 0.61 -2.03 -0.07 0.00 -1.82 0.00 0.00 70.33 67.03 1wpk n THR 123 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1wpk h THR 124 N -0.59 0.75 0.00 12.58 1.35 -0.87 -3.49 112.91 122.64 1wpk h THR 124 Ca 0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1wpk h THR 124 Cb 0.30 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1wpk h THR 124 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1wpk n GLY 125 N 0.93 3.33 0.72 5.82 0.00 -0.69 -5.03 105.19 110.29 1wpk n GLY 125 Ca -0.07 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.86 1wpk n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wpk n MET 126 N 0.00 0.36 -4.09 1.61 0.00 -1.26 -4.81 117.12 108.92 1wpk n MET 126 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 57.70 56.99 1wpk n MET 126 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 33.22 33.02 1wpk n MET 126 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1wpk s THR 127 N -0.58 3.76 0.16 2.03 -4.23 -1.26 -4.43 115.64 111.08 1wpk s THR 127 Ca 0.13 -1.57 -0.17 0.00 -1.18 0.00 0.00 61.69 58.90 1wpk s THR 127 Cb -0.01 -3.15 0.05 0.00 1.34 0.00 0.00 72.50 70.73 1wpk s THR 127 CO 0.08 -0.29 1.70 -0.65 -0.54 0.00 0.00 174.62 174.92 1wpk h PRO 128 N 1.54 0.06 -0.10 3.99 0.11 -1.99 0.18 132.00 135.79 1wpk h PRO 128 Ca -0.46 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1wpk h PRO 128 Cb 1.25 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1wpk h PRO 128 CO 0.61 0.04 -0.19 1.57 -0.21 0.00 0.00 178.00 179.82 1wpk h LYS 129 N 0.06 0.16 -0.00 1.05 -0.00 -2.00 -2.05 116.57 113.80 1wpk h LYS 129 Ca 0.17 -0.04 -0.17 0.00 -0.00 0.00 0.00 60.65 60.61 1wpk h LYS 129 Cb 0.24 -0.02 -0.02 0.00 -0.00 0.00 0.00 32.23 32.43 1wpk h LYS 129 CO -0.31 0.36 -0.80 0.00 -0.00 0.00 0.00 179.45 178.69 1wpk h ALA 130 N 1.66 0.67 0.00 0.07 0.00 -1.64 -2.86 119.26 117.15 1wpk h ALA 130 Ca 0.03 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1wpk h ALA 130 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wpk h ALA 130 CO 0.03 0.98 -0.00 -1.49 0.00 0.00 0.00 179.25 178.77 1wpk h TRP 131 N 0.02 -0.00 -0.56 0.00 -0.00 -0.19 -0.82 115.95 114.40 1wpk h TRP 131 Ca -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.89 1wpk h TRP 131 Cb 1.42 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.55 1wpk h TRP 131 CO 0.00 0.60 0.37 0.37 -0.00 0.00 0.00 178.44 179.78 1wpk h GLN 132 N -0.60 0.70 -0.04 0.49 4.15 -1.47 0.12 115.11 118.46 1wpk h GLN 132 Ca -0.00 -0.04 -0.24 0.00 0.77 0.00 0.00 58.65 59.14 1wpk h GLN 132 Cb 0.60 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.14 1wpk h GLN 132 CO 0.00 0.47 -0.94 1.96 -1.93 0.00 0.00 178.83 178.39 1wpk h GLN 133 N 0.72 0.62 -0.30 1.69 7.50 -1.51 -2.53 115.11 121.29 1wpk h GLN 133 Ca 0.21 -0.61 -0.09 0.00 0.50 0.00 0.00 58.65 58.65 1wpk h GLN 133 Cb -0.04 0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 1wpk h GLN 133 CO -0.05 1.22 -0.17 0.00 -1.50 0.00 0.00 178.83 178.34 1wpk h ALA 134 N 0.57 0.43 -0.22 3.87 0.00 -0.52 -1.67 119.26 121.72 1wpk h ALA 134 Ca -0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1wpk h ALA 134 Cb 1.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1wpk h ALA 134 CO 0.18 0.34 0.08 2.35 0.00 0.00 0.00 179.25 182.20 1wpk h TRP 135 N 0.40 0.35 -0.63 0.00 7.01 -0.86 0.23 115.95 122.44 1wpk h TRP 135 Ca 0.06 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 1wpk h TRP 135 Cb 0.70 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.63 1wpk h TRP 135 CO 0.06 0.39 0.36 -0.09 -2.79 0.00 0.00 178.44 176.37 1wpk h ARG 136 N 0.20 0.86 -0.11 2.65 2.43 -1.46 0.29 114.38 119.24 1wpk h ARG 136 Ca 0.07 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1wpk h ARG 136 Cb 0.19 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1wpk h ARG 136 CO -0.01 0.64 -0.52 0.00 -1.51 0.00 0.00 179.97 178.58 1wpk h ALA 137 N 1.17 0.91 -0.00 2.80 0.00 -1.16 -2.65 119.26 120.34 1wpk h ALA 137 Ca 0.22 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1wpk h ALA 137 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wpk h ALA 137 CO -0.04 0.67 -0.85 0.00 0.00 0.00 0.00 179.25 179.04 1wpk h ARG 138 N 0.25 0.19 -0.14 0.00 3.08 -0.12 -2.56 114.38 115.08 1wpk h ARG 138 Ca 0.01 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 1wpk h ARG 138 Cb 1.00 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1wpk h ARG 138 CO 0.08 0.93 -0.44 -0.09 -1.07 0.00 0.00 179.97 179.38 1wpk h ARG 139 N 0.11 0.34 -0.01 0.04 9.65 -0.33 0.16 114.38 124.33 1wpk h ARG 139 Ca -0.04 -0.17 -0.26 0.00 -1.10 0.00 0.00 59.98 58.41 1wpk h ARG 139 Cb 1.46 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 30.07 1wpk h ARG 139 CO 0.13 0.72 -1.01 -0.07 2.80 0.00 0.00 179.97 182.54 1wpk h LEU 140 N 0.28 0.90 -0.66 3.80 3.38 -1.46 -3.23 115.31 118.32 1wpk h LEU 140 Ca 0.02 -0.73 -0.11 0.00 0.09 0.00 0.00 57.88 57.15 1wpk h LEU 140 Cb 0.89 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1wpk h LEU 140 CO 0.07 1.52 -0.52 0.03 0.09 0.00 0.00 178.44 179.63 1wpk h ARG 141 N 0.38 0.00 -1.15 1.13 3.08 -1.40 -3.16 114.38 113.27 1wpk h ARG 141 Ca -0.12 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.38 1wpk h ARG 141 Cb 1.66 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.47 1wpk h ARG 141 CO 0.20 0.52 0.71 0.39 -1.07 0.00 0.00 179.97 180.72 1wpk n GLU 142 N -3.53 2.36 -3.75 0.04 1.02 0.04 -4.89 120.64 111.92 1wpk n GLU 142 Ca -0.00 -2.71 -0.13 0.00 -0.02 0.00 0.00 57.16 54.30 1wpk n GLU 142 Cb 0.61 -2.06 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 1wpk n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wpk s SER 143 N -1.15 -0.28 -0.37 1.62 0.15 -1.19 -4.94 113.70 107.54 1wpk s SER 143 Ca 0.53 0.34 -0.09 0.00 0.70 0.00 0.00 55.95 57.43 1wpk s SER 143 Cb 0.42 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 65.22 1wpk s SER 143 CO 0.00 -0.34 0.33 -0.11 1.20 0.00 0.00 173.24 174.32 1wpk n LEU 144 N 1.83 -7.80 -4.69 3.45 0.00 -1.26 -4.94 117.00 103.59 1wpk n LEU 144 Ca -0.18 0.90 -0.35 0.00 0.00 0.00 0.00 56.01 56.37 1wpk n LEU 144 Cb 0.57 -3.31 0.09 0.00 0.00 0.00 0.00 43.42 40.77 1wpk n LEU 144 CO 0.19 -2.65 0.77 0.00 0.00 0.00 0.00 177.39 175.71 1wpk n ALA 145 N 0.12 0.42 -1.78 1.96 0.00 -1.26 -5.10 120.51 114.87 1wpk n ALA 145 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1wpk n ALA 145 Cb 0.25 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1wpk n ALA 145 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86