#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 2.28 -3.71 2.12 5.02 -1.26 -4.90 118.16 117.71 1wpk n LYS 2 Ca 0.00 -3.05 -0.38 0.00 -2.02 0.00 0.00 58.31 52.86 1wpk n LYS 2 Cb 0.00 -2.18 -0.12 0.00 -0.02 0.00 0.00 35.03 32.71 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 -3.36 3.33 -0.04 1.97 1.02 -1.26 -5.08 119.74 116.32 1wpk s LYS 3 Ca 0.57 -0.71 -0.20 0.00 0.02 0.00 0.00 55.97 55.66 1wpk s LYS 3 Cb 0.48 -3.45 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 1wpk s LYS 3 CO 0.09 -0.38 0.56 0.00 -0.92 0.00 0.00 175.35 174.70 1wpk s ALA 4 N 1.58 3.49 0.00 5.17 0.00 -1.26 -5.02 121.76 125.71 1wpk s ALA 4 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1wpk s ALA 4 Cb -0.17 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1wpk s ALA 4 CO 0.04 0.12 0.18 0.25 0.00 0.00 0.00 175.76 176.36 1wpk n THR 5 N 3.02 0.00 0.12 0.00 -2.24 -1.26 -5.00 114.28 108.92 1wpk n THR 5 Ca -0.07 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1wpk n THR 5 Cb 0.51 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -3.26 0.69 -3.75 0.00 7.99 -1.26 -4.68 117.00 112.73 1wpk n LEU 7 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 1wpk n LEU 7 Cb 0.00 -1.72 -0.03 0.00 -0.11 0.00 0.00 43.42 41.56 1wpk n LEU 7 CO 0.00 -0.63 0.40 0.28 -1.51 0.00 0.00 177.39 175.94 1wpk s THR 8 N -1.43 0.00 0.19 -5.08 -1.32 -1.26 -5.04 115.64 101.71 1wpk s THR 8 Ca 0.00 -0.77 -0.02 0.00 -1.21 0.00 0.00 61.69 59.69 1wpk s THR 8 Cb 0.00 -1.72 -0.06 0.00 -1.51 0.00 0.00 72.50 69.21 1wpk s THR 8 CO 0.00 -0.02 1.49 0.44 -2.21 0.00 0.00 174.62 174.32 1wpk h ASP 9 N 2.05 0.55 -0.16 8.08 5.19 -1.98 -0.72 116.42 129.42 1wpk h ASP 9 Ca -0.24 -0.31 -0.11 0.00 -0.62 0.00 0.00 57.03 55.74 1wpk h ASP 9 Cb 1.27 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1wpk h ASP 9 CO 0.30 1.02 -0.34 -0.78 -3.12 0.00 0.00 179.24 176.31 1wpk h ASP 10 N 0.36 0.58 -0.11 6.45 1.82 -1.96 -1.40 116.42 122.16 1wpk h ASP 10 Ca -0.00 -0.56 -0.17 0.00 -0.39 0.00 0.00 57.03 55.91 1wpk h ASP 10 Cb 1.14 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.98 1wpk h ASP 10 CO 0.11 1.03 -0.53 -0.61 -1.61 0.00 0.00 179.24 177.63 1wpk h GLN 11 N 0.16 0.69 -0.02 0.28 4.15 -1.84 -2.49 115.11 116.04 1wpk h GLN 11 Ca 0.00 -0.43 -0.00 0.00 0.77 0.00 0.00 58.65 59.00 1wpk h GLN 11 Cb 0.94 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.67 1wpk h GLN 11 CO 0.08 1.05 0.00 -0.09 -1.93 0.00 0.00 178.83 177.93 1wpk h ARG 12 N 0.53 0.03 0.00 1.69 2.43 -1.16 -2.39 114.38 115.52 1wpk h ARG 12 Ca 0.02 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1wpk h ARG 12 Cb 1.10 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1wpk h ARG 12 CO 0.11 0.27 -0.01 2.35 -1.51 0.00 0.00 179.97 181.18 1wpk h TRP 13 N -0.22 0.00 0.24 2.20 -0.00 -1.26 -2.82 115.95 114.09 1wpk h TRP 13 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 1wpk h TRP 13 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.42 1wpk h TRP 13 CO 0.01 0.01 -0.12 1.96 -0.00 0.00 0.00 178.44 180.30 1wpk h GLN 14 N 0.00 -0.31 -0.52 2.65 1.08 -0.95 -0.99 115.11 116.07 1wpk h GLN 14 Ca -0.00 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1wpk h GLN 14 Cb 0.05 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.48 1wpk h GLN 14 CO 0.00 0.06 0.12 0.77 -0.95 0.00 0.00 178.83 178.83 1wpk h SER 15 N -0.85 0.04 -0.05 1.46 0.02 -1.29 0.54 113.55 113.42 1wpk h SER 15 Ca -0.03 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1wpk h SER 15 Cb 0.51 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1wpk h SER 15 CO 0.05 0.05 -0.18 1.62 -1.14 0.00 0.00 176.83 177.23 1wpk h VAL 16 N 0.26 1.24 -0.16 2.27 3.04 -1.61 -2.56 116.25 118.73 1wpk h VAL 16 Ca 0.26 -1.08 -0.18 0.00 -1.01 0.00 0.00 66.70 64.69 1wpk h VAL 16 Cb 0.34 1.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1wpk h VAL 16 CO -0.32 0.35 -0.63 -0.07 -1.01 0.00 0.00 177.57 175.88 1wpk h LEU 17 N 0.38 0.66 -1.58 3.16 3.38 0.33 -2.86 115.31 118.78 1wpk h LEU 17 Ca 0.07 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1wpk h LEU 17 Cb 0.54 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wpk h LEU 17 CO 0.04 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.69 1wpk h ALA 18 N 0.87 1.00 -1.18 1.53 0.00 0.33 -3.46 119.26 118.35 1wpk h ALA 18 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1wpk h ALA 18 Cb 1.20 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1wpk h ALA 18 CO 0.12 0.00 -0.32 0.54 0.00 0.00 0.00 179.25 179.59 1wpk n ARG 19 N -2.91 -1.12 -1.56 0.00 1.74 -0.99 -4.90 116.66 106.92 1wpk n ARG 19 Ca 0.00 0.95 -0.44 0.00 -0.77 0.00 0.00 57.85 57.60 1wpk n ARG 19 Cb 0.24 -5.17 -0.04 0.00 -1.02 0.00 0.00 32.46 26.48 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 -0.63 2.84 0.01 0.55 2.03 -1.23 -4.81 116.55 115.32 1wpk n ASP 20 Ca -0.16 0.16 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1wpk n ASP 20 Cb 0.55 -1.48 0.33 0.00 -0.72 0.00 0.00 41.12 39.79 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 8.67 0.01 -0.95 -0.67 -0.04 -1.26 -2.56 135.00 138.20 1wpk n PRO 21 Ca 0.34 0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 63.92 1wpk n PRO 21 Cb 0.40 -1.52 0.20 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.54 4.01 -2.04 3.54 5.15 -1.26 -4.39 115.26 118.72 1wpk n ASN 22 Ca 0.04 -3.19 -0.19 0.00 -0.60 0.00 0.00 54.58 50.64 1wpk n ASN 22 Cb 0.18 -0.75 0.16 0.00 -0.53 0.00 0.00 39.78 38.84 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wpk n ALA 23 N -0.48 5.10 -1.55 5.20 0.00 -1.06 -4.92 120.51 122.80 1wpk n ALA 23 Ca 0.43 -2.45 -0.16 0.00 0.00 0.00 0.00 53.44 51.25 1wpk n ALA 23 Cb 1.36 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.85 1.13 0.00 0.00 9.92 -1.26 0.75 116.55 126.24 1wpk n ASP 24 Ca 0.50 -1.23 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 1wpk n ASP 24 Cb 1.49 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 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 6.50 0.86 0.00 0.44 0.00 -1.26 -5.07 105.19 106.66 1wpk n GLY 25 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.62 1.61 -0.58 0.23 -5.00 120.64 113.28 1wpk n GLU 26 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1wpk n GLU 26 Cb 0.00 -0.70 -0.07 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.46 -0.47 0.05 -0.32 -0.12 -1.20 -4.87 117.98 110.60 1wpk s PHE 27 Ca 0.00 1.07 -0.19 0.00 -0.05 0.00 0.00 56.93 57.76 1wpk s PHE 27 Cb 0.00 0.38 -0.06 0.00 -0.63 0.00 0.00 43.02 42.71 1wpk s PHE 27 CO 0.00 -0.27 0.56 0.08 -0.05 0.00 0.00 175.22 175.54 1wpk s VAL 28 N -0.10 4.80 -0.32 -2.49 1.01 0.34 -3.70 120.40 119.95 1wpk s VAL 28 Ca 0.02 1.18 -0.08 0.00 0.00 0.00 0.00 61.98 63.09 1wpk s VAL 28 Cb -0.04 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1wpk s VAL 28 CO -0.04 0.53 0.12 -0.36 0.00 0.00 0.00 175.10 175.35 1wpk s PHE 29 N -0.92 3.18 -0.12 5.22 0.40 -1.26 0.13 117.98 124.61 1wpk s PHE 29 Ca 0.29 -0.90 -0.22 0.00 -0.60 0.00 0.00 56.93 55.50 1wpk s PHE 29 Cb -0.19 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.00 1wpk s PHE 29 CO 0.18 -0.57 0.64 0.00 0.70 0.00 0.00 175.22 176.18 1wpk s ALA 30 N 1.53 3.44 -0.26 5.36 0.00 0.26 -4.00 121.76 128.08 1wpk s ALA 30 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 1wpk s ALA 30 Cb -0.18 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 1wpk s ALA 30 CO 0.04 -0.25 0.17 0.08 0.00 0.00 0.00 175.76 175.80 1wpk s VAL 31 N 1.19 5.22 0.06 0.00 1.01 0.36 0.11 120.40 128.35 1wpk s VAL 31 Ca 0.33 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.50 1wpk s VAL 31 Cb -0.17 -3.47 -0.23 0.00 0.00 0.00 0.00 36.38 32.52 1wpk s VAL 31 CO 0.14 0.29 1.07 0.03 0.00 0.00 0.00 175.10 176.62 1wpk h ARG 32 N 8.11 0.06 -0.33 2.72 -0.00 -1.86 1.13 114.38 124.20 1wpk h ARG 32 Ca -0.36 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.98 58.95 1wpk h ARG 32 Cb 1.18 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 31.17 1wpk h ARG 32 CO 0.58 0.91 -0.12 1.79 0.00 0.00 0.00 179.97 183.14 1wpk h THR 33 N 0.02 1.24 0.00 2.04 1.35 -1.93 -3.30 112.91 112.32 1wpk h THR 33 Ca -0.12 -1.06 -0.19 0.00 -0.55 0.00 0.00 66.41 64.50 1wpk h THR 33 Cb 1.88 1.12 -0.04 0.00 -1.73 0.00 0.00 68.15 69.38 1wpk h THR 33 CO 0.13 0.35 -1.71 0.41 -0.25 0.00 0.00 175.52 174.45 1wpk n THR 34 N -4.19 0.71 -1.31 6.82 -1.04 -1.25 -5.04 114.28 108.98 1wpk n THR 34 Ca 0.01 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1wpk n THR 34 Cb 0.33 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 1wpk n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wpk n GLY 35 N 2.45 1.01 3.77 3.41 0.00 0.38 -4.94 105.19 111.27 1wpk n GLY 35 Ca -0.18 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.25 1.24 0.25 -0.61 -4.36 -0.88 -0.16 121.20 114.44 1wpk s ILE 36 Ca 0.00 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.47 1wpk s ILE 36 Cb 0.00 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 1wpk s ILE 36 CO 0.00 0.00 0.27 2.22 0.24 0.00 0.00 174.94 177.67 1wpk n PHE 37 N -1.31 -0.82 -2.74 1.37 1.16 0.42 0.14 117.46 115.68 1wpk n PHE 37 Ca -0.17 -1.95 -0.21 0.00 -1.87 0.00 0.00 57.45 53.25 1wpk n PHE 37 Cb 0.67 0.29 0.05 0.00 -1.61 0.00 0.00 39.48 38.88 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 -2.85 2.38 0.24 3.97 1.81 -1.18 -1.18 118.95 122.14 1wpk s ARG 39 Ca 0.27 -1.03 -0.07 0.00 -1.72 0.00 0.00 55.73 53.18 1wpk s ARG 39 Cb 0.01 -2.52 0.41 0.00 -0.45 0.00 0.00 34.95 32.40 1wpk s ARG 39 CO 0.19 -0.81 1.66 -1.35 -0.68 0.00 0.00 175.30 174.31 1wpk h PRO 40 N 0.06 0.17 0.00 3.54 0.11 -1.76 -3.39 132.00 130.72 1wpk h PRO 40 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1wpk h PRO 40 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wpk h PRO 40 CO 0.47 0.11 0.00 0.43 -0.21 0.00 0.00 178.00 178.80 1wpk n SER 41 N -5.25 0.00 -1.33 -2.05 7.64 -1.25 -3.20 113.62 108.18 1wpk n SER 41 Ca 0.13 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.15 1wpk n SER 41 Cb 0.44 0.00 -0.08 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 -4.11 0.06 -2.63 0.00 0.00 -1.26 -4.68 116.66 104.04 1wpk n ARG 43 Ca -0.08 -0.64 -0.41 0.00 -0.00 0.00 0.00 57.85 56.72 1wpk n ARG 43 Cb 0.58 0.48 -0.05 0.00 -0.00 0.00 0.00 32.46 33.48 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 0.01 3.33 -0.57 2.89 0.00 -1.26 -4.94 121.76 121.22 1wpk s ALA 44 Ca 0.00 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.41 1wpk s ALA 44 Cb 0.02 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1wpk s ALA 44 CO -0.01 -0.05 2.20 1.03 0.00 0.00 0.00 175.76 178.94 1wpk s ARG 45 N -0.61 2.27 -0.29 0.00 0.52 -1.26 -4.86 118.95 114.72 1wpk s ARG 45 Ca 0.46 1.01 -0.23 0.00 -0.52 0.00 0.00 55.73 56.45 1wpk s ARG 45 Cb -0.27 -4.54 0.14 0.00 0.52 0.00 0.00 34.95 30.79 1wpk s ARG 45 CO 0.34 -3.16 1.09 -1.58 0.02 0.00 0.00 175.30 172.01 1wpk s HIS 46 N 11.17 -0.42 0.05 -0.53 2.46 -1.26 -5.11 115.29 121.65 1wpk s HIS 46 Ca 0.85 0.98 0.00 0.00 0.47 0.00 0.00 55.06 57.36 1wpk s HIS 46 Cb -0.15 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.67 1wpk s HIS 46 CO 0.22 -0.20 0.00 0.00 -2.47 0.00 0.00 174.74 172.29 1wpk n ALA 47 N 2.39 -2.23 -0.83 1.58 0.00 -1.26 -5.00 120.51 115.16 1wpk n ALA 47 Ca -0.13 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 1wpk n ALA 47 Cb 0.56 -1.18 0.26 0.00 0.00 0.00 0.00 19.45 19.10 1wpk n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wpk s LEU 48 N -0.45 -0.01 0.49 0.00 1.43 -1.26 -4.68 118.68 114.20 1wpk s LEU 48 Ca 0.00 0.66 0.33 0.00 -1.03 0.00 0.00 54.13 54.10 1wpk s LEU 48 Cb 0.00 -2.25 1.72 0.00 0.03 0.00 0.00 46.19 45.69 1wpk s LEU 48 CO 0.00 -4.65 2.02 -0.09 0.23 0.00 0.00 176.35 173.86 1wpk h ARG 49 N -2.94 0.00 0.00 1.70 2.43 -1.95 -2.34 114.38 111.28 1wpk h ARG 49 Ca -0.43 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.45 1wpk h ARG 49 Cb 1.31 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.80 1wpk h ARG 49 CO 0.30 0.00 -2.14 0.39 -1.51 0.00 0.00 179.97 177.01 1wpk n GLU 50 N -2.73 1.21 -1.08 0.20 -0.58 -1.26 -4.44 120.64 111.95 1wpk n GLU 50 Ca -0.01 -0.02 -0.24 0.00 -0.42 0.00 0.00 57.16 56.47 1wpk n GLU 50 Cb 0.11 -1.43 0.10 0.00 -0.57 0.00 0.00 31.44 29.65 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 -2.59 5.69 -3.95 1.62 3.02 -0.91 -4.89 115.26 113.25 1wpk n ASN 51 Ca -0.26 -3.41 -0.16 0.00 -0.03 0.00 0.00 54.58 50.72 1wpk n ASN 51 Cb 1.02 -0.91 -0.14 0.00 -0.61 0.00 0.00 39.78 39.13 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 -3.33 0.38 0.12 2.41 0.11 -1.05 -4.12 120.40 114.92 1wpk s VAL 52 Ca 0.49 -0.20 0.05 0.00 -2.93 0.00 0.00 61.98 59.39 1wpk s VAL 52 Cb 0.40 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.88 1wpk s VAL 52 CO 0.03 0.11 0.06 -0.44 -3.33 0.00 0.00 175.10 171.53 1wpk s SER 53 N -0.09 5.24 0.09 3.54 0.01 0.30 -4.92 113.70 117.86 1wpk s SER 53 Ca 0.02 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.15 1wpk s SER 53 Cb -0.02 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 1wpk s SER 53 CO -0.00 0.13 0.03 -0.36 0.41 0.00 0.00 173.24 173.44 1wpk s PHE 54 N -1.53 3.06 0.17 2.43 0.08 -1.26 0.88 117.98 121.81 1wpk s PHE 54 Ca 0.28 0.01 -0.14 0.00 0.12 0.00 0.00 56.93 57.20 1wpk s PHE 54 Cb -0.11 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 1wpk s PHE 54 CO 0.21 0.49 0.42 0.71 -0.10 0.00 0.00 175.22 176.95 1wpk s TYR 55 N -1.33 0.04 -0.21 0.36 2.02 0.34 -4.81 117.35 113.75 1wpk s TYR 55 Ca 0.27 -0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 56.50 1wpk s TYR 55 Cb -0.12 0.22 -0.19 0.00 -0.40 0.00 0.00 41.96 41.47 1wpk s TYR 55 CO 0.19 -0.82 -0.01 0.00 -1.57 0.00 0.00 175.55 173.35 1wpk n ALA 56 N -0.28 1.11 -2.40 3.71 0.00 -1.26 0.13 120.51 121.52 1wpk n ALA 56 Ca -0.10 -0.85 -0.23 0.00 0.00 0.00 0.00 53.44 52.26 1wpk n ALA 56 Cb 0.63 -0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 1wpk n ALA 56 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wpk s ASN 57 N -6.94 2.24 0.10 0.00 -0.87 -1.26 -4.25 114.94 103.96 1wpk s ASN 57 Ca -0.31 -1.73 -0.06 0.00 -1.57 0.00 0.00 52.86 49.19 1wpk s ASN 57 Cb 0.09 0.56 -0.19 0.00 -0.02 0.00 0.00 41.25 41.68 1wpk s ASN 57 CO 0.63 -1.01 1.21 0.00 -2.57 0.00 0.00 177.10 175.36 1wpk h ALA 58 N 1.95 0.21 -0.24 0.60 0.00 -1.98 -3.06 119.26 116.74 1wpk h ALA 58 Ca -0.30 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 53.81 1wpk h ALA 58 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1wpk h ALA 58 CO 0.46 0.86 0.09 0.66 0.00 0.00 0.00 179.25 181.32 1wpk h SER 59 N 0.17 0.29 0.06 0.00 4.64 -1.97 0.87 113.55 117.60 1wpk h SER 59 Ca -0.12 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1wpk h SER 59 Cb 1.78 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1wpk h SER 59 CO 0.19 0.27 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.07 1wpk h GLU 60 N 0.33 -0.07 -0.41 4.77 4.39 -1.98 -1.56 114.58 120.04 1wpk h GLU 60 Ca 0.08 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 1wpk h GLU 60 Cb 0.08 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1wpk h GLU 60 CO -0.01 0.54 -0.31 0.00 -1.16 0.00 0.00 179.01 178.07 1wpk h ALA 61 N -0.08 0.60 -0.28 3.43 0.00 -1.42 -2.71 119.26 118.79 1wpk h ALA 61 Ca -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1wpk h ALA 61 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wpk h ALA 61 CO 0.01 0.65 0.05 1.25 0.00 0.00 0.00 179.25 181.21 1wpk h LEU 62 N 0.77 0.44 -2.30 0.00 6.46 0.64 -2.55 115.31 118.77 1wpk h LEU 62 Ca 0.08 -0.25 0.01 0.00 -0.12 0.00 0.00 57.88 57.60 1wpk h LEU 62 Cb 0.90 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1wpk h LEU 62 CO 0.08 0.58 0.04 0.00 -0.62 0.00 0.00 178.44 178.53 1wpk h ALA 63 N 0.87 1.72 -0.09 1.25 0.00 -1.26 0.86 119.26 122.62 1wpk h ALA 63 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wpk h ALA 63 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wpk h ALA 63 CO 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1wpk n ALA 64 N -2.39 2.52 -0.95 0.00 0.00 -0.96 -4.89 120.51 113.84 1wpk n ALA 64 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1wpk n ALA 64 Cb 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1wpk n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wpk n GLY 65 N 0.77 0.24 3.30 0.00 0.00 0.28 -5.08 105.19 104.69 1wpk n GLY 65 Ca 0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.64 -0.51 0.38 1.61 0.40 -1.13 -4.86 117.98 111.23 1wpk s PHE 66 Ca 0.00 1.18 -0.24 0.00 -0.60 0.00 0.00 56.93 57.27 1wpk s PHE 66 Cb 0.00 0.20 -0.10 0.00 0.51 0.00 0.00 43.02 43.63 1wpk s PHE 66 CO 0.00 -0.27 0.96 1.03 0.70 0.00 0.00 175.22 177.65 1wpk s ARG 67 N 0.65 4.39 0.43 0.44 0.52 0.78 -4.34 118.95 121.82 1wpk s ARG 67 Ca -0.03 1.27 -0.21 0.00 -0.52 0.00 0.00 55.73 56.24 1wpk s ARG 67 Cb -0.05 -2.52 -0.11 0.00 0.52 0.00 0.00 34.95 32.79 1wpk s ARG 67 CO -0.04 0.10 0.96 -1.25 0.02 0.00 0.00 175.30 175.09 1wpk s PRO 68 N -2.55 4.19 -0.24 3.54 0.04 -1.26 0.16 135.00 138.88 1wpk s PRO 68 Ca 0.56 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1wpk s PRO 68 Cb -0.15 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 32.25 1wpk s PRO 68 CO 0.20 -0.07 0.02 0.00 0.04 0.00 0.00 177.00 177.19 1wpk n LYS 70 N 4.86 1.28 -0.96 0.00 5.02 -1.26 -3.13 118.16 123.98 1wpk n LYS 70 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1wpk n LYS 70 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 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 -0.38 -0.31 -0.71 1.97 0.63 -1.26 -4.83 116.66 111.77 1wpk n ARG 71 Ca 0.00 0.08 0.06 0.00 -0.92 0.00 0.00 57.85 57.07 1wpk n ARG 71 Cb 0.00 -3.31 0.15 0.00 0.45 0.00 0.00 32.46 29.75 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wpk n GLN 73 N -0.77 -3.27 0.00 0.00 3.00 -1.26 -3.11 117.38 111.97 1wpk n GLN 73 Ca 0.15 2.64 0.00 0.00 -0.01 0.00 0.00 57.00 59.78 1wpk n GLN 73 Cb 0.78 -5.07 0.00 0.00 0.00 0.00 0.00 30.24 25.95 1wpk n GLN 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1wpk n PRO 74 N 0.66 -0.04 -3.17 -1.09 -0.04 -1.26 -4.39 135.00 125.68 1wpk n PRO 74 Ca -0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1wpk n PRO 74 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 1wpk n PRO 74 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wpk s GLU 75 N -2.41 3.10 -0.18 0.54 2.12 -1.26 -4.85 118.70 115.76 1wpk s GLU 75 Ca 0.00 -0.66 -0.11 0.00 0.36 0.00 0.00 54.97 54.56 1wpk s GLU 75 Cb 0.00 -2.65 0.04 0.00 0.26 0.00 0.00 34.13 31.78 1wpk s GLU 75 CO 0.00 -0.14 0.22 1.63 -0.54 0.00 0.00 175.26 176.43 1wpk n LYS 76 N -1.92 -4.25 -0.01 4.30 4.76 -1.26 -4.96 118.16 114.82 1wpk n LYS 76 Ca 0.01 3.24 -0.13 0.00 -2.87 0.00 0.00 58.31 58.56 1wpk n LYS 76 Cb 0.58 -4.84 -0.10 0.00 -1.84 0.00 0.00 35.03 28.83 1wpk n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wpk h ALA 77 N 3.75 -0.06 -2.82 7.82 0.00 -2.04 -3.43 119.26 122.48 1wpk h ALA 77 Ca -0.50 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 53.53 1wpk h ALA 77 Cb 1.13 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1wpk h ALA 77 CO 0.02 -0.19 -0.04 -0.80 0.00 0.00 0.00 179.25 178.23 1wpk s ASN 78 N -5.78 6.80 -0.01 0.00 0.01 -1.26 -4.98 114.94 109.72 1wpk s ASN 78 Ca -0.16 0.96 -0.02 0.00 -0.71 0.00 0.00 52.86 52.94 1wpk s ASN 78 Cb 0.00 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 1wpk s ASN 78 CO 0.62 -0.05 -0.04 0.00 -1.51 0.00 0.00 177.10 176.12 1wpk n ALA 79 N 3.76 1.29 -2.73 0.60 0.00 -1.26 -4.92 120.51 117.24 1wpk n ALA 79 Ca -0.05 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1wpk n ALA 79 Cb 0.51 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1wpk n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wpk s GLN 80 N -1.27 3.23 0.00 0.00 -1.52 -1.26 -4.39 119.66 114.45 1wpk s GLN 80 Ca -0.03 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 52.86 1wpk s GLN 80 Cb 0.00 -4.13 0.00 0.00 -0.22 0.00 0.00 33.01 28.67 1wpk s GLN 80 CO 0.04 -1.62 0.00 0.00 -0.25 0.00 0.00 175.29 173.46 1wpk n GLN 81 N 7.55 0.00 0.03 2.91 -0.00 -1.26 -4.96 117.38 121.66 1wpk n GLN 81 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.00 56.85 1wpk n GLN 81 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.68 1wpk n GLN 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1wpk h HIS 82 N 0.00 0.76 -0.57 2.61 2.76 -1.96 -2.76 115.15 116.00 1wpk h HIS 82 Ca 0.00 -0.36 -0.03 0.00 -2.20 0.00 0.00 60.37 57.78 1wpk h HIS 82 Cb 0.00 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 1wpk h HIS 82 CO 0.00 1.16 0.23 0.00 -1.30 0.00 0.00 177.93 178.02 1wpk h ARG 83 N 0.36 0.84 0.00 5.26 3.08 -1.93 -2.36 114.38 119.63 1wpk h ARG 83 Ca -0.05 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 1wpk h ARG 83 Cb 1.42 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 1wpk h ARG 83 CO 0.15 0.72 -0.37 1.25 -1.07 0.00 0.00 179.97 180.64 1wpk h LEU 84 N 0.77 0.00 -0.94 3.04 6.46 -1.93 -2.71 115.31 120.01 1wpk h LEU 84 Ca 0.19 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.84 1wpk h LEU 84 Cb 0.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1wpk h LEU 84 CO -0.02 0.37 -0.41 -0.78 -0.62 0.00 0.00 178.44 176.99 1wpk h ASP 85 N 0.00 0.25 0.35 1.25 1.82 -1.13 -2.08 116.42 116.88 1wpk h ASP 85 Ca -0.00 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1wpk h ASP 85 Cb 0.71 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1wpk h ASP 85 CO 0.05 0.64 -0.17 0.11 -1.61 0.00 0.00 179.24 178.26 1wpk h LYS 86 N 0.20 -0.45 -0.80 0.28 1.57 -1.13 -2.59 116.57 113.65 1wpk h LYS 86 Ca 0.02 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1wpk h LYS 86 Cb 0.82 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 1wpk h LYS 86 CO 0.06 -0.15 0.52 -0.84 -0.57 0.00 0.00 179.45 178.48 1wpk h ILE 87 N -0.98 0.99 -0.83 1.86 -0.00 -1.57 -0.51 117.51 116.47 1wpk h ILE 87 Ca -0.05 -0.27 -0.03 0.00 -0.00 0.00 0.00 64.86 64.51 1wpk h ILE 87 Cb 0.51 0.12 -0.04 0.00 -0.00 0.00 0.00 36.82 37.42 1wpk h ILE 87 CO 0.08 0.15 0.42 0.74 -0.00 0.00 0.00 178.15 179.54 1wpk h THR 88 N 0.80 1.25 -0.08 0.16 2.02 -1.41 0.20 112.91 115.85 1wpk h THR 88 Ca 0.36 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 66.74 1wpk h THR 88 Cb 0.35 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1wpk h THR 88 CO -0.13 0.30 -0.47 -0.74 0.37 0.00 0.00 175.52 174.85 1wpk h HIS 89 N 1.17 0.23 -0.12 3.16 2.76 -0.74 -3.01 115.15 118.61 1wpk h HIS 89 Ca 0.29 -0.07 -0.21 0.00 -2.20 0.00 0.00 60.37 58.18 1wpk h HIS 89 Cb 0.09 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 29.01 1wpk h HIS 89 CO 0.01 0.63 -0.74 0.00 -1.30 0.00 0.00 177.93 176.53 1wpk h ALA 90 N 1.36 0.25 0.00 5.26 0.00 -0.40 -2.67 119.26 123.05 1wpk h ALA 90 Ca 0.01 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.36 1wpk h ALA 90 Cb 0.89 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1wpk h ALA 90 CO 0.07 0.59 -0.16 0.00 0.00 0.00 0.00 179.25 179.75 1wpk h ARG 92 N -0.27 0.00 -0.26 0.00 0.11 -1.62 -2.88 114.38 109.46 1wpk h ARG 92 Ca 0.05 -0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.03 1wpk h ARG 92 Cb 0.33 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 1wpk h ARG 92 CO -0.16 0.31 -0.24 1.25 0.10 0.00 0.00 179.97 181.24 1wpk h LEU 93 N 0.00 0.66 -4.07 0.08 5.85 -0.99 -3.16 115.31 113.68 1wpk h LEU 93 Ca -0.00 -0.46 -0.57 0.00 0.84 0.00 0.00 57.88 57.68 1wpk h LEU 93 Cb 0.54 -0.19 -0.23 0.00 0.37 0.00 0.00 40.66 41.16 1wpk h LEU 93 CO 0.04 0.99 0.72 -0.11 -0.34 0.00 0.00 178.44 179.74 1wpk n LEU 94 N -4.34 7.20 -2.17 2.25 0.00 0.28 -4.53 117.00 115.68 1wpk n LEU 94 Ca -0.04 -4.08 -0.24 0.00 0.00 0.00 0.00 56.01 51.65 1wpk n LEU 94 Cb 0.43 -1.05 0.16 0.00 0.00 0.00 0.00 43.42 42.97 1wpk n LEU 94 CO 0.43 1.48 1.27 1.21 0.00 0.00 0.00 177.39 181.78 1wpk n GLU 95 N -0.30 2.22 -4.03 1.96 4.07 -1.14 -4.95 120.64 118.48 1wpk n GLU 95 Ca 0.51 -2.86 -0.31 0.00 -0.06 0.00 0.00 57.16 54.44 1wpk n GLU 95 Cb 0.56 -2.12 -0.06 0.00 -0.06 0.00 0.00 31.44 29.75 1wpk n GLU 95 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1wpk s GLN 96 N -3.16 2.98 0.38 5.31 -0.21 -1.26 -5.01 119.66 118.68 1wpk s GLN 96 Ca 0.55 -0.64 0.10 0.00 0.02 0.00 0.00 55.36 55.39 1wpk s GLN 96 Cb 0.46 -2.78 0.74 0.00 1.00 0.00 0.00 33.01 32.42 1wpk s GLN 96 CO 0.09 0.58 1.87 0.93 -2.12 0.00 0.00 175.29 176.64 1wpk h GLU 97 N 3.29 0.16 -6.74 2.91 5.08 -2.01 -3.43 114.58 113.84 1wpk h GLU 97 Ca -0.46 -0.05 -0.50 0.00 -1.00 0.00 0.00 59.36 57.35 1wpk h GLU 97 Cb 1.16 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1wpk h GLU 97 CO 0.67 0.39 0.43 0.99 -1.00 0.00 0.00 179.01 180.49 1wpk s THR 98 N -4.52 3.81 -0.11 1.13 2.01 -1.26 -4.99 115.64 111.72 1wpk s THR 98 Ca -0.05 1.75 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 1wpk s THR 98 Cb 0.15 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1wpk s THR 98 CO 0.73 0.39 1.54 -2.16 -0.69 0.00 0.00 174.62 174.43 1wpk s PRO 99 N -1.06 4.13 0.23 4.92 0.04 -1.26 -5.01 135.00 136.99 1wpk s PRO 99 Ca 0.44 1.96 0.06 0.00 0.04 0.00 0.00 61.00 63.50 1wpk s PRO 99 Cb -0.29 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 30.28 1wpk s PRO 99 CO 0.36 -0.88 0.25 0.08 0.04 0.00 0.00 177.00 176.85 1wpk s VAL 100 N 4.08 4.80 0.06 -0.36 1.01 -1.26 -5.06 120.40 123.66 1wpk s VAL 100 Ca 0.68 -1.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 1wpk s VAL 100 Cb -0.29 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1wpk s VAL 100 CO 0.25 -0.30 1.55 0.42 0.00 0.00 0.00 175.10 177.03 1wpk s THR 101 N -2.01 3.25 0.15 3.92 -4.23 -1.26 -4.91 115.64 110.55 1wpk s THR 101 Ca 0.33 0.71 -0.13 0.00 -1.18 0.00 0.00 61.69 61.42 1wpk s THR 101 Cb -0.09 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.32 1wpk s THR 101 CO 0.26 0.00 1.64 -0.07 -0.54 0.00 0.00 174.62 175.92 1wpk h LEU 102 N 8.27 0.79 -2.14 4.79 3.38 -2.02 -2.58 115.31 125.80 1wpk h LEU 102 Ca -0.41 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.36 1wpk h LEU 102 Cb 1.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1wpk h LEU 102 CO 0.92 0.84 0.17 1.05 0.09 0.00 0.00 178.44 181.51 1wpk h GLU 103 N 0.71 0.00 -0.44 1.13 4.11 -1.98 -1.67 114.58 116.44 1wpk h GLU 103 Ca 0.15 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.64 1wpk h GLU 103 Cb 0.38 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1wpk h GLU 103 CO 0.01 0.00 0.14 0.00 0.07 0.00 0.00 179.01 179.22 1wpk h ALA 104 N 1.85 0.51 -0.04 1.06 0.00 -1.85 0.69 119.26 121.47 1wpk h ALA 104 Ca 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1wpk h ALA 104 Cb 0.43 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wpk h ALA 104 CO -0.00 -0.26 -0.17 -0.07 0.00 0.00 0.00 179.25 178.76 1wpk h LEU 105 N 0.29 0.06 -0.83 0.00 -0.00 -1.42 -0.92 115.31 112.49 1wpk h LEU 105 Ca 0.21 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.88 57.95 1wpk h LEU 105 Cb 0.22 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 1wpk h LEU 105 CO -0.23 0.24 -0.58 0.00 -0.00 0.00 0.00 178.44 177.87 1wpk h ALA 106 N 1.77 1.03 -0.15 1.53 0.00 -0.37 -2.72 119.26 120.35 1wpk h ALA 106 Ca 0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wpk h ALA 106 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wpk h ALA 106 CO 0.02 0.73 0.09 0.22 0.00 0.00 0.00 179.25 180.31 1wpk h ASP 107 N 0.00 0.19 0.37 0.00 1.82 0.16 0.53 116.42 119.50 1wpk h ASP 107 Ca -0.01 -0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.46 1wpk h ASP 107 Cb 1.03 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 1wpk h ASP 107 CO 0.08 0.20 -0.48 0.06 -1.61 0.00 0.00 179.24 177.48 1wpk h GLN 108 N 0.16 0.14 0.00 0.28 3.07 -1.51 -2.79 115.11 114.46 1wpk h GLN 108 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1wpk h GLN 108 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.61 1wpk h GLN 108 CO -0.01 0.59 -0.17 0.28 0.09 0.00 0.00 178.83 179.62 1wpk h VAL 109 N 0.11 0.00 -3.93 1.86 2.07 -1.15 -3.48 116.25 111.73 1wpk h VAL 109 Ca 0.00 -0.82 -0.22 0.00 0.82 0.00 0.00 66.70 66.48 1wpk h VAL 109 Cb 0.90 1.73 0.09 0.00 -1.52 0.00 0.00 31.29 32.48 1wpk h VAL 109 CO 0.07 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.25 1wpk n ALA 110 N -2.00 -0.89 -3.74 1.67 0.00 0.18 -5.02 120.51 110.70 1wpk n ALA 110 Ca 0.04 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1wpk n ALA 110 Cb 0.50 -2.94 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 1wpk n ALA 110 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wpk n MET 111 N -3.06 0.46 -2.89 0.00 2.81 -0.58 -5.04 117.12 108.81 1wpk n MET 111 Ca -0.04 -1.99 -0.23 0.00 -1.81 0.00 0.00 57.70 53.63 1wpk n MET 111 Cb 0.55 1.87 0.02 0.00 -0.71 0.00 0.00 33.22 34.95 1wpk n MET 111 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1wpk s SER 112 N -2.52 5.71 0.39 7.83 0.01 -1.26 -4.48 113.70 119.37 1wpk s SER 112 Ca 0.21 0.24 0.27 0.00 1.31 0.00 0.00 55.95 57.98 1wpk s SER 112 Cb -0.00 -1.41 1.38 0.00 0.21 0.00 0.00 66.02 66.20 1wpk s SER 112 CO 0.15 -0.81 1.82 1.55 0.41 0.00 0.00 173.24 176.36 1wpk h PRO 113 N 0.31 0.00 -0.10 12.44 0.13 -1.93 -2.16 132.00 140.69 1wpk h PRO 113 Ca -0.45 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.46 1wpk h PRO 113 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wpk h PRO 113 CO 0.56 0.00 -0.82 0.74 -0.23 0.00 0.00 178.00 178.25 1wpk h PHE 114 N 0.00 0.90 -0.18 1.56 0.04 -1.99 -2.03 116.94 115.24 1wpk h PHE 114 Ca 0.00 -0.42 -0.06 0.00 2.80 0.00 0.00 57.97 60.29 1wpk h PHE 114 Cb 0.09 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 1wpk h PHE 114 CO 0.00 1.23 -0.12 1.25 -0.60 0.00 0.00 178.31 180.08 1wpk h HIS 115 N 0.43 0.47 -0.68 -0.55 2.76 -1.78 -2.60 115.15 113.20 1wpk h HIS 115 Ca -0.06 -0.12 -0.07 0.00 -2.20 0.00 0.00 60.37 57.91 1wpk h HIS 115 Cb 1.44 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 30.27 1wpk h HIS 115 CO 0.08 0.73 0.13 1.25 -1.30 0.00 0.00 177.93 178.82 1wpk h LEU 116 N 0.08 1.06 0.24 0.26 5.85 -1.61 -0.95 115.31 120.23 1wpk h LEU 116 Ca 0.04 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1wpk h LEU 116 Cb 0.62 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1wpk h LEU 116 CO 0.03 1.03 -0.15 0.45 -0.34 0.00 0.00 178.44 179.47 1wpk h HIS 117 N 1.04 -0.38 -0.60 1.25 3.86 -1.35 0.71 115.15 119.68 1wpk h HIS 117 Ca 0.21 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1wpk h HIS 117 Cb 0.41 0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 1wpk h HIS 117 CO 0.03 -0.23 0.19 0.00 0.86 0.00 0.00 177.93 178.78 1wpk h ARG 118 N -0.37 0.94 -0.03 2.45 3.08 -1.41 -0.13 114.38 118.90 1wpk h ARG 118 Ca -0.02 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1wpk h ARG 118 Cb 0.31 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1wpk h ARG 118 CO 0.02 0.83 -0.00 1.25 -1.07 0.00 0.00 179.97 181.00 1wpk h LEU 119 N 0.86 0.06 -0.07 3.04 5.85 -0.98 -1.23 115.31 122.83 1wpk h LEU 119 Ca 0.19 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1wpk h LEU 119 Cb 0.29 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1wpk h LEU 119 CO -0.01 0.38 0.05 0.15 -0.34 0.00 0.00 178.44 178.67 1wpk h PHE 120 N -0.26 0.10 0.00 1.25 3.57 0.48 -2.20 116.94 119.88 1wpk h PHE 120 Ca 0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1wpk h PHE 120 Cb 0.35 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1wpk h PHE 120 CO 0.04 0.08 -0.10 0.87 -2.23 0.00 0.00 178.31 176.97 1wpk h LYS 121 N 0.09 0.00 -0.19 1.11 1.57 -1.04 0.30 116.57 118.41 1wpk h LYS 121 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1wpk h LYS 121 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1wpk h LYS 121 CO -0.01 0.10 0.07 0.00 -0.57 0.00 0.00 179.45 179.05 1wpk h ALA 122 N 1.90 0.24 0.00 3.86 0.00 -0.59 -0.78 119.26 123.89 1wpk h ALA 122 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wpk h ALA 122 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wpk h ALA 122 CO 0.01 -0.16 -0.25 1.15 0.00 0.00 0.00 179.25 180.00 1wpk h THR 123 N 0.15 0.00 0.37 0.00 2.02 -1.19 -3.41 112.91 110.85 1wpk h THR 123 Ca 0.06 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1wpk h THR 123 Cb 0.18 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1wpk h THR 123 CO -0.00 0.00 -0.31 0.71 0.37 0.00 0.00 175.52 176.29 1wpk h THR 124 N -0.70 0.36 0.00 3.16 1.35 -0.57 -3.47 112.91 113.03 1wpk h THR 124 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1wpk h THR 124 Cb 0.25 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1wpk h THR 124 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1wpk n GLY 125 N -1.43 1.77 3.13 5.82 0.00 -0.30 -5.01 105.19 109.18 1wpk n GLY 125 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1wpk n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wpk s MET 126 N -0.10 0.73 0.69 1.61 1.00 -1.26 -4.87 119.30 117.10 1wpk s MET 126 Ca 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 55.69 54.44 1wpk s MET 126 Cb 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 34.83 34.63 1wpk s MET 126 CO 0.00 0.00 1.06 0.95 0.00 0.00 0.00 175.02 177.03 1wpk s THR 127 N -2.92 3.36 0.54 2.05 -4.23 -1.26 -4.64 115.64 108.53 1wpk s THR 127 Ca 0.05 0.30 0.20 0.00 -1.18 0.00 0.00 61.69 61.06 1wpk s THR 127 Cb 0.01 -3.41 0.29 0.00 1.34 0.00 0.00 72.50 70.72 1wpk s THR 127 CO -0.03 -0.52 2.18 1.55 -0.54 0.00 0.00 174.62 177.26 1wpk h PRO 128 N -0.57 0.00 -0.06 3.99 0.13 -2.00 -1.35 132.00 132.14 1wpk h PRO 128 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 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 0.63 0.00 -0.59 -0.22 -0.23 0.00 0.00 178.00 177.59 1wpk h LYS 129 N 0.00 0.19 0.00 0.86 1.63 -2.00 -2.66 116.57 114.58 1wpk h LYS 129 Ca -0.00 -0.13 -0.17 0.00 -0.85 0.00 0.00 60.65 59.51 1wpk h LYS 129 Cb 0.01 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1wpk h LYS 129 CO 0.00 0.72 -0.80 0.00 -3.45 0.00 0.00 179.45 175.93 1wpk h ALA 130 N 1.25 0.69 -0.15 5.00 0.00 -1.63 -3.04 119.26 121.37 1wpk h ALA 130 Ca -0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 54.91 54.00 1wpk h ALA 130 Cb 1.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wpk h ALA 130 CO 0.09 0.99 -0.66 -1.49 0.00 0.00 0.00 179.25 178.18 1wpk h TRP 131 N 0.00 0.77 -0.39 0.00 4.06 -1.33 -1.65 115.95 117.41 1wpk h TRP 131 Ca -0.01 -0.31 -0.06 0.00 2.06 0.00 0.00 58.89 60.58 1wpk h TRP 131 Cb 1.41 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 29.42 1wpk h TRP 131 CO 0.00 1.08 0.03 1.96 -3.56 0.00 0.00 178.44 177.95 1wpk h GLN 132 N 0.43 0.67 0.00 0.49 4.20 -1.49 -2.83 115.11 116.58 1wpk h GLN 132 Ca -0.02 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 1wpk h GLN 132 Cb 1.24 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 1wpk h GLN 132 CO 0.13 0.75 -0.40 -0.56 -0.67 0.00 0.00 178.83 178.08 1wpk h GLN 133 N 0.51 0.00 -0.73 1.46 3.07 -1.55 -2.99 115.11 114.88 1wpk h GLN 133 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.84 1wpk h GLN 133 Cb 0.43 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.95 1wpk h GLN 133 CO 0.01 0.40 0.40 0.00 0.09 0.00 0.00 178.83 179.73 1wpk h ALA 134 N 1.60 0.94 -0.08 0.06 0.00 -1.05 -0.47 119.26 120.26 1wpk h ALA 134 Ca -0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 1wpk h ALA 134 Cb 0.96 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wpk h ALA 134 CO 0.05 0.46 -0.78 -1.49 0.00 0.00 0.00 179.25 177.49 1wpk h TRP 135 N 1.01 0.64 -0.20 0.00 6.55 -1.49 -2.89 115.95 119.57 1wpk h TRP 135 Ca 0.26 -0.30 -0.02 0.00 0.95 0.00 0.00 58.89 59.79 1wpk h TRP 135 Cb 0.05 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.24 1wpk h TRP 135 CO -0.00 1.07 0.06 0.00 -1.05 0.00 0.00 178.44 178.53 1wpk h ARG 136 N 0.31 0.32 -0.26 0.49 3.08 -1.34 -0.69 114.38 116.29 1wpk h ARG 136 Ca -0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1wpk h ARG 136 Cb 1.37 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1wpk h ARG 136 CO 0.14 0.41 0.07 0.00 -1.07 0.00 0.00 179.97 179.51 1wpk h ALA 137 N 0.89 1.63 -0.00 0.04 0.00 -1.14 -0.39 119.26 120.29 1wpk h ALA 137 Ca 0.07 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1wpk h ALA 137 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1wpk h ALA 137 CO -0.00 0.29 -0.80 -0.09 0.00 0.00 0.00 179.25 178.64 1wpk h ARG 138 N 0.37 0.09 0.01 0.00 9.65 -1.27 0.39 114.38 123.63 1wpk h ARG 138 Ca 0.09 -0.10 -0.20 0.00 -1.10 0.00 0.00 59.98 58.67 1wpk h ARG 138 Cb 0.15 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 1wpk h ARG 138 CO -0.00 0.84 -0.91 0.00 2.80 0.00 0.00 179.97 182.69 1wpk h ARG 139 N 0.06 0.15 0.04 0.20 3.08 -0.36 -2.67 114.38 114.88 1wpk h ARG 139 Ca -0.02 -0.18 -0.27 0.00 0.07 0.00 0.00 59.98 59.57 1wpk h ARG 139 Cb 1.40 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.48 1wpk h ARG 139 CO 0.11 0.96 -1.44 -0.07 -1.07 0.00 0.00 179.97 178.47 1wpk h LEU 140 N 0.08 0.12 -0.81 3.04 4.07 -1.09 -2.54 115.31 118.18 1wpk h LEU 140 Ca -0.04 -0.18 -0.13 0.00 0.08 0.00 0.00 57.88 57.62 1wpk h LEU 140 Cb 1.57 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.25 1wpk h LEU 140 CO 0.14 1.15 -0.53 -0.09 -1.08 0.00 0.00 178.44 178.02 1wpk h ARG 141 N 0.02 0.17 0.04 1.13 2.43 -0.97 0.99 114.38 118.19 1wpk h ARG 141 Ca -0.19 -0.10 -0.28 0.00 -0.81 0.00 0.00 59.98 58.60 1wpk h ARG 141 Cb 1.94 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.46 1wpk h ARG 141 CO 0.12 0.66 -1.50 1.49 -1.51 0.00 0.00 179.97 179.23 1wpk h GLU 142 N 0.13 0.09 0.00 0.20 4.22 -1.58 -3.41 114.58 114.24 1wpk h GLU 142 Ca 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1wpk h GLU 142 Cb 0.98 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1wpk h GLU 142 CO 0.08 0.85 -0.01 1.03 -2.18 0.00 0.00 179.01 178.78 1wpk h SER 143 N 0.02 0.00 -3.22 1.04 0.87 -1.40 -3.44 113.55 107.42 1wpk h SER 143 Ca -0.21 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.76 1wpk h SER 143 Cb 1.96 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.84 1wpk h SER 143 CO 0.12 0.19 0.63 -0.76 -0.53 0.00 0.00 176.83 176.48 1wpk s LEU 144 N -5.74 4.07 -0.21 2.23 2.01 0.33 -5.03 118.68 116.35 1wpk s LEU 144 Ca -0.00 1.14 -0.07 0.00 0.01 0.00 0.00 54.13 55.20 1wpk s LEU 144 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 46.19 42.81 1wpk s LEU 144 CO 0.00 -0.62 0.06 0.00 1.01 0.00 0.00 176.35 176.80 1wpk s ALA 145 N 3.08 3.29 0.00 4.21 0.00 -1.26 -4.46 121.76 126.62 1wpk s ALA 145 Ca 0.39 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1wpk s ALA 145 Cb -0.15 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1wpk s ALA 145 CO 0.08 -0.07 0.38 0.36 0.00 0.00 0.00 175.76 176.52