#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 4.70 -0.23 2.12 2.36 -1.26 -5.03 119.74 122.40 1wpk s LYS 2 Ca 0.00 1.39 -0.16 0.00 -2.55 0.00 0.00 55.97 54.65 1wpk s LYS 2 Cb 0.00 -3.35 -0.03 0.00 -1.05 0.00 0.00 37.83 33.40 1wpk s LYS 2 CO 0.00 0.31 0.44 0.15 1.55 0.00 0.00 175.35 177.80 1wpk s LYS 3 N -0.34 4.11 0.40 4.03 1.02 -1.26 -5.07 119.74 122.63 1wpk s LYS 3 Ca 0.44 0.21 -0.21 0.00 0.02 0.00 0.00 55.97 56.43 1wpk s LYS 3 Cb -0.24 -3.60 -0.11 0.00 -0.52 0.00 0.00 37.83 33.37 1wpk s LYS 3 CO 0.29 -0.19 0.93 0.00 -0.92 0.00 0.00 175.35 175.45 1wpk s ALA 4 N 1.80 3.10 -0.06 5.17 0.00 -1.26 -5.00 121.76 125.52 1wpk s ALA 4 Ca 0.19 0.38 -0.24 0.00 0.00 0.00 0.00 51.96 52.29 1wpk s ALA 4 Cb -0.15 -3.12 -0.24 0.00 0.00 0.00 0.00 23.12 19.61 1wpk s ALA 4 CO 0.09 0.16 1.00 0.00 0.00 0.00 0.00 175.76 177.01 1wpk h THR 5 N 2.05 1.56 0.00 0.00 1.03 -1.95 -3.44 112.91 112.16 1wpk h THR 5 Ca -0.49 -2.01 0.00 0.00 -0.01 0.00 0.00 66.41 63.90 1wpk h THR 5 Cb 1.18 2.83 0.00 0.00 -1.07 0.00 0.00 68.15 71.09 1wpk h THR 5 CO 0.62 0.55 0.00 0.00 -0.01 0.00 0.00 175.52 176.68 1wpk n LEU 7 N -1.30 0.00 -4.13 0.00 -0.00 -1.26 -5.15 117.00 105.16 1wpk n LEU 7 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1wpk n LEU 7 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1wpk n LEU 7 CO 0.00 0.00 -0.35 0.28 -0.00 0.00 0.00 177.39 177.32 1wpk s THR 8 N -0.71 0.35 0.25 1.47 -1.32 -1.26 -5.03 115.64 109.39 1wpk s THR 8 Ca 0.00 -1.87 0.13 0.00 -1.21 0.00 0.00 61.69 58.75 1wpk s THR 8 Cb 0.00 -1.68 0.04 0.00 -1.51 0.00 0.00 72.50 69.35 1wpk s THR 8 CO 0.00 -0.86 1.67 0.44 -2.21 0.00 0.00 174.62 173.67 1wpk h ASP 9 N 3.03 0.00 -0.26 8.08 3.32 -2.01 -3.13 116.42 125.45 1wpk h ASP 9 Ca -0.35 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.52 1wpk h ASP 9 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1wpk h ASP 9 CO 0.64 0.52 -0.57 0.44 -1.72 0.00 0.00 179.24 178.55 1wpk h ASP 10 N 0.00 0.95 -0.92 6.45 3.32 -1.99 -2.84 116.42 121.39 1wpk h ASP 10 Ca -0.01 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 56.52 1wpk h ASP 10 Cb 0.99 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 1wpk h ASP 10 CO 0.07 1.33 0.60 -0.61 -1.72 0.00 0.00 179.24 178.90 1wpk h GLN 11 N 0.62 1.15 0.09 3.56 5.75 -1.96 -2.55 115.11 121.77 1wpk h GLN 11 Ca 0.00 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1wpk h GLN 11 Cb 1.18 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.47 1wpk h GLN 11 CO 0.13 0.76 -0.04 0.00 -2.65 0.00 0.00 178.83 177.03 1wpk h ARG 12 N 1.19 -0.12 -0.29 1.69 3.08 -1.55 -2.76 114.38 115.62 1wpk h ARG 12 Ca 0.35 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.50 1wpk h ARG 12 Cb -0.05 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1wpk h ARG 12 CO -0.10 0.20 0.42 2.35 -1.07 0.00 0.00 179.97 181.76 1wpk h TRP 13 N -0.44 0.00 0.39 3.04 -0.00 -1.31 -1.60 115.95 116.03 1wpk h TRP 13 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.86 1wpk h TRP 13 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.53 1wpk h TRP 13 CO 0.03 0.00 -0.19 0.37 -0.00 0.00 0.00 178.44 178.65 1wpk h GLN 14 N 0.00 -0.51 -0.28 2.65 4.15 -1.15 -1.55 115.11 118.42 1wpk h GLN 14 Ca 0.14 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.61 1wpk h GLN 14 Cb 0.97 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1wpk h GLN 14 CO -0.00 -0.24 0.18 0.77 -1.93 0.00 0.00 178.83 177.61 1wpk h SER 15 N -0.72 0.26 -0.07 -0.69 0.02 -1.34 0.21 113.55 111.21 1wpk h SER 15 Ca -0.05 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1wpk h SER 15 Cb 0.51 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1wpk h SER 15 CO 0.09 0.18 0.01 0.58 -1.14 0.00 0.00 176.83 176.55 1wpk h VAL 16 N 0.30 1.23 -0.15 2.27 2.07 -1.31 -2.12 116.25 118.55 1wpk h VAL 16 Ca 0.11 -0.71 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 1wpk h VAL 16 Cb 0.06 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1wpk h VAL 16 CO -0.02 0.20 -0.50 -0.07 0.02 0.00 0.00 177.57 177.19 1wpk h LEU 17 N -0.14 0.44 -1.95 2.57 3.38 -0.74 -2.81 115.31 116.05 1wpk h LEU 17 Ca 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1wpk h LEU 17 Cb 0.31 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1wpk h LEU 17 CO 0.00 0.87 -0.10 0.00 0.09 0.00 0.00 178.44 179.30 1wpk h ALA 18 N 1.14 1.27 -3.67 1.53 0.00 -0.51 -3.46 119.26 115.55 1wpk h ALA 18 Ca 0.01 -0.10 -0.40 0.00 0.00 0.00 0.00 54.91 54.43 1wpk h ALA 18 Cb 1.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1wpk h ALA 18 CO 0.09 0.13 -0.55 0.54 0.00 0.00 0.00 179.25 179.46 1wpk n ARG 19 N -3.60 -2.92 -1.57 0.00 3.00 -0.80 -4.86 116.66 105.90 1wpk n ARG 19 Ca -0.02 0.93 -0.43 0.00 -0.01 0.00 0.00 57.85 58.32 1wpk n ARG 19 Cb 0.23 -5.66 -0.04 0.00 0.00 0.00 0.00 32.46 26.99 1wpk n ARG 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1wpk n ASP 20 N -2.19 2.98 0.20 0.55 -0.08 -1.23 -4.81 116.55 111.96 1wpk n ASP 20 Ca -0.19 0.14 0.14 0.00 -1.51 0.00 0.00 54.79 53.38 1wpk n ASP 20 Cb 0.65 -1.52 0.66 0.00 2.34 0.00 0.00 41.12 43.25 1wpk n ASP 20 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wpk h PRO 21 N 15.28 0.00 -0.92 -0.67 0.13 -1.95 -2.53 132.00 141.34 1wpk h PRO 21 Ca -0.37 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.18 1wpk h PRO 21 Cb 1.25 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.09 1wpk h PRO 21 CO 0.99 0.00 0.58 0.09 -0.23 0.00 0.00 178.00 179.44 1wpk n ASN 22 N -2.51 5.82 -1.76 1.44 3.02 -1.26 -4.57 115.26 115.43 1wpk n ASN 22 Ca 0.00 -3.73 -0.10 0.00 -0.03 0.00 0.00 54.58 50.71 1wpk n ASN 22 Cb 0.16 -0.85 0.18 0.00 -0.61 0.00 0.00 39.78 38.66 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpk n ALA 23 N -0.99 4.34 -1.54 5.41 0.00 -0.95 -4.92 120.51 121.86 1wpk n ALA 23 Ca 0.58 -1.85 -0.23 0.00 0.00 0.00 0.00 53.44 51.94 1wpk n ALA 23 Cb 1.03 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 1wpk n ALA 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wpk n ASP 24 N -0.33 1.16 0.00 0.00 2.03 -1.26 0.94 116.55 119.08 1wpk n ASP 24 Ca 0.36 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1wpk n ASP 24 Cb 1.22 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 1wpk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wpk n GLY 25 N 6.34 0.82 0.00 0.27 0.00 -1.26 -5.07 105.19 106.30 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 -3.61 1.61 -0.58 0.27 -5.02 120.64 113.30 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 -0.65 -0.06 0.00 -0.57 0.00 0.00 31.44 30.17 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 -0.41 -0.31 -0.07 -0.32 -0.12 -1.19 -4.88 117.98 110.68 1wpk s PHE 27 Ca 0.00 0.62 -0.20 0.00 -0.05 0.00 0.00 56.93 57.31 1wpk s PHE 27 Cb 0.00 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1wpk s PHE 27 CO 0.00 -0.22 0.55 0.08 -0.05 0.00 0.00 175.22 175.58 1wpk s VAL 28 N -0.59 5.08 -0.40 -2.49 1.01 0.33 -3.73 120.40 119.61 1wpk s VAL 28 Ca 0.02 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 1wpk s VAL 28 Cb -0.02 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1wpk s VAL 28 CO -0.04 0.34 0.55 -0.36 0.00 0.00 0.00 175.10 175.59 1wpk s PHE 29 N 0.40 3.13 -0.21 5.22 0.08 -1.26 0.69 117.98 126.02 1wpk s PHE 29 Ca 0.30 -0.05 -0.21 0.00 0.12 0.00 0.00 56.93 57.08 1wpk s PHE 29 Cb -0.16 -3.09 -0.02 0.00 -0.57 0.00 0.00 43.02 39.18 1wpk s PHE 29 CO 0.14 -0.71 0.67 0.00 -0.10 0.00 0.00 175.22 175.21 1wpk s ALA 30 N 2.50 3.57 -0.49 5.36 0.00 0.46 -4.05 121.76 129.10 1wpk s ALA 30 Ca 0.19 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1wpk s ALA 30 Cb -0.15 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 19.98 1wpk s ALA 30 CO 0.16 -0.66 0.64 0.08 0.00 0.00 0.00 175.76 175.98 1wpk s VAL 31 N 2.16 4.84 0.30 0.00 1.01 0.35 0.20 120.40 129.26 1wpk s VAL 31 Ca 0.30 -0.33 0.21 0.00 0.00 0.00 0.00 61.98 62.15 1wpk s VAL 31 Cb -0.16 -4.29 0.19 0.00 0.00 0.00 0.00 36.38 32.13 1wpk s VAL 31 CO 0.10 -0.77 1.88 -0.09 0.00 0.00 0.00 175.10 176.22 1wpk h ARG 32 N 8.98 0.00 0.53 2.72 1.12 -1.84 1.21 114.38 127.11 1wpk h ARG 32 Ca -0.27 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.57 1wpk h ARG 32 Cb 1.09 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.06 1wpk h ARG 32 CO 0.95 0.27 -0.26 1.79 -3.11 0.00 0.00 179.97 179.61 1wpk h THR 33 N 0.00 0.10 0.01 0.20 1.35 -1.91 -3.34 112.91 109.32 1wpk h THR 33 Ca -0.00 -0.48 -0.25 0.00 -0.55 0.00 0.00 66.41 65.13 1wpk h THR 33 Cb 0.63 0.15 -0.04 0.00 -1.73 0.00 0.00 68.15 67.16 1wpk h THR 33 CO 0.04 0.02 -1.29 0.74 -0.25 0.00 0.00 175.52 174.78 1wpk h THR 34 N -1.15 1.37 -0.16 6.82 2.02 -1.96 -3.48 112.91 116.36 1wpk h THR 34 Ca -0.07 -3.13 0.00 0.00 0.77 0.00 0.00 66.41 63.98 1wpk h THR 34 Cb 0.58 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 1wpk h THR 34 CO 0.12 0.79 0.00 0.61 0.37 0.00 0.00 175.52 177.41 1wpk n GLY 35 N 1.44 1.12 3.78 2.16 0.00 0.41 -4.96 105.19 109.15 1wpk n GLY 35 Ca -0.07 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.16 0.99 0.12 -0.61 -4.36 -0.96 -0.77 121.20 113.45 1wpk s ILE 36 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1wpk s ILE 36 Cb 0.00 -2.02 -0.00 0.00 1.25 0.00 0.00 42.46 41.69 1wpk s ILE 36 CO 0.00 0.00 0.15 2.22 0.24 0.00 0.00 174.94 177.55 1wpk n PHE 37 N -1.30 -0.67 -2.54 1.37 1.16 0.44 0.13 117.46 116.05 1wpk n PHE 37 Ca -0.21 -0.86 -0.22 0.00 -1.87 0.00 0.00 57.45 54.29 1wpk n PHE 37 Cb 0.67 0.17 0.05 0.00 -1.61 0.00 0.00 39.48 38.76 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 -2.32 2.43 0.29 3.97 1.81 -1.19 -0.27 118.95 123.67 1wpk s ARG 39 Ca 0.11 -0.67 -0.02 0.00 -1.72 0.00 0.00 55.73 53.43 1wpk s ARG 39 Cb -0.00 -2.41 0.63 0.00 -0.45 0.00 0.00 34.95 32.72 1wpk s ARG 39 CO 0.08 -0.86 1.60 -1.35 -0.68 0.00 0.00 175.30 174.09 1wpk h PRO 40 N -0.10 0.05 0.00 3.54 0.11 -1.84 -3.39 132.00 130.37 1wpk h PRO 40 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wpk h PRO 40 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1wpk h PRO 40 CO 0.54 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 1wpk n SER 41 N -5.44 0.00 0.00 -2.05 3.41 -1.26 -3.14 113.62 105.15 1wpk n SER 41 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1wpk n SER 41 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1wpk n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wpk n ARG 43 N -1.08 0.00 -2.72 0.00 -4.01 -1.26 -4.63 116.66 102.97 1wpk n ARG 43 Ca 0.00 -0.86 -0.41 0.00 -1.04 0.00 0.00 57.85 55.54 1wpk n ARG 43 Cb 0.00 0.13 -0.04 0.00 -3.04 0.00 0.00 32.46 29.51 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 0.00 3.21 -0.53 2.89 0.00 -1.26 -4.94 121.76 121.13 1wpk s ALA 44 Ca 0.06 0.56 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 1wpk s ALA 44 Cb 0.07 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1wpk s ALA 44 CO -0.03 -0.11 2.39 1.03 0.00 0.00 0.00 175.76 179.05 1wpk s ARG 45 N 0.40 2.06 -0.21 0.00 0.52 -1.26 -4.88 118.95 115.58 1wpk s ARG 45 Ca 0.49 1.29 -0.15 0.00 -0.52 0.00 0.00 55.73 56.84 1wpk s ARG 45 Cb -0.22 -4.60 0.06 0.00 0.52 0.00 0.00 34.95 30.71 1wpk s ARG 45 CO 0.29 -3.39 0.54 -1.01 0.02 0.00 0.00 175.30 171.75 1wpk s HIS 46 N 12.39 -0.71 0.03 -0.53 3.76 -1.26 -5.08 115.29 123.90 1wpk s HIS 46 Ca 0.96 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 57.43 1wpk s HIS 46 Cb -0.16 0.32 0.00 0.00 1.11 0.00 0.00 32.58 33.85 1wpk s HIS 46 CO 0.24 -0.36 0.00 0.00 -0.85 0.00 0.00 174.74 173.77 1wpk n ALA 47 N 3.59 -2.02 -1.01 -1.40 0.00 -1.26 -4.94 120.51 113.47 1wpk n ALA 47 Ca -0.18 0.49 -0.04 0.00 0.00 0.00 0.00 53.44 53.71 1wpk n ALA 47 Cb 0.57 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 1.83 0.00 -2.90 0.00 4.77 -1.26 -4.59 117.00 114.85 1wpk n LEU 48 Ca 0.00 -0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.50 1wpk n LEU 48 Cb 0.00 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1wpk n LEU 48 CO 0.00 -1.22 2.56 -1.14 -1.33 0.00 0.00 177.39 176.26 1wpk n ARG 49 N -2.13 2.70 0.00 3.23 0.63 -1.26 -2.96 116.66 116.87 1wpk n ARG 49 Ca 0.03 -1.61 0.00 0.00 -0.92 0.00 0.00 57.85 55.35 1wpk n ARG 49 Cb 0.11 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.57 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 3.43 0.00 -1.07 -0.14 0.28 -1.26 -4.95 120.64 116.93 1wpk n GLU 50 Ca 0.58 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 57.42 1wpk n GLU 50 Cb 0.37 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.46 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 -0.79 4.11 -4.28 -1.84 3.02 -1.16 -4.91 115.26 109.42 1wpk n ASN 51 Ca 0.00 -3.34 -0.31 0.00 -0.03 0.00 0.00 54.58 50.90 1wpk n ASN 51 Cb 0.00 -0.78 -0.16 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 -2.96 2.07 0.17 2.41 0.11 -1.20 -3.42 120.40 117.57 1wpk s VAL 52 Ca 0.52 -1.08 0.06 0.00 -2.93 0.00 0.00 61.98 58.56 1wpk s VAL 52 Cb 0.43 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 1wpk s VAL 52 CO 0.11 0.57 0.09 -0.44 -3.33 0.00 0.00 175.10 172.10 1wpk s SER 53 N -0.30 5.24 -0.06 3.54 0.01 0.13 -4.95 113.70 117.31 1wpk s SER 53 Ca 0.01 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1wpk s SER 53 Cb -0.13 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 1wpk s SER 53 CO 0.02 0.08 -0.09 -0.36 0.41 0.00 0.00 173.24 173.30 1wpk s PHE 54 N -1.75 2.87 0.10 2.43 0.08 -1.26 -0.40 117.98 120.05 1wpk s PHE 54 Ca 0.30 -0.03 -0.03 0.00 0.12 0.00 0.00 56.93 57.29 1wpk s PHE 54 Cb -0.10 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1wpk s PHE 54 CO 0.22 0.29 0.08 0.71 -0.10 0.00 0.00 175.22 176.42 1wpk s TYR 55 N -0.80 0.55 -0.21 0.36 2.02 0.22 -4.87 117.35 114.63 1wpk s TYR 55 Ca 0.12 -1.00 -0.08 0.00 -0.37 0.00 0.00 57.07 55.74 1wpk s TYR 55 Cb -0.11 -0.32 -0.20 0.00 -0.40 0.00 0.00 41.96 40.94 1wpk s TYR 55 CO 0.01 -0.50 0.03 0.00 -1.57 0.00 0.00 175.55 173.52 1wpk n ALA 56 N -0.03 1.08 -2.19 3.71 0.00 -1.26 0.12 120.51 121.94 1wpk n ALA 56 Ca -0.10 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.41 1wpk n ALA 56 Cb 0.62 -0.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 1wpk n ALA 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wpk s ASN 57 N -6.94 0.22 0.19 0.00 2.47 -1.26 -4.27 114.94 105.35 1wpk s ASN 57 Ca -0.30 -1.35 -0.07 0.00 0.42 0.00 0.00 52.86 51.56 1wpk s ASN 57 Cb 0.09 0.35 0.11 0.00 -1.45 0.00 0.00 41.25 40.35 1wpk s ASN 57 CO 0.64 -0.81 1.62 0.00 -3.72 0.00 0.00 177.10 174.83 1wpk h ALA 58 N 2.67 0.82 -0.10 1.71 0.00 -1.98 -2.68 119.26 119.70 1wpk h ALA 58 Ca -0.36 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.21 1wpk h ALA 58 Cb 1.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wpk h ALA 58 CO 0.55 0.65 0.07 0.66 0.00 0.00 0.00 179.25 181.18 1wpk h SER 59 N 0.83 0.07 0.05 0.00 4.64 -1.97 0.88 113.55 118.06 1wpk h SER 59 Ca 0.13 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1wpk h SER 59 Cb 0.68 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1wpk h SER 59 CO 0.05 0.05 -0.03 -0.33 -0.87 0.00 0.00 176.83 175.71 1wpk h GLU 60 N 0.09 -0.07 -0.23 4.77 4.39 -1.91 -2.55 114.58 119.08 1wpk h GLU 60 Ca 0.04 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.57 1wpk h GLU 60 Cb 0.06 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1wpk h GLU 60 CO -0.01 0.55 -0.57 0.00 -1.16 0.00 0.00 179.01 177.83 1wpk h ALA 61 N -0.06 0.57 -0.39 3.43 0.00 -1.24 -2.97 119.26 118.60 1wpk h ALA 61 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1wpk h ALA 61 Cb 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1wpk h ALA 61 CO 0.01 0.69 0.19 1.25 0.00 0.00 0.00 179.25 181.39 1wpk h LEU 62 N 0.54 0.50 -1.20 0.00 6.46 0.66 -2.65 115.31 119.62 1wpk h LEU 62 Ca 0.01 -0.12 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1wpk h LEU 62 Cb 1.14 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.90 1wpk h LEU 62 CO 0.12 0.48 0.55 0.00 -0.62 0.00 0.00 178.44 178.96 1wpk h ALA 63 N 1.04 1.47 0.00 1.25 0.00 -1.46 -0.58 119.26 120.99 1wpk h ALA 63 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wpk h ALA 63 Cb 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1wpk h ALA 63 CO -0.02 0.45 -0.05 0.00 0.00 0.00 0.00 179.25 179.63 1wpk h ALA 64 N 1.51 1.32 0.00 0.00 0.00 -1.31 -3.45 119.26 117.32 1wpk h ALA 64 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wpk h ALA 64 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wpk h ALA 64 CO -0.09 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1wpk n GLY 65 N -0.95 0.60 2.95 0.00 0.00 -0.24 -5.12 105.19 102.43 1wpk n GLY 65 Ca -0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.43 -0.06 0.39 1.61 0.40 -1.16 -4.89 117.98 113.84 1wpk s PHE 66 Ca 0.00 0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 56.26 1wpk s PHE 66 Cb 0.00 0.02 -0.10 0.00 0.51 0.00 0.00 43.02 43.45 1wpk s PHE 66 CO 0.00 -0.05 0.96 1.03 0.70 0.00 0.00 175.22 177.86 1wpk s ARG 67 N -0.04 4.33 0.53 0.44 0.52 0.06 -4.25 118.95 120.53 1wpk s ARG 67 Ca -0.01 1.24 -0.14 0.00 -0.52 0.00 0.00 55.73 56.31 1wpk s ARG 67 Cb -0.01 -2.43 -0.07 0.00 0.52 0.00 0.00 34.95 32.96 1wpk s ARG 67 CO 0.00 0.05 0.96 -1.25 0.02 0.00 0.00 175.30 175.08 1wpk s PRO 68 N -2.71 3.82 -0.29 3.54 0.04 -1.26 0.17 135.00 138.30 1wpk s PRO 68 Ca 0.58 0.81 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 1wpk s PRO 68 Cb -0.14 -2.16 0.09 0.00 0.04 0.00 0.00 34.50 32.33 1wpk s PRO 68 CO 0.19 -0.31 0.08 0.00 0.04 0.00 0.00 177.00 176.99 1wpk n LYS 70 N 4.85 1.11 0.21 0.00 0.00 -1.26 -3.15 118.16 119.92 1wpk n LYS 70 Ca -0.03 -0.64 0.18 0.00 -0.00 0.00 0.00 58.31 57.81 1wpk n LYS 70 Cb 0.43 -1.49 0.79 0.00 -0.00 0.00 0.00 35.03 34.76 1wpk n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wpk h ARG 71 N 1.57 0.00 -0.63 -1.58 3.08 -1.98 0.66 114.38 115.50 1wpk h ARG 71 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wpk h ARG 71 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1wpk h ARG 71 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1wpk n GLN 73 N 0.57 -4.18 0.07 0.00 6.02 0.23 -4.43 117.38 115.67 1wpk n GLN 73 Ca 0.16 3.20 -0.21 0.00 -0.01 0.00 0.00 57.00 60.14 1wpk n GLN 73 Cb 0.65 -3.87 -0.15 0.00 1.02 0.00 0.00 30.24 27.90 1wpk n GLN 73 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1wpk h PRO 74 N 0.63 0.37 0.00 -1.09 0.13 -1.95 -3.46 132.00 126.63 1wpk h PRO 74 Ca 0.00 -0.61 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1wpk h PRO 74 Cb 0.64 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1wpk h PRO 74 CO 0.00 1.29 0.00 -0.85 -0.23 0.00 0.00 178.00 178.21 1wpk n GLU 75 N -4.03 0.00 -0.73 0.86 0.28 -1.26 -4.85 120.64 110.91 1wpk n GLU 75 Ca -0.14 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.61 1wpk n GLU 75 Cb 0.89 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.97 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 -1.97 -3.10 0.15 3.44 5.02 -1.26 -4.90 118.16 115.55 1wpk n LYS 76 Ca 0.00 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.89 1wpk n LYS 76 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1wpk n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wpk n ALA 77 N -4.70 0.87 -2.52 7.82 0.00 -1.26 -4.89 120.51 115.83 1wpk n ALA 77 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1wpk n ALA 77 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 1wpk n ALA 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wpk s ASN 78 N -2.87 7.15 0.00 0.00 2.20 -1.26 -4.86 114.94 115.30 1wpk s ASN 78 Ca 0.00 1.84 0.00 0.00 -0.94 0.00 0.00 52.86 53.76 1wpk s ASN 78 Cb 0.00 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.68 1wpk s ASN 78 CO 0.00 -0.45 0.00 0.00 -2.94 0.00 0.00 177.10 173.71 1wpk n ALA 79 N 4.34 2.66 -3.82 3.54 0.00 -1.26 -5.00 120.51 120.96 1wpk n ALA 79 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 1wpk n ALA 79 Cb 0.48 0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 1wpk n ALA 79 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wpk s GLN 80 N -1.74 1.63 -0.55 0.00 2.00 -1.26 -5.05 119.66 114.69 1wpk s GLN 80 Ca 0.00 -2.33 -0.06 0.00 -2.00 0.00 0.00 55.36 50.97 1wpk s GLN 80 Cb 0.00 -2.79 0.14 0.00 0.80 0.00 0.00 33.01 31.17 1wpk s GLN 80 CO 0.00 -1.15 0.39 -1.14 -0.50 0.00 0.00 175.29 172.89 1wpk s GLN 81 N -0.00 2.51 -0.08 1.67 0.74 -1.26 -4.84 119.66 118.41 1wpk s GLN 81 Ca 0.18 -2.11 0.07 0.00 0.05 0.00 0.00 55.36 53.55 1wpk s GLN 81 Cb -0.24 -3.84 -0.10 0.00 1.10 0.00 0.00 33.01 29.94 1wpk s GLN 81 CO -0.01 -1.17 0.02 0.72 -0.55 0.00 0.00 175.29 174.30 1wpk n HIS 82 N 4.26 0.00 -0.24 1.67 8.25 -1.26 -4.35 115.22 123.56 1wpk n HIS 82 Ca 0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.51 1wpk n HIS 82 Cb 0.41 -0.39 0.28 0.00 1.12 0.00 0.00 29.99 31.40 1wpk n HIS 82 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wpk h ARG 83 N 0.00 0.90 0.01 -0.41 0.11 -2.00 -0.30 114.38 112.69 1wpk h ARG 83 Ca -0.22 -0.05 -0.19 0.00 0.10 0.00 0.00 59.98 59.62 1wpk h ARG 83 Cb 1.48 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 32.34 1wpk h ARG 83 CO 0.01 0.60 -0.90 1.25 0.10 0.00 0.00 179.97 181.03 1wpk h LEU 84 N 0.93 0.06 -0.68 0.08 6.46 -1.94 -2.90 115.31 117.32 1wpk h LEU 84 Ca 0.34 -0.05 -0.14 0.00 -0.12 0.00 0.00 57.88 57.90 1wpk h LEU 84 Cb 0.15 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1wpk h LEU 84 CO -0.11 0.92 -0.55 0.44 -0.62 0.00 0.00 178.44 178.52 1wpk h ASP 85 N 0.02 0.34 0.16 1.25 5.19 -1.49 -2.32 116.42 119.57 1wpk h ASP 85 Ca -0.02 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 1wpk h ASP 85 Cb 1.57 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.99 1wpk h ASP 85 CO 0.12 0.83 -0.08 0.11 -3.12 0.00 0.00 179.24 177.10 1wpk h LYS 86 N 0.24 -0.20 -0.73 3.56 1.57 -1.11 -2.94 116.57 116.95 1wpk h LYS 86 Ca 0.00 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1wpk h LYS 86 Cb 1.04 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1wpk h LYS 86 CO 0.09 0.23 0.48 -0.84 -0.57 0.00 0.00 179.45 178.84 1wpk h ILE 87 N -0.82 1.00 -0.88 1.86 -0.00 -1.58 -0.83 117.51 116.27 1wpk h ILE 87 Ca -0.02 -0.25 -0.03 0.00 -0.00 0.00 0.00 64.86 64.56 1wpk h ILE 87 Cb 0.53 0.20 -0.04 0.00 -0.00 0.00 0.00 36.82 37.51 1wpk h ILE 87 CO 0.04 0.13 0.45 0.74 -0.00 0.00 0.00 178.15 179.51 1wpk h THR 88 N 0.73 1.26 -0.07 0.16 2.02 -1.45 0.86 112.91 116.41 1wpk h THR 88 Ca 0.32 -0.69 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 1wpk h THR 88 Cb 0.32 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1wpk h THR 88 CO -0.11 0.31 -0.47 0.45 0.37 0.00 0.00 175.52 176.06 1wpk h HIS 89 N 1.24 0.20 -0.10 3.16 3.86 -1.00 -2.91 115.15 119.60 1wpk h HIS 89 Ca 0.30 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.34 1wpk h HIS 89 Cb 0.08 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1wpk h HIS 89 CO 0.01 0.61 -0.40 0.00 0.86 0.00 0.00 177.93 179.02 1wpk h ALA 90 N 1.38 0.18 -0.91 2.45 0.00 -0.54 -2.02 119.26 119.80 1wpk h ALA 90 Ca 0.01 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 54.54 1wpk h ALA 90 Cb 0.89 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1wpk h ALA 90 CO 0.07 0.28 0.56 0.00 0.00 0.00 0.00 179.25 180.16 1wpk h ARG 92 N 0.96 0.00 -0.52 0.00 2.43 -1.54 -3.21 114.38 112.50 1wpk h ARG 92 Ca 0.42 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.53 1wpk h ARG 92 Cb 0.30 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1wpk h ARG 92 CO -0.22 0.68 0.09 1.25 -1.51 0.00 0.00 179.97 180.27 1wpk h LEU 93 N 0.00 0.82 0.42 3.80 7.12 -0.40 -3.20 115.31 123.87 1wpk h LEU 93 Ca -0.01 -0.25 -0.02 0.00 0.13 0.00 0.00 57.88 57.73 1wpk h LEU 93 Cb 1.29 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1wpk h LEU 93 CO 0.09 0.87 -0.20 0.25 -0.13 0.00 0.00 178.44 179.31 1wpk h LEU 94 N 0.74 -0.48 -8.29 2.25 7.12 -1.35 -3.38 115.31 111.93 1wpk h LEU 94 Ca 0.16 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.10 1wpk h LEU 94 Cb 0.39 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 1wpk h LEU 94 CO 0.01 -0.30 0.32 -1.84 -0.13 0.00 0.00 178.44 176.50 1wpk n GLU 95 N -5.31 0.47 -3.63 1.25 0.28 -1.21 -4.80 120.64 107.69 1wpk n GLU 95 Ca -0.11 -0.72 -0.10 0.00 -0.16 0.00 0.00 57.16 56.07 1wpk n GLU 95 Cb 0.25 -3.28 -0.02 0.00 1.43 0.00 0.00 31.44 29.82 1wpk n GLU 95 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1wpk s GLN 96 N 8.63 1.47 0.17 3.44 0.74 -1.26 -4.98 119.66 127.87 1wpk s GLN 96 Ca 0.99 -0.72 0.01 0.00 0.05 0.00 0.00 55.36 55.69 1wpk s GLN 96 Cb -0.24 0.58 0.03 0.00 1.10 0.00 0.00 33.01 34.47 1wpk s GLN 96 CO 0.16 -0.65 1.40 0.93 -0.55 0.00 0.00 175.29 176.58 1wpk h GLU 97 N 2.04 0.26 -6.74 1.67 5.08 -1.96 -3.45 114.58 111.48 1wpk h GLU 97 Ca -0.28 -0.25 -0.51 0.00 -1.00 0.00 0.00 59.36 57.32 1wpk h GLU 97 Cb 1.28 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.60 1wpk h GLU 97 CO 0.33 0.95 0.46 0.99 -1.00 0.00 0.00 179.01 180.74 1wpk s THR 98 N -3.34 3.69 0.18 1.13 2.01 -1.26 -5.00 115.64 113.05 1wpk s THR 98 Ca -0.04 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 1wpk s THR 98 Cb 0.10 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.50 1wpk s THR 98 CO 0.83 0.34 1.36 -2.16 -0.69 0.00 0.00 174.62 174.30 1wpk s PRO 99 N -0.99 4.34 0.02 4.92 0.04 -1.26 -5.03 135.00 137.04 1wpk s PRO 99 Ca 0.46 2.11 0.05 0.00 0.04 0.00 0.00 61.00 63.65 1wpk s PRO 99 Cb -0.30 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1wpk s PRO 99 CO 0.38 -0.35 -0.14 0.14 0.04 0.00 0.00 177.00 177.07 1wpk s VAL 100 N 0.43 1.11 0.59 -0.36 -7.23 -1.26 -5.16 120.40 108.52 1wpk s VAL 100 Ca 0.60 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 1wpk s VAL 100 Cb -0.38 -0.97 0.06 0.00 0.56 0.00 0.00 36.38 35.65 1wpk s VAL 100 CO 0.36 0.12 0.82 0.42 -0.31 0.00 0.00 175.10 176.51 1wpk s THR 101 N -0.66 2.51 -0.03 5.32 -4.23 -1.26 -5.03 115.64 112.26 1wpk s THR 101 Ca 0.03 -0.70 -0.24 0.00 -1.18 0.00 0.00 61.69 59.60 1wpk s THR 101 Cb -0.07 -2.81 -0.18 0.00 1.34 0.00 0.00 72.50 70.78 1wpk s THR 101 CO 0.01 0.00 1.08 0.25 -0.54 0.00 0.00 174.62 175.42 1wpk h LEU 102 N -0.03 -0.13 -1.93 4.79 6.46 -2.01 -3.17 115.31 119.28 1wpk h LEU 102 Ca -0.39 -0.41 -0.02 0.00 -0.12 0.00 0.00 57.88 56.94 1wpk h LEU 102 Cb 1.29 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1wpk h LEU 102 CO 0.47 0.39 -0.10 1.05 -0.62 0.00 0.00 178.44 179.64 1wpk h GLU 103 N -0.70 0.00 -0.38 1.25 4.11 -1.98 -2.49 114.58 114.38 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 0.53 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1wpk h GLU 103 CO 0.03 0.10 0.10 0.00 0.07 0.00 0.00 179.01 179.30 1wpk h ALA 104 N 1.90 0.43 -0.18 1.06 0.00 -1.95 0.42 119.26 120.94 1wpk h ALA 104 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wpk h ALA 104 Cb 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wpk h ALA 104 CO 0.01 -0.30 -0.03 1.25 0.00 0.00 0.00 179.25 180.18 1wpk h LEU 105 N 0.23 0.25 -1.23 0.00 5.85 -1.48 -0.18 115.31 118.75 1wpk h LEU 105 Ca 0.18 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1wpk h LEU 105 Cb 0.20 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1wpk h LEU 105 CO -0.22 0.32 -0.34 0.00 -0.34 0.00 0.00 178.44 177.87 1wpk h ALA 106 N 1.71 1.18 -0.47 1.25 0.00 -0.52 -2.92 119.26 119.50 1wpk h ALA 106 Ca 0.06 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1wpk h ALA 106 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wpk h ALA 106 CO 0.01 0.42 -0.20 0.22 0.00 0.00 0.00 179.25 179.70 1wpk h ASP 107 N 0.00 0.99 -0.37 0.00 3.58 0.16 -0.20 116.42 120.58 1wpk h ASP 107 Ca -0.00 -0.39 -0.10 0.00 0.42 0.00 0.00 57.03 56.95 1wpk h ASP 107 Cb 0.71 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1wpk h ASP 107 CO 0.04 1.16 -0.14 1.56 -2.88 0.00 0.00 179.24 178.98 1wpk h GLN 108 N 0.82 0.83 0.00 0.28 4.20 -1.33 -2.69 115.11 117.22 1wpk h GLN 108 Ca 0.11 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1wpk h GLN 108 Cb 0.78 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1wpk h GLN 108 CO 0.06 0.92 -0.13 -0.39 -0.67 0.00 0.00 178.83 178.63 1wpk h VAL 109 N 0.74 0.00 -4.06 -0.54 -1.51 -1.44 -3.47 116.25 105.97 1wpk h VAL 109 Ca 0.12 -0.51 -0.27 0.00 -1.23 0.00 0.00 66.70 64.81 1wpk h VAL 109 Cb 0.65 1.42 0.08 0.00 -2.13 0.00 0.00 31.29 31.32 1wpk h VAL 109 CO 0.05 0.00 -0.45 0.00 -1.23 0.00 0.00 177.57 175.94 1wpk n ALA 110 N -1.81 -0.84 -2.47 5.19 0.00 -0.17 -5.02 120.51 115.39 1wpk n ALA 110 Ca 0.05 0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.67 1wpk n ALA 110 Cb 0.44 -3.69 -0.08 0.00 0.00 0.00 0.00 19.45 16.12 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 -5.78 0.83 0.83 0.00 -1.94 -0.70 -5.04 119.30 107.49 1wpk s MET 111 Ca 0.36 -1.04 -0.11 0.00 -1.71 0.00 0.00 55.69 53.19 1wpk s MET 111 Cb -0.16 0.32 0.09 0.00 2.01 0.00 0.00 34.83 37.09 1wpk s MET 111 CO 0.45 -0.25 1.09 -1.12 -0.01 0.00 0.00 175.02 175.18 1wpk s SER 112 N -2.89 4.13 0.64 3.03 0.01 -1.26 -4.49 113.70 112.87 1wpk s SER 112 Ca 0.07 1.52 0.35 0.00 1.31 0.00 0.00 55.95 59.20 1wpk s SER 112 Cb 0.05 -2.24 1.89 0.00 0.21 0.00 0.00 66.02 65.93 1wpk s SER 112 CO -0.09 -2.23 2.06 -0.65 0.41 0.00 0.00 173.24 172.74 1wpk h PRO 113 N -1.27 0.00 -0.24 12.44 0.11 -1.94 -1.05 132.00 140.05 1wpk h PRO 113 Ca -0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 1wpk h PRO 113 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wpk h PRO 113 CO 0.55 0.00 -0.62 0.74 -0.21 0.00 0.00 178.00 178.46 1wpk h PHE 114 N 0.00 1.08 -0.31 0.65 -1.00 -1.99 -1.62 116.94 113.75 1wpk h PHE 114 Ca 0.00 -0.42 -0.13 0.00 2.81 0.00 0.00 57.97 60.23 1wpk h PHE 114 Cb 0.39 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1wpk h PHE 114 CO 0.00 1.25 -0.34 1.25 -1.61 0.00 0.00 178.31 178.86 1wpk h HIS 115 N 0.63 0.79 -0.21 -0.55 2.76 -1.54 -2.08 115.15 114.95 1wpk h HIS 115 Ca -0.01 -0.21 -0.21 0.00 -2.20 0.00 0.00 60.37 57.74 1wpk h HIS 115 Cb 1.24 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 30.03 1wpk h HIS 115 CO 0.08 0.92 -0.69 1.25 -1.30 0.00 0.00 177.93 178.19 1wpk h LEU 116 N 0.57 0.97 0.26 0.26 5.85 -1.53 -2.67 115.31 119.02 1wpk h LEU 116 Ca 0.06 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1wpk h LEU 116 Cb 0.85 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1wpk h LEU 116 CO 0.07 1.39 -0.13 -0.74 -0.34 0.00 0.00 178.44 178.70 1wpk h HIS 117 N 0.60 -0.33 -0.96 1.25 2.76 -1.24 0.18 115.15 117.41 1wpk h HIS 117 Ca -0.03 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.21 1wpk h HIS 117 Cb 1.31 0.11 -0.07 0.00 1.55 0.00 0.00 27.41 30.32 1wpk h HIS 117 CO 0.08 -0.07 0.62 0.00 -1.30 0.00 0.00 177.93 177.26 1wpk h ARG 118 N -0.56 1.03 -0.19 5.26 2.47 -1.46 0.56 114.38 121.49 1wpk h ARG 118 Ca -0.04 -0.06 -0.21 0.00 -1.26 0.00 0.00 59.98 58.41 1wpk h ARG 118 Cb 0.41 -0.23 0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1wpk h ARG 118 CO 0.06 0.68 -0.70 1.25 0.56 0.00 0.00 179.97 181.82 1wpk h LEU 119 N 1.06 0.95 -0.48 3.04 5.85 -1.36 -2.23 115.31 122.13 1wpk h LEU 119 Ca 0.43 -0.60 -0.16 0.00 0.84 0.00 0.00 57.88 58.38 1wpk h LEU 119 Cb 0.26 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1wpk h LEU 119 CO -0.18 1.39 -0.53 0.15 -0.34 0.00 0.00 178.44 178.94 1wpk h PHE 120 N 0.56 0.80 -0.15 1.25 3.57 0.07 -2.50 116.94 120.55 1wpk h PHE 120 Ca -0.03 -0.28 -0.12 0.00 3.53 0.00 0.00 57.97 61.07 1wpk h PHE 120 Cb 1.33 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1wpk h PHE 120 CO 0.08 1.03 -0.43 -0.22 -2.23 0.00 0.00 178.31 176.54 1wpk h LYS 121 N 0.50 0.36 0.00 1.11 3.64 0.07 0.90 116.57 123.15 1wpk h LYS 121 Ca 0.02 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 1wpk h LYS 121 Cb 1.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1wpk h LYS 121 CO 0.10 0.73 -0.46 0.00 -2.27 0.00 0.00 179.45 177.55 1wpk h ALA 122 N 1.25 0.84 0.00 5.00 0.00 -1.32 0.26 119.26 125.29 1wpk h ALA 122 Ca 0.02 -0.42 -0.37 0.00 0.00 0.00 0.00 54.91 54.15 1wpk h ALA 122 Cb 0.89 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1wpk h ALA 122 CO 0.07 0.58 -2.38 -2.37 0.00 0.00 0.00 179.25 175.15 1wpk n THR 123 N -3.42 1.38 -0.04 0.00 5.66 -0.95 -4.76 114.28 112.16 1wpk n THR 123 Ca 0.01 -0.79 -0.07 0.00 -3.05 0.00 0.00 64.05 60.14 1wpk n THR 123 Cb 0.61 -0.63 -0.03 0.00 -1.55 0.00 0.00 70.33 68.73 1wpk n THR 123 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1wpk n THR 124 N -2.83 0.42 -2.58 1.09 -2.24 0.31 -5.06 114.28 103.39 1wpk n THR 124 Ca -0.35 -0.13 -0.04 0.00 -2.27 0.00 0.00 64.05 61.26 1wpk n THR 124 Cb 1.12 -1.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.11 1wpk n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpk n GLY 125 N 2.78 0.53 2.26 3.38 0.00 0.91 -4.96 105.19 110.10 1wpk n GLY 125 Ca -0.14 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.48 0.80 -4.56 1.61 2.81 -1.26 -5.00 117.12 110.04 1wpk n MET 126 Ca -0.02 -2.32 -0.26 0.00 -1.81 0.00 0.00 57.70 53.29 1wpk n MET 126 Cb 0.52 1.13 -0.11 0.00 -0.71 0.00 0.00 33.22 34.05 1wpk n MET 126 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1wpk s THR 127 N -2.49 1.79 0.26 2.03 -4.23 -1.26 -4.69 115.64 107.05 1wpk s THR 127 Ca 0.11 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1wpk s THR 127 Cb 0.01 -2.87 0.24 0.00 1.34 0.00 0.00 72.50 71.21 1wpk s THR 127 CO 0.08 -0.04 1.75 -0.65 -0.54 0.00 0.00 174.62 175.22 1wpk h PRO 128 N 1.92 0.56 -0.17 3.99 0.11 -2.02 0.37 132.00 136.76 1wpk h PRO 128 Ca -0.43 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1wpk h PRO 128 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1wpk h PRO 128 CO 0.76 0.37 0.01 0.87 -0.21 0.00 0.00 178.00 179.81 1wpk h LYS 129 N 0.58 0.30 -0.05 1.05 1.57 -1.98 0.23 116.57 118.27 1wpk h LYS 129 Ca 0.46 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 59.08 1wpk h LYS 129 Cb 0.66 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1wpk h LYS 129 CO -0.37 0.49 -0.29 0.00 -0.57 0.00 0.00 179.45 178.71 1wpk h ALA 130 N 0.79 1.42 0.08 3.86 0.00 -1.75 0.30 119.26 123.98 1wpk h ALA 130 Ca 0.05 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1wpk h ALA 130 Cb 0.35 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1wpk h ALA 130 CO 0.01 0.42 -0.95 2.35 0.00 0.00 0.00 179.25 181.08 1wpk h TRP 131 N 0.08 0.79 -0.11 0.00 7.01 -0.10 -2.45 115.95 121.17 1wpk h TRP 131 Ca 0.01 -0.49 -0.13 0.00 2.11 0.00 0.00 58.89 60.39 1wpk h TRP 131 Cb 0.56 -0.07 0.01 0.00 -2.10 0.00 0.00 29.16 27.56 1wpk h TRP 131 CO 0.00 1.34 -0.45 1.96 -2.79 0.00 0.00 178.44 178.50 1wpk h GLN 132 N 0.02 0.51 0.00 2.65 4.20 -0.41 -3.14 115.11 118.94 1wpk h GLN 132 Ca -0.14 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 1wpk h GLN 132 Cb 1.66 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.51 1wpk h GLN 132 CO 0.18 1.02 -0.18 0.37 -0.67 0.00 0.00 178.83 179.55 1wpk h GLN 133 N 0.10 0.00 -0.79 1.46 4.15 -0.52 -2.83 115.11 116.68 1wpk h GLN 133 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1wpk h GLN 133 Cb 1.09 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.74 1wpk h GLN 133 CO 0.09 0.18 0.43 0.00 -1.93 0.00 0.00 178.83 177.61 1wpk h ALA 134 N 1.82 1.02 -0.43 3.38 0.00 -1.38 0.28 119.26 123.94 1wpk h ALA 134 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1wpk h ALA 134 Cb 0.49 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1wpk h ALA 134 CO 0.02 0.54 -0.02 2.35 0.00 0.00 0.00 179.25 182.14 1wpk h TRP 135 N 1.10 0.84 -0.31 0.00 7.01 -1.56 0.11 115.95 123.15 1wpk h TRP 135 Ca 0.28 -0.15 -0.15 0.00 2.11 0.00 0.00 58.89 60.97 1wpk h TRP 135 Cb 0.04 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 1wpk h TRP 135 CO 0.00 0.84 -0.42 -0.09 -2.79 0.00 0.00 178.44 175.98 1wpk h ARG 136 N 0.60 0.76 -0.08 2.65 2.43 -1.48 -1.48 114.38 117.79 1wpk h ARG 136 Ca 0.12 -0.41 -0.15 0.00 -0.81 0.00 0.00 59.98 58.73 1wpk h ARG 136 Cb 0.51 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1wpk h ARG 136 CO 0.03 1.04 -0.61 0.00 -1.51 0.00 0.00 179.97 178.91 1wpk h ALA 137 N 0.91 0.82 -0.01 2.80 0.00 -0.34 -2.72 119.26 120.72 1wpk h ALA 137 Ca 0.05 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1wpk h ALA 137 Cb 0.98 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1wpk h ALA 137 CO 0.09 0.73 -0.79 -0.09 0.00 0.00 0.00 179.25 179.19 1wpk h ARG 138 N 0.20 0.14 -0.05 0.00 1.12 -0.68 -1.43 114.38 113.68 1wpk h ARG 138 Ca -0.01 -0.14 -0.13 0.00 -1.11 0.00 0.00 59.98 58.59 1wpk h ARG 138 Cb 1.12 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.10 1wpk h ARG 138 CO 0.10 0.86 -0.55 0.00 -3.11 0.00 0.00 179.97 177.27 1wpk h ARG 139 N 0.09 0.15 0.11 0.20 3.08 -1.18 -2.19 114.38 114.64 1wpk h ARG 139 Ca -0.03 -0.09 -0.30 0.00 0.07 0.00 0.00 59.98 59.63 1wpk h ARG 139 Cb 1.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 1wpk h ARG 139 CO 0.12 0.66 -1.46 1.25 -1.07 0.00 0.00 179.97 179.47 1wpk h LEU 140 N 0.12 0.38 -0.79 3.04 5.85 -1.44 -3.12 115.31 119.34 1wpk h LEU 140 Ca -0.00 -0.49 -0.10 0.00 0.84 0.00 0.00 57.88 58.13 1wpk h LEU 140 Cb 1.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1wpk h LEU 140 CO 0.08 1.41 -0.13 -0.09 -0.34 0.00 0.00 178.44 179.36 1wpk h ARG 141 N 0.07 0.77 -0.14 1.25 1.12 -1.22 -2.88 114.38 113.34 1wpk h ARG 141 Ca -0.21 -0.27 -0.14 0.00 -1.11 0.00 0.00 59.98 58.25 1wpk h ARG 141 Cb 2.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.89 1wpk h ARG 141 CO 0.17 0.87 -0.52 0.93 -3.11 0.00 0.00 179.97 178.30 1wpk h GLU 142 N 0.69 0.41 -5.22 0.20 4.39 -1.50 -3.49 114.58 110.06 1wpk h GLU 142 Ca 0.11 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1wpk h GLU 142 Cb 0.62 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1wpk h GLU 142 CO 0.04 0.83 -0.83 0.45 -1.16 0.00 0.00 179.01 178.34 1wpk n SER 143 N -3.95 -7.99 -0.10 1.42 2.88 -1.09 -4.98 113.62 99.81 1wpk n SER 143 Ca -0.02 1.11 -0.13 0.00 -1.33 0.00 0.00 58.87 58.49 1wpk n SER 143 Cb 0.57 -5.29 -0.15 0.00 -0.75 0.00 0.00 64.21 58.60 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 0.36 1.11 -4.83 2.46 7.94 -1.26 -4.94 117.00 117.85 1wpk n LEU 144 Ca 0.04 -0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.57 1wpk n LEU 144 Cb 0.17 -0.04 -0.07 0.00 0.53 0.00 0.00 43.42 44.02 1wpk n LEU 144 CO 0.45 0.64 -0.20 0.00 -1.11 0.00 0.00 177.39 177.18 1wpk s ALA 145 N -2.51 3.75 0.00 1.96 0.00 -1.26 -5.26 121.76 118.44 1wpk s ALA 145 Ca -0.18 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1wpk s ALA 145 Cb 0.07 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1wpk s ALA 145 CO 0.76 0.58 0.45 1.17 0.00 0.00 0.00 175.76 178.72