#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 -3.69 -3.78 2.12 5.02 -1.26 -4.98 118.16 111.59 1wpk n LYS 2 Ca 0.00 2.91 -0.35 0.00 -2.02 0.00 0.00 58.31 58.85 1wpk n LYS 2 Cb 0.00 -5.29 -0.11 0.00 -0.02 0.00 0.00 35.03 29.61 1wpk n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wpk s LYS 3 N -1.44 2.30 -0.24 1.97 2.36 -1.26 -5.06 119.74 118.38 1wpk s LYS 3 Ca -0.05 -2.38 -0.04 0.00 -2.55 0.00 0.00 55.97 50.95 1wpk s LYS 3 Cb 0.00 -3.61 0.00 0.00 -1.05 0.00 0.00 37.83 33.18 1wpk s LYS 3 CO 0.78 -1.13 -0.03 0.00 1.55 0.00 0.00 175.35 176.52 1wpk s ALA 4 N 0.17 2.82 -0.06 3.13 0.00 -1.26 -5.02 121.76 121.55 1wpk s ALA 4 Ca 0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 1wpk s ALA 4 Cb -0.22 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 1wpk s ALA 4 CO -0.03 -0.61 0.14 0.00 0.00 0.00 0.00 175.76 175.26 1wpk h THR 5 N 5.85 0.00 0.00 0.00 1.03 -1.94 -3.50 112.91 114.34 1wpk h THR 5 Ca -0.38 -0.61 0.00 0.00 -0.01 0.00 0.00 66.41 65.41 1wpk h THR 5 Cb 1.14 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 1wpk h THR 5 CO 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.11 1wpk n LEU 7 N 0.00 0.33 -3.84 0.00 7.99 -1.26 -4.72 117.00 115.50 1wpk n LEU 7 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.92 1wpk n LEU 7 Cb 0.00 -0.60 -0.03 0.00 -0.11 0.00 0.00 43.42 42.69 1wpk n LEU 7 CO 0.00 -0.19 0.41 0.28 -1.51 0.00 0.00 177.39 176.38 1wpk s THR 8 N -2.81 0.00 0.17 -5.08 -1.32 -1.26 -5.05 115.64 100.29 1wpk s THR 8 Ca 0.00 -0.98 -0.05 0.00 -1.21 0.00 0.00 61.69 59.45 1wpk s THR 8 Cb 0.00 -1.94 -0.08 0.00 -1.51 0.00 0.00 72.50 68.97 1wpk s THR 8 CO 0.00 -0.01 1.45 0.44 -2.21 0.00 0.00 174.62 174.29 1wpk h ASP 9 N 2.05 0.66 -0.16 8.08 3.32 -1.99 -2.34 116.42 126.04 1wpk h ASP 9 Ca -0.22 -0.38 -0.11 0.00 0.02 0.00 0.00 57.03 56.34 1wpk h ASP 9 Cb 1.25 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1wpk h ASP 9 CO 0.27 1.12 -0.34 0.44 -1.72 0.00 0.00 179.24 179.01 1wpk h ASP 10 N 0.43 0.58 -0.11 6.45 5.19 -1.97 -1.59 116.42 125.39 1wpk h ASP 10 Ca -0.01 -0.56 -0.13 0.00 -0.62 0.00 0.00 57.03 55.72 1wpk h ASP 10 Cb 1.19 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 1wpk h ASP 10 CO 0.12 1.03 -0.35 -0.61 -3.12 0.00 0.00 179.24 176.31 1wpk h GLN 11 N 0.15 0.61 -0.13 3.56 -0.00 -1.85 -2.76 115.11 114.69 1wpk h GLN 11 Ca 0.00 -0.29 -0.09 0.00 -0.00 0.00 0.00 58.65 58.27 1wpk h GLN 11 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.41 1wpk h GLN 11 CO 0.07 0.88 -0.27 0.07 0.00 0.00 0.00 178.83 179.58 1wpk h ARG 12 N 0.52 0.42 -0.14 1.69 0.11 -1.45 -3.00 114.38 112.53 1wpk h ARG 12 Ca 0.05 -0.27 0.04 0.00 0.10 0.00 0.00 59.98 59.90 1wpk h ARG 12 Cb 0.85 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.96 1wpk h ARG 12 CO 0.07 0.87 0.13 2.35 0.10 0.00 0.00 179.97 183.50 1wpk h TRP 13 N 0.01 0.00 0.44 4.08 -0.00 -1.27 -2.39 115.95 116.82 1wpk h TRP 13 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.88 1wpk h TRP 13 Cb 0.86 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.02 1wpk h TRP 13 CO 0.10 0.00 -0.24 1.96 -0.00 0.00 0.00 178.44 180.26 1wpk h GLN 14 N 0.00 -0.61 -0.94 2.65 4.20 -1.33 -1.05 115.11 118.02 1wpk h GLN 14 Ca 0.06 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.93 1wpk h GLN 14 Cb 0.33 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.16 1wpk h GLN 14 CO -0.00 -0.41 0.58 0.77 -0.67 0.00 0.00 178.83 179.10 1wpk h SER 15 N -0.64 0.84 -0.60 1.46 0.02 -1.50 0.51 113.55 113.65 1wpk h SER 15 Ca -0.05 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1wpk h SER 15 Cb 0.51 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1wpk h SER 15 CO 0.07 0.46 0.34 0.58 -1.14 0.00 0.00 176.83 177.15 1wpk h VAL 16 N 0.93 1.19 -0.09 2.27 2.07 -1.40 0.14 116.25 121.37 1wpk h VAL 16 Ca 0.46 -0.45 -0.15 0.00 0.82 0.00 0.00 66.70 67.38 1wpk h VAL 16 Cb 0.43 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1wpk h VAL 16 CO -0.26 0.20 -0.61 -0.07 0.02 0.00 0.00 177.57 176.85 1wpk h LEU 17 N 0.82 0.34 -0.95 2.57 3.38 0.14 -3.00 115.31 118.61 1wpk h LEU 17 Ca 0.21 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1wpk h LEU 17 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1wpk h LEU 17 CO -0.04 0.87 -0.51 0.00 0.09 0.00 0.00 178.44 178.85 1wpk h ALA 18 N 1.13 1.13 -2.74 1.53 0.00 0.48 -3.47 119.26 117.32 1wpk h ALA 18 Ca -0.01 -0.47 -0.33 0.00 0.00 0.00 0.00 54.91 54.11 1wpk h ALA 18 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wpk h ALA 18 CO 0.10 0.64 -0.44 0.54 0.00 0.00 0.00 179.25 180.09 1wpk n ARG 19 N -3.93 -2.12 -1.66 0.00 1.74 0.45 -4.90 116.66 106.24 1wpk n ARG 19 Ca -0.02 0.77 -0.43 0.00 -0.77 0.00 0.00 57.85 57.41 1wpk n ARG 19 Cb 0.53 -5.20 -0.03 0.00 -1.02 0.00 0.00 32.46 26.74 1wpk n ARG 19 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wpk s ASP 20 N -2.42 5.44 0.37 0.55 -1.08 -1.23 -4.82 116.67 113.48 1wpk s ASP 20 Ca 0.08 1.74 0.27 0.00 -0.52 0.00 0.00 52.55 54.11 1wpk s ASP 20 Cb -0.03 -2.51 1.30 0.00 -1.46 0.00 0.00 42.92 40.21 1wpk s ASP 20 CO 0.09 -2.00 1.81 1.55 0.52 0.00 0.00 175.17 177.15 1wpk h PRO 21 N 15.08 0.00 -1.03 4.34 0.13 -1.95 -2.44 132.00 146.13 1wpk h PRO 21 Ca -0.39 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.21 1wpk h PRO 21 Cb 1.23 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 1wpk h PRO 21 CO 0.99 0.00 0.69 0.09 -0.23 0.00 0.00 178.00 179.53 1wpk n ASN 22 N -2.46 5.21 -1.72 1.44 4.13 -1.26 -4.48 115.26 116.12 1wpk n ASN 22 Ca -0.00 -3.56 -0.07 0.00 1.68 0.00 0.00 54.58 52.63 1wpk n ASN 22 Cb 0.14 -0.88 0.21 0.00 -1.54 0.00 0.00 39.78 37.71 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wpk n ALA 23 N -0.90 4.19 -1.54 5.41 0.00 -0.92 -4.91 120.51 121.83 1wpk n ALA 23 Ca 0.56 -1.77 -0.24 0.00 0.00 0.00 0.00 53.44 51.99 1wpk n ALA 23 Cb 1.21 -1.22 -0.09 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.17 1.24 0.00 0.00 5.68 -1.26 0.91 116.55 122.95 1wpk n ASP 24 Ca 0.33 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.75 1wpk n ASP 24 Cb 1.17 -1.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1wpk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wpk n GLY 25 N 6.33 0.76 0.00 6.12 0.00 -1.26 -4.95 105.19 112.18 1wpk n GLY 25 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1wpk n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wpk n GLU 26 N 0.00 0.00 -3.60 1.61 -0.58 0.26 -4.94 120.64 113.39 1wpk n GLU 26 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1wpk n GLU 26 Cb 0.00 -0.43 -0.05 0.00 -0.57 0.00 0.00 31.44 30.39 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 -0.12 -0.35 -0.01 -0.32 -0.12 -1.19 -4.71 117.98 111.17 1wpk s PHE 27 Ca 0.00 0.65 -0.15 0.00 -0.05 0.00 0.00 56.93 57.38 1wpk s PHE 27 Cb 0.00 0.44 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 1wpk s PHE 27 CO 0.00 -0.28 0.41 0.14 -0.05 0.00 0.00 175.22 175.44 1wpk s VAL 28 N -0.83 5.04 -0.37 -2.49 -7.23 0.23 -3.76 120.40 110.99 1wpk s VAL 28 Ca 0.00 0.85 -0.21 0.00 -1.81 0.00 0.00 61.98 60.82 1wpk s VAL 28 Cb -0.01 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.21 1wpk s VAL 28 CO -0.01 0.56 0.64 -0.36 -0.31 0.00 0.00 175.10 175.62 1wpk s PHE 29 N -0.93 3.13 -0.18 2.82 0.08 -1.26 -2.22 117.98 119.42 1wpk s PHE 29 Ca 0.24 0.29 -0.22 0.00 0.12 0.00 0.00 56.93 57.36 1wpk s PHE 29 Cb -0.17 -3.19 -0.02 0.00 -0.57 0.00 0.00 43.02 39.07 1wpk s PHE 29 CO 0.13 -0.67 0.67 0.00 -0.10 0.00 0.00 175.22 175.25 1wpk s ALA 30 N 2.75 3.52 -0.28 5.36 0.00 0.92 -3.97 121.76 130.06 1wpk s ALA 30 Ca 0.24 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 1wpk s ALA 30 Cb -0.14 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1wpk s ALA 30 CO 0.16 -0.52 0.22 0.08 0.00 0.00 0.00 175.76 175.69 1wpk s VAL 31 N 1.84 5.29 -0.09 0.00 1.01 0.35 -0.79 120.40 128.01 1wpk s VAL 31 Ca 0.31 0.23 0.14 0.00 0.00 0.00 0.00 61.98 62.65 1wpk s VAL 31 Cb -0.16 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1wpk s VAL 31 CO 0.11 0.23 1.24 -0.09 0.00 0.00 0.00 175.10 176.60 1wpk h ARG 32 N 8.34 0.00 -0.05 2.72 1.12 -1.82 1.22 114.38 125.90 1wpk h ARG 32 Ca -0.34 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.36 1wpk h ARG 32 Cb 1.19 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.14 1wpk h ARG 32 CO 0.56 0.56 -0.70 1.79 -3.11 0.00 0.00 179.97 179.08 1wpk h THR 33 N 0.00 1.41 0.00 0.20 1.35 -1.93 -3.33 112.91 110.61 1wpk h THR 33 Ca -0.05 -2.17 -0.09 0.00 -0.55 0.00 0.00 66.41 63.55 1wpk h THR 33 Cb 1.54 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 70.08 1wpk h THR 33 CO 0.08 0.64 -1.53 0.35 -0.25 0.00 0.00 175.52 174.80 1wpk n THR 34 N -3.81 0.32 -2.50 6.82 -2.24 -1.24 -5.03 114.28 106.60 1wpk n THR 34 Ca -0.03 -0.31 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 1wpk n THR 34 Cb 0.68 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1wpk n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpk n GLY 35 N 2.21 0.78 3.28 3.38 0.00 0.42 -4.91 105.19 110.34 1wpk n GLY 35 Ca -0.09 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 1wpk n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wpk s ILE 36 N -2.89 1.54 0.16 -0.61 -4.36 -0.94 0.09 121.20 114.18 1wpk s ILE 36 Ca 0.04 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 1wpk s ILE 36 Cb -0.02 -1.63 -0.00 0.00 1.25 0.00 0.00 42.46 42.06 1wpk s ILE 36 CO 0.04 -0.34 0.01 2.22 0.24 0.00 0.00 174.94 177.12 1wpk n PHE 37 N 0.53 0.31 -2.56 1.37 1.16 0.36 0.13 117.46 118.76 1wpk n PHE 37 Ca -0.15 -0.82 -0.22 0.00 -1.87 0.00 0.00 57.45 54.38 1wpk n PHE 37 Cb 0.57 -0.08 0.04 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 -2.58 2.49 0.26 3.97 1.81 -1.18 -1.19 118.95 122.53 1wpk s ARG 39 Ca 0.02 -0.66 -0.07 0.00 -1.72 0.00 0.00 55.73 53.30 1wpk s ARG 39 Cb 0.00 -2.42 0.47 0.00 -0.45 0.00 0.00 34.95 32.55 1wpk s ARG 39 CO 0.01 -0.81 1.60 -1.35 -0.68 0.00 0.00 175.30 174.08 1wpk h PRO 40 N -0.06 0.04 0.00 3.54 0.11 -1.76 -3.39 132.00 130.49 1wpk h PRO 40 Ca -0.43 -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 0.45 -0.21 0.00 0.00 178.00 178.81 1wpk n SER 41 N -5.46 0.00 -0.82 -2.05 2.88 -1.26 -3.18 113.62 103.74 1wpk n SER 41 Ca 0.15 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.73 1wpk n SER 41 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 1wpk n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wpk n ARG 43 N -2.57 0.00 -2.49 0.00 0.00 -1.26 -4.69 116.66 105.64 1wpk n ARG 43 Ca -0.02 -0.93 -0.43 0.00 -0.00 0.00 0.00 57.85 56.47 1wpk n ARG 43 Cb 0.31 0.06 -0.02 0.00 -0.00 0.00 0.00 32.46 32.80 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wpk s ALA 44 N 0.00 3.58 -0.53 2.89 0.00 -1.26 -4.93 121.76 121.51 1wpk s ALA 44 Ca 0.07 0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.25 1wpk s ALA 44 Cb 0.08 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1wpk s ALA 44 CO -0.04 -0.95 2.43 0.54 0.00 0.00 0.00 175.76 177.74 1wpk n ARG 45 N 5.88 0.97 -3.66 0.00 5.12 -1.26 -4.87 116.66 118.84 1wpk n ARG 45 Ca 0.12 -0.08 -0.14 0.00 -1.93 0.00 0.00 57.85 55.82 1wpk n ARG 45 Cb 0.46 -3.43 -0.08 0.00 -1.16 0.00 0.00 32.46 28.25 1wpk n ARG 45 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1wpk s HIS 46 N 12.41 -0.69 0.10 -1.55 2.46 -1.26 -5.10 115.29 121.66 1wpk s HIS 46 Ca 0.99 1.68 0.00 0.00 0.47 0.00 0.00 55.06 58.20 1wpk s HIS 46 Cb -0.19 0.24 0.00 0.00 -0.13 0.00 0.00 32.58 32.49 1wpk s HIS 46 CO 0.25 -0.33 0.00 0.00 -2.47 0.00 0.00 174.74 172.19 1wpk n ALA 47 N 2.73 -2.27 -1.16 1.58 0.00 -1.26 -4.99 120.51 115.14 1wpk n ALA 47 Ca -0.14 0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1wpk n ALA 47 Cb 0.56 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.88 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 1.41 0.00 -2.93 0.00 4.77 -1.26 -4.75 117.00 114.24 1wpk n LEU 48 Ca 0.00 -0.30 -0.27 0.00 -0.03 0.00 0.00 56.01 55.41 1wpk n LEU 48 Cb 0.00 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1wpk n LEU 48 CO 0.00 -0.81 2.65 -1.14 -1.33 0.00 0.00 177.39 176.77 1wpk n ARG 49 N -1.71 2.81 0.00 3.23 0.63 -1.26 -2.92 116.66 117.44 1wpk n ARG 49 Ca 0.03 -1.67 0.00 0.00 -0.92 0.00 0.00 57.85 55.29 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 3.43 0.00 -0.94 -0.14 0.28 -1.26 -4.95 120.64 117.06 1wpk n GLU 50 Ca 0.60 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.49 1wpk n GLU 50 Cb 0.37 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.45 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 -0.47 4.08 -4.24 -1.84 3.02 -1.15 -4.92 115.26 109.74 1wpk n ASN 51 Ca 0.00 -3.16 -0.16 0.00 -0.03 0.00 0.00 54.58 51.24 1wpk n ASN 51 Cb 0.00 -0.74 -0.11 0.00 -0.61 0.00 0.00 39.78 38.32 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 -2.66 1.22 -0.07 2.41 0.11 -1.23 -2.77 120.40 117.41 1wpk s VAL 52 Ca 0.47 -1.87 0.02 0.00 -2.93 0.00 0.00 61.98 57.66 1wpk s VAL 52 Cb 0.38 -1.66 0.02 0.00 -1.53 0.00 0.00 36.38 33.59 1wpk s VAL 52 CO 0.11 -0.59 -0.10 -0.44 -3.33 0.00 0.00 175.10 170.75 1wpk s SER 53 N -2.79 1.72 -0.20 3.54 0.01 0.03 -4.93 113.70 111.08 1wpk s SER 53 Ca 0.12 -0.27 -0.19 0.00 1.31 0.00 0.00 55.95 56.92 1wpk s SER 53 Cb -0.01 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 1wpk s SER 53 CO 0.02 -0.01 0.54 0.72 0.41 0.00 0.00 173.24 174.92 1wpk s PHE 54 N 0.92 3.37 -0.02 2.43 -0.12 -1.26 -0.06 117.98 123.24 1wpk s PHE 54 Ca -0.10 0.80 0.06 0.00 -0.05 0.00 0.00 56.93 57.64 1wpk s PHE 54 Cb -0.15 -2.70 -0.01 0.00 -0.63 0.00 0.00 43.02 39.53 1wpk s PHE 54 CO 0.01 -0.12 -0.19 0.71 -0.05 0.00 0.00 175.22 175.58 1wpk s TYR 55 N 1.69 1.70 0.17 3.49 2.02 -0.94 -4.99 117.35 120.49 1wpk s TYR 55 Ca 0.25 -0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.47 1wpk s TYR 55 Cb -0.16 -1.10 0.06 0.00 -0.40 0.00 0.00 41.96 40.36 1wpk s TYR 55 CO 0.10 -0.05 1.72 0.00 -1.57 0.00 0.00 175.55 175.75 1wpk h ALA 56 N 5.76 0.72 -2.38 3.71 0.00 -1.88 0.69 119.26 125.89 1wpk h ALA 56 Ca -0.37 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.05 1wpk h ALA 56 Cb 1.15 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 1wpk h ALA 56 CO 0.48 0.33 -0.61 1.21 0.00 0.00 0.00 179.25 180.66 1wpk s ASN 57 N -6.04 1.04 0.24 0.00 3.84 -1.26 -4.20 114.94 108.55 1wpk s ASN 57 Ca -0.13 -1.40 0.02 0.00 0.21 0.00 0.00 52.86 51.57 1wpk s ASN 57 Cb 0.12 0.22 0.26 0.00 -0.55 0.00 0.00 41.25 41.30 1wpk s ASN 57 CO 0.79 -0.76 1.58 0.00 -2.79 0.00 0.00 177.10 175.92 1wpk h ALA 58 N 2.41 0.87 -0.02 1.71 0.00 -1.97 -2.93 119.26 119.33 1wpk h ALA 58 Ca -0.38 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 1wpk h ALA 58 Cb 1.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1wpk h ALA 58 CO 0.59 0.67 -0.02 1.03 0.00 0.00 0.00 179.25 181.52 1wpk h SER 59 N 0.28 0.02 0.06 0.00 0.87 -1.97 1.00 113.55 113.82 1wpk h SER 59 Ca 0.01 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1wpk h SER 59 Cb 1.01 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1wpk h SER 59 CO 0.09 0.05 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.07 1wpk h GLU 60 N 0.02 -0.08 -0.14 2.24 4.39 -1.94 -2.22 114.58 116.86 1wpk h GLU 60 Ca 0.01 0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 1wpk h GLU 60 Cb 0.05 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1wpk h GLU 60 CO 0.00 0.52 -0.62 0.00 -1.16 0.00 0.00 179.01 177.75 1wpk h ALA 61 N -0.05 0.67 -0.36 3.43 0.00 -1.42 -3.00 119.26 118.53 1wpk h ALA 61 Ca -0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1wpk h ALA 61 Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1wpk h ALA 61 CO 0.01 0.71 0.05 1.25 0.00 0.00 0.00 179.25 181.28 1wpk h LEU 62 N 0.35 0.58 -1.12 0.00 6.46 0.93 -2.90 115.31 119.62 1wpk h LEU 62 Ca -0.01 -0.27 0.03 0.00 -0.12 0.00 0.00 57.88 57.51 1wpk h LEU 62 Cb 1.17 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.90 1wpk h LEU 62 CO 0.11 0.70 0.60 0.00 -0.62 0.00 0.00 178.44 179.23 1wpk h ALA 63 N 0.90 1.41 -0.02 1.25 0.00 -1.40 -0.31 119.26 121.09 1wpk h ALA 63 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wpk h ALA 63 Cb 0.38 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wpk h ALA 63 CO 0.01 0.51 0.05 0.00 0.00 0.00 0.00 179.25 179.82 1wpk h ALA 64 N 1.46 1.25 0.00 0.00 0.00 -1.37 -3.45 119.26 117.16 1wpk h ALA 64 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wpk h ALA 64 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wpk h ALA 64 CO -0.10 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1wpk n GLY 65 N -1.19 0.85 3.24 0.00 0.00 -0.14 -5.13 105.19 102.83 1wpk n GLY 65 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.97 2.20 0.15 1.61 0.40 -1.15 -4.89 117.98 115.34 1wpk s PHE 66 Ca 0.00 -0.58 -0.30 0.00 -0.60 0.00 0.00 56.93 55.45 1wpk s PHE 66 Cb 0.00 -1.44 -0.07 0.00 0.51 0.00 0.00 43.02 42.02 1wpk s PHE 66 CO 0.00 -0.15 0.98 1.03 0.70 0.00 0.00 175.22 177.77 1wpk s ARG 67 N -0.24 4.72 0.46 0.44 0.52 0.11 -4.44 118.95 120.53 1wpk s ARG 67 Ca 0.00 1.50 -0.22 0.00 -0.52 0.00 0.00 55.73 56.49 1wpk s ARG 67 Cb -0.12 -3.34 -0.08 0.00 0.52 0.00 0.00 34.95 31.94 1wpk s ARG 67 CO 0.02 0.27 1.10 -1.25 0.02 0.00 0.00 175.30 175.46 1wpk s PRO 68 N -0.36 3.81 -0.21 3.54 0.04 -1.26 0.13 135.00 140.70 1wpk s PRO 68 Ca 0.46 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.11 1wpk s PRO 68 Cb -0.25 -2.32 0.04 0.00 0.04 0.00 0.00 34.50 32.02 1wpk s PRO 68 CO 0.31 -0.46 -0.13 0.00 0.04 0.00 0.00 177.00 176.76 1wpk n LYS 70 N 4.60 0.57 -1.01 0.00 4.01 -1.26 -3.10 118.16 121.97 1wpk n LYS 70 Ca -0.16 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1wpk n LYS 70 Cb 0.46 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 34.98 1wpk n LYS 70 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1wpk n ARG 71 N -0.79 -0.40 -0.78 1.97 0.00 -1.26 -4.86 116.66 110.54 1wpk n ARG 71 Ca 0.00 0.13 0.05 0.00 -0.00 0.00 0.00 57.85 58.03 1wpk n ARG 71 Cb 0.00 -3.46 0.10 0.00 0.00 0.00 0.00 32.46 29.10 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wpk n GLN 73 N -0.48 -4.65 0.00 0.00 6.02 -1.26 -3.20 117.38 113.80 1wpk n GLN 73 Ca 0.11 3.37 0.00 0.00 -0.01 0.00 0.00 57.00 60.48 1wpk n GLN 73 Cb 0.83 -4.31 0.00 0.00 1.02 0.00 0.00 30.24 27.78 1wpk n GLN 73 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1wpk n PRO 74 N 1.87 -0.58 0.09 -1.09 -0.04 -1.26 -4.28 135.00 129.72 1wpk n PRO 74 Ca -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.32 1wpk n PRO 74 Cb 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.38 1wpk n PRO 74 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wpk h GLU 75 N 0.00 0.22 -3.95 0.54 4.81 -1.95 -3.41 114.58 110.84 1wpk h GLU 75 Ca 0.00 -0.33 -0.73 0.00 -0.13 0.00 0.00 59.36 58.16 1wpk h GLU 75 Cb 0.00 0.12 -0.30 0.00 0.63 0.00 0.00 28.75 29.20 1wpk h GLU 75 CO 0.00 1.13 -0.25 0.15 -0.73 0.00 0.00 179.01 179.30 1wpk s LYS 76 N -2.80 2.80 -0.40 1.92 1.02 -1.26 -4.68 119.74 116.34 1wpk s LYS 76 Ca -0.03 -2.18 0.07 0.00 0.02 0.00 0.00 55.97 53.85 1wpk s LYS 76 Cb 0.08 -4.00 0.18 0.00 -0.52 0.00 0.00 37.83 33.57 1wpk s LYS 76 CO 0.86 -1.22 0.59 0.00 -0.92 0.00 0.00 175.35 174.66 1wpk s ALA 77 N 0.61 -2.05 -0.40 5.17 0.00 -1.26 -5.11 121.76 118.72 1wpk s ALA 77 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 1wpk s ALA 77 Cb -0.20 -2.63 0.09 0.00 0.00 0.00 0.00 23.12 20.38 1wpk s ALA 77 CO -0.04 -2.21 0.19 -0.80 0.00 0.00 0.00 175.76 172.91 1wpk s ASN 78 N 1.78 5.30 0.01 0.00 0.02 -1.26 -4.95 114.94 115.84 1wpk s ASN 78 Ca 0.16 -1.78 -0.18 0.00 -1.02 0.00 0.00 52.86 50.04 1wpk s ASN 78 Cb -0.06 -1.85 -0.29 0.00 0.02 0.00 0.00 41.25 39.07 1wpk s ASN 78 CO -0.06 -0.50 1.04 0.00 0.02 0.00 0.00 177.10 177.59 1wpk h ALA 79 N 8.14 -0.02 -3.36 0.60 0.00 -2.05 -3.43 119.26 119.14 1wpk h ALA 79 Ca -0.17 -0.70 -0.62 0.00 0.00 0.00 0.00 54.91 53.42 1wpk h ALA 79 Cb 1.06 0.09 -0.37 0.00 0.00 0.00 0.00 17.79 18.57 1wpk h ALA 79 CO 0.69 0.51 -0.82 -0.65 0.00 0.00 0.00 179.25 178.99 1wpk s GLN 80 N -2.87 2.10 -0.15 0.00 -0.21 -1.26 -5.11 119.66 112.17 1wpk s GLN 80 Ca -0.12 -0.79 -0.11 0.00 0.02 0.00 0.00 55.36 54.36 1wpk s GLN 80 Cb 0.04 -2.37 0.05 0.00 1.00 0.00 0.00 33.01 31.73 1wpk s GLN 80 CO 0.88 -0.39 0.38 1.14 -2.12 0.00 0.00 175.29 175.18 1wpk s GLN 81 N 1.41 0.41 -0.47 2.91 1.03 -1.26 -5.04 119.66 118.65 1wpk s GLN 81 Ca -0.00 0.63 0.04 0.00 0.04 0.00 0.00 55.36 56.07 1wpk s GLN 81 Cb -0.16 0.10 0.63 0.00 0.03 0.00 0.00 33.01 33.61 1wpk s GLN 81 CO -0.09 -0.10 1.90 0.72 -2.54 0.00 0.00 175.29 175.18 1wpk n HIS 82 N 3.51 2.97 -0.03 9.60 8.25 -1.26 -4.54 115.22 133.73 1wpk n HIS 82 Ca -0.18 -2.00 -0.14 0.00 -0.26 0.00 0.00 57.72 55.15 1wpk n HIS 82 Cb 0.56 -0.99 -0.10 0.00 1.12 0.00 0.00 29.99 30.59 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 1.14 0.14 0.00 -0.41 3.08 -2.00 -2.30 114.38 114.04 1wpk h ARG 83 Ca 0.61 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.43 1wpk h ARG 83 Cb 2.51 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.56 1wpk h ARG 83 CO 1.13 0.69 -0.62 1.25 -1.07 0.00 0.00 179.97 181.35 1wpk h LEU 84 N -0.40 0.00 -0.76 3.04 6.46 -1.95 -3.10 115.31 118.60 1wpk h LEU 84 Ca -0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 1wpk h LEU 84 Cb 0.69 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1wpk h LEU 84 CO 0.02 0.62 -0.53 -0.78 -0.62 0.00 0.00 178.44 177.15 1wpk h ASP 85 N 0.00 0.25 0.23 1.25 1.82 -1.83 -2.42 116.42 115.72 1wpk h ASP 85 Ca -0.01 -0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.49 1wpk h ASP 85 Cb 1.32 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1wpk h ASP 85 CO 0.08 0.74 -0.11 0.11 -1.61 0.00 0.00 179.24 178.45 1wpk h LYS 86 N 0.18 -0.30 -0.79 0.28 1.57 -1.39 -2.81 116.57 113.31 1wpk h LYS 86 Ca 0.00 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1wpk h LYS 86 Cb 1.00 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 1wpk h LYS 86 CO 0.08 0.07 0.52 -0.84 -0.57 0.00 0.00 179.45 178.71 1wpk h ILE 87 N -0.87 1.00 -0.88 1.86 -0.00 -1.60 -0.69 117.51 116.32 1wpk h ILE 87 Ca -0.03 -0.27 -0.02 0.00 -0.00 0.00 0.00 64.86 64.53 1wpk h ILE 87 Cb 0.51 0.13 -0.04 0.00 -0.00 0.00 0.00 36.82 37.42 1wpk h ILE 87 CO 0.05 0.14 0.45 0.74 -0.00 0.00 0.00 178.15 179.54 1wpk h THR 88 N 0.79 1.26 -0.08 0.16 2.02 -1.47 0.89 112.91 116.49 1wpk h THR 88 Ca 0.35 -0.69 -0.11 0.00 0.77 0.00 0.00 66.41 66.73 1wpk h THR 88 Cb 0.33 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1wpk h THR 88 CO -0.13 0.30 -0.47 -0.74 0.37 0.00 0.00 175.52 174.86 1wpk h HIS 89 N 1.24 0.23 -0.12 3.16 2.76 -0.90 -2.93 115.15 118.59 1wpk h HIS 89 Ca 0.31 -0.07 -0.10 0.00 -2.20 0.00 0.00 60.37 58.30 1wpk h HIS 89 Cb 0.07 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1wpk h HIS 89 CO 0.01 0.63 -0.33 0.00 -1.30 0.00 0.00 177.93 176.94 1wpk h ALA 90 N 1.36 0.20 -0.99 5.26 0.00 -0.47 -1.30 119.26 123.32 1wpk h ALA 90 Ca 0.01 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1wpk h ALA 90 Cb 0.89 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1wpk h ALA 90 CO 0.07 0.25 0.63 0.00 0.00 0.00 0.00 179.25 180.20 1wpk h ARG 92 N 1.06 0.67 0.00 0.00 2.43 -1.51 -3.14 114.38 113.88 1wpk h ARG 92 Ca 0.46 -0.67 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1wpk h ARG 92 Cb 0.33 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1wpk h ARG 92 CO -0.21 1.27 -0.06 1.25 -1.51 0.00 0.00 179.97 180.70 1wpk h LEU 93 N 0.40 0.00 -3.78 3.80 6.46 -0.35 -2.15 115.31 119.68 1wpk h LEU 93 Ca -0.10 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 57.12 1wpk h LEU 93 Cb 1.61 0.00 -0.23 0.00 -0.73 0.00 0.00 40.66 41.31 1wpk h LEU 93 CO 0.19 0.06 0.69 -0.11 -0.62 0.00 0.00 178.44 178.65 1wpk n LEU 94 N -4.04 7.20 -2.10 2.25 0.00 -0.27 -4.57 117.00 115.47 1wpk n LEU 94 Ca -0.03 -3.88 -0.25 0.00 0.00 0.00 0.00 56.01 51.85 1wpk n LEU 94 Cb 0.15 -1.01 0.08 0.00 0.00 0.00 0.00 43.42 42.65 1wpk n LEU 94 CO 0.31 1.37 1.30 -0.62 0.00 0.00 0.00 177.39 179.74 1wpk n GLU 95 N -0.41 2.24 -2.60 1.96 1.02 -0.81 -4.96 120.64 117.07 1wpk n GLU 95 Ca 0.50 -2.53 -0.23 0.00 -0.02 0.00 0.00 57.16 54.88 1wpk n GLU 95 Cb 0.64 -1.99 0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1wpk n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1wpk s GLN 96 N -2.90 2.65 -0.03 3.49 -0.21 -1.26 -5.02 119.66 116.38 1wpk s GLN 96 Ca 0.49 -0.51 0.10 0.00 0.02 0.00 0.00 55.36 55.46 1wpk s GLN 96 Cb 0.39 -2.41 -0.23 0.00 1.00 0.00 0.00 33.01 31.76 1wpk s GLN 96 CO 0.02 -0.71 0.73 0.93 -2.12 0.00 0.00 175.29 174.14 1wpk h GLU 97 N -0.01 0.03 -6.76 2.91 5.08 -2.01 -3.47 114.58 110.34 1wpk h GLU 97 Ca -0.44 -0.05 -0.45 0.00 -1.00 0.00 0.00 59.36 57.42 1wpk h GLU 97 Cb 1.28 0.02 0.04 0.00 0.50 0.00 0.00 28.75 30.59 1wpk h GLU 97 CO 0.56 0.63 -0.07 0.95 -1.00 0.00 0.00 179.01 180.08 1wpk s THR 98 N -2.61 3.50 0.15 1.13 -4.23 -1.26 -5.05 115.64 107.27 1wpk s THR 98 Ca -0.05 -0.55 -0.31 0.00 -1.18 0.00 0.00 61.69 59.60 1wpk s THR 98 Cb 0.08 -3.30 -0.08 0.00 1.34 0.00 0.00 72.50 70.54 1wpk s THR 98 CO 0.82 -0.21 1.38 -2.16 -0.54 0.00 0.00 174.62 173.91 1wpk s PRO 99 N -4.64 4.33 0.14 3.99 0.04 -1.26 -5.03 135.00 132.58 1wpk s PRO 99 Ca 0.52 2.11 0.03 0.00 0.04 0.00 0.00 61.00 63.70 1wpk s PRO 99 Cb -0.10 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1wpk s PRO 99 CO 0.38 -0.40 0.23 0.08 0.04 0.00 0.00 177.00 177.34 1wpk s VAL 100 N 0.73 5.08 0.38 -0.36 1.01 -1.26 -5.09 120.40 120.88 1wpk s VAL 100 Ca 0.62 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 1wpk s VAL 100 Cb -0.38 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1wpk s VAL 100 CO 0.34 -0.07 1.01 0.42 0.00 0.00 0.00 175.10 176.79 1wpk s THR 101 N -1.72 3.94 0.01 3.92 -4.23 -1.26 -4.98 115.64 111.31 1wpk s THR 101 Ca 0.33 1.49 -0.22 0.00 -1.18 0.00 0.00 61.69 62.11 1wpk s THR 101 Cb -0.11 -3.77 -0.18 0.00 1.34 0.00 0.00 72.50 69.78 1wpk s THR 101 CO 0.27 0.01 1.22 -0.07 -0.54 0.00 0.00 174.62 175.51 1wpk h LEU 102 N 2.63 0.34 -2.13 4.79 3.38 -2.02 -3.13 115.31 119.18 1wpk h LEU 102 Ca -0.48 -0.60 0.06 0.00 0.09 0.00 0.00 57.88 56.95 1wpk h LEU 102 Cb 1.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1wpk h LEU 102 CO 0.63 0.89 0.17 1.05 0.09 0.00 0.00 178.44 181.26 1wpk h GLU 103 N -0.18 0.00 -0.46 1.13 9.09 -1.98 -1.63 114.58 120.55 1wpk h GLU 103 Ca -0.01 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.46 1wpk h GLU 103 Cb 0.85 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.90 1wpk h GLU 103 CO 0.05 0.00 0.16 0.00 0.05 0.00 0.00 179.01 179.27 1wpk h ALA 104 N 1.85 0.55 -0.06 1.06 0.00 -1.95 0.47 119.26 121.18 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 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wpk h ALA 104 CO -0.00 -0.23 -0.15 -0.07 0.00 0.00 0.00 179.25 178.80 1wpk h LEU 105 N 0.33 0.09 -1.00 0.00 4.07 -1.42 -0.51 115.31 116.87 1wpk h LEU 105 Ca 0.22 -0.02 -0.08 0.00 0.08 0.00 0.00 57.88 58.08 1wpk h LEU 105 Cb 0.22 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1wpk h LEU 105 CO -0.22 0.25 -0.36 0.00 -1.08 0.00 0.00 178.44 177.03 1wpk h ALA 106 N 1.76 1.03 -0.10 1.53 0.00 -0.41 -1.59 119.26 121.48 1wpk h ALA 106 Ca 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1wpk h ALA 106 Cb 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wpk h ALA 106 CO 0.02 0.45 -0.05 0.22 0.00 0.00 0.00 179.25 179.89 1wpk h ASP 107 N 0.00 0.21 0.71 0.00 1.82 0.15 0.61 116.42 119.91 1wpk h ASP 107 Ca -0.00 -0.42 -0.18 0.00 -0.39 0.00 0.00 57.03 56.04 1wpk h ASP 107 Cb 0.86 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.79 1wpk h ASP 107 CO 0.05 0.58 -0.84 0.06 -1.61 0.00 0.00 179.24 177.47 1wpk h GLN 108 N -0.16 0.09 0.00 0.28 3.07 -1.49 -3.20 115.11 113.69 1wpk h GLN 108 Ca 0.02 -0.10 -0.05 0.00 0.09 0.00 0.00 58.65 58.61 1wpk h GLN 108 Cb 0.50 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 1wpk h GLN 108 CO 0.01 0.88 -0.68 0.28 0.09 0.00 0.00 178.83 179.41 1wpk h VAL 109 N 0.05 0.27 -2.17 1.86 2.07 -1.30 -3.48 116.25 113.55 1wpk h VAL 109 Ca -0.02 -1.43 -0.37 0.00 0.82 0.00 0.00 66.70 65.69 1wpk h VAL 109 Cb 1.47 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 33.12 1wpk h VAL 109 CO 0.12 0.15 -0.44 0.00 0.02 0.00 0.00 177.57 177.43 1wpk n ALA 110 N -2.21 -0.47 -3.75 1.67 0.00 0.21 -4.97 120.51 110.99 1wpk n ALA 110 Ca -0.00 0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1wpk n ALA 110 Cb 0.64 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.68 0.48 -2.81 0.00 2.81 -1.12 -5.04 117.12 108.76 1wpk n MET 111 Ca -0.21 -1.56 -0.30 0.00 -1.81 0.00 0.00 57.70 53.82 1wpk n MET 111 Cb 0.65 1.06 -0.03 0.00 -0.71 0.00 0.00 33.22 34.19 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 -2.11 6.51 0.58 7.83 0.01 -1.26 -4.57 113.70 120.68 1wpk s SER 112 Ca 0.14 1.15 0.30 0.00 1.31 0.00 0.00 55.95 58.85 1wpk s SER 112 Cb 0.01 -2.33 1.63 0.00 0.21 0.00 0.00 66.02 65.54 1wpk s SER 112 CO 0.10 -0.42 1.90 -0.65 0.41 0.00 0.00 173.24 174.58 1wpk h PRO 113 N 1.17 0.00 -0.11 12.44 0.11 -1.97 -0.92 132.00 142.72 1wpk h PRO 113 Ca -0.47 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 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 0.64 0.00 -0.86 0.35 -0.21 0.00 0.00 178.00 177.92 1wpk h PHE 114 N 0.00 1.08 0.11 0.65 3.57 -1.98 -2.72 116.94 117.65 1wpk h PHE 114 Ca 0.00 -0.51 -0.01 0.00 3.53 0.00 0.00 57.97 60.99 1wpk h PHE 114 Cb 0.44 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1wpk h PHE 114 CO 0.00 1.34 -0.05 0.45 -2.23 0.00 0.00 178.31 177.82 1wpk h HIS 115 N 0.50 -0.14 -0.46 0.41 3.86 -1.54 0.42 115.15 118.20 1wpk h HIS 115 Ca -0.08 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1wpk h HIS 115 Cb 1.50 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.99 1wpk h HIS 115 CO 0.09 -0.05 0.18 1.25 0.86 0.00 0.00 177.93 180.26 1wpk h LEU 116 N -0.19 0.60 -0.12 2.43 5.85 -1.64 -2.62 115.31 119.61 1wpk h LEU 116 Ca -0.02 -0.07 -0.24 0.00 0.84 0.00 0.00 57.88 58.40 1wpk h LEU 116 Cb 0.15 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1wpk h LEU 116 CO 0.03 0.55 -1.00 -0.74 -0.34 0.00 0.00 178.44 176.94 1wpk h HIS 117 N 0.65 0.63 -0.31 1.25 2.76 -1.18 -2.28 115.15 116.67 1wpk h HIS 117 Ca 0.16 -0.36 0.02 0.00 -2.20 0.00 0.00 60.37 57.99 1wpk h HIS 117 Cb 0.14 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 1wpk h HIS 117 CO 0.01 1.19 0.15 -0.09 -1.30 0.00 0.00 177.93 177.89 1wpk h ARG 118 N 0.22 0.31 -0.09 5.26 9.65 0.20 0.35 114.38 130.28 1wpk h ARG 118 Ca -0.09 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 58.65 1wpk h ARG 118 Cb 1.65 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.16 1wpk h ARG 118 CO 0.17 0.21 -0.39 -0.07 2.80 0.00 0.00 179.97 182.69 1wpk h LEU 119 N 0.32 0.51 -1.24 3.80 3.38 -1.58 -2.96 115.31 117.54 1wpk h LEU 119 Ca 0.13 -0.63 0.10 0.00 0.09 0.00 0.00 57.88 57.56 1wpk h LEU 119 Cb 0.04 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1wpk h LEU 119 CO -0.09 1.06 0.56 0.15 0.09 0.00 0.00 178.44 180.21 1wpk h PHE 120 N -0.01 0.91 -0.44 1.13 3.57 -1.27 0.21 116.94 121.04 1wpk h PHE 120 Ca -0.02 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 1wpk h PHE 120 Cb 1.03 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1wpk h PHE 120 CO 0.12 0.42 -0.19 0.87 -2.23 0.00 0.00 178.31 177.30 1wpk h LYS 121 N 0.84 0.87 0.00 1.11 1.79 -0.93 0.77 116.57 121.03 1wpk h LYS 121 Ca 0.40 -0.34 -0.13 0.00 -2.18 0.00 0.00 60.65 58.40 1wpk h LYS 121 Cb 0.42 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1wpk h LYS 121 CO -0.17 0.98 -0.64 0.00 -1.08 0.00 0.00 179.45 178.54 1wpk h ALA 122 N 1.02 0.79 0.00 3.86 0.00 -1.02 -1.26 119.26 122.65 1wpk h ALA 122 Ca 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wpk h ALA 122 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wpk h ALA 122 CO 0.06 0.80 -0.28 1.15 0.00 0.00 0.00 179.25 180.97 1wpk h THR 123 N 0.00 0.00 0.02 0.00 2.02 -0.42 -3.43 112.91 111.09 1wpk h THR 123 Ca -0.01 -0.63 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 1wpk h THR 123 Cb 1.25 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1wpk h THR 123 CO 0.08 0.00 -0.64 0.71 0.37 0.00 0.00 175.52 176.05 1wpk h THR 124 N -0.63 1.39 -1.43 3.16 1.35 0.33 -3.49 112.91 113.59 1wpk h THR 124 Ca 0.00 -2.30 -0.13 0.00 -0.55 0.00 0.00 66.41 63.43 1wpk h THR 124 Cb 0.28 2.89 0.01 0.00 -1.73 0.00 0.00 68.15 69.60 1wpk h THR 124 CO 0.00 0.51 -0.18 0.61 -0.25 0.00 0.00 175.52 176.21 1wpk n GLY 125 N 1.56 0.22 3.07 5.82 0.00 -0.31 -4.98 105.19 110.58 1wpk n GLY 125 Ca -0.20 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.67 0.56 0.60 1.61 -1.94 -1.26 -5.01 119.30 109.19 1wpk s MET 126 Ca 0.06 -0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 53.13 1wpk s MET 126 Cb -0.03 -0.22 0.02 0.00 2.01 0.00 0.00 34.83 36.61 1wpk s MET 126 CO 0.07 0.02 0.91 0.95 -0.01 0.00 0.00 175.02 176.97 1wpk s THR 127 N -1.85 3.44 0.46 2.05 -4.23 -1.26 -4.85 115.64 109.41 1wpk s THR 127 Ca -0.06 -0.05 0.21 0.00 -1.18 0.00 0.00 61.69 60.61 1wpk s THR 127 Cb -0.07 -3.38 0.25 0.00 1.34 0.00 0.00 72.50 70.64 1wpk s THR 127 CO -0.01 -0.39 2.07 1.55 -0.54 0.00 0.00 174.62 177.30 1wpk h PRO 128 N -0.23 0.00 0.00 3.99 0.13 -2.02 -2.04 132.00 131.84 1wpk h PRO 128 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 1wpk h PRO 128 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1wpk h PRO 128 CO 0.60 0.12 -0.85 1.57 -0.23 0.00 0.00 178.00 179.22 1wpk h LYS 129 N 0.00 0.12 -0.04 0.86 2.10 -1.99 -2.79 116.57 114.83 1wpk h LYS 129 Ca -0.00 -0.13 -0.09 0.00 -2.00 0.00 0.00 60.65 58.43 1wpk h LYS 129 Cb 0.26 0.04 0.01 0.00 -0.90 0.00 0.00 32.23 31.63 1wpk h LYS 129 CO 0.02 0.89 -0.32 0.00 -2.00 0.00 0.00 179.45 178.04 1wpk h ALA 130 N 1.06 0.09 -0.62 0.07 0.00 -1.77 -1.87 119.26 116.21 1wpk h ALA 130 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wpk h ALA 130 Cb 1.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1wpk h ALA 130 CO 0.12 0.16 0.40 -1.49 0.00 0.00 0.00 179.25 178.45 1wpk h TRP 131 N -0.26 0.80 -0.34 0.00 -0.00 -1.47 0.54 115.95 115.21 1wpk h TRP 131 Ca -0.03 0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 58.80 1wpk h TRP 131 Cb 1.01 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.89 1wpk h TRP 131 CO 0.15 0.52 -0.05 1.96 -0.00 0.00 0.00 178.44 181.01 1wpk h GLN 132 N 0.85 0.64 -0.11 0.49 1.08 -1.56 -1.10 115.11 115.39 1wpk h GLN 132 Ca 0.23 -0.23 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 1wpk h GLN 132 Cb -0.07 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1wpk h GLN 132 CO -0.05 0.79 -0.44 1.96 -0.95 0.00 0.00 178.83 180.14 1wpk h GLN 133 N 0.43 0.26 -0.06 1.46 4.20 -1.06 -2.00 115.11 118.35 1wpk h GLN 133 Ca 0.09 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 1wpk h GLN 133 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1wpk h GLN 133 CO 0.03 0.66 -0.63 0.00 -0.67 0.00 0.00 178.83 178.21 1wpk h ALA 134 N 1.32 0.83 -0.02 3.87 0.00 0.23 -0.97 119.26 124.52 1wpk h ALA 134 Ca 0.02 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1wpk h ALA 134 Cb 0.87 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wpk h ALA 134 CO 0.07 0.75 -0.17 2.35 0.00 0.00 0.00 179.25 182.25 1wpk h TRP 135 N 0.16 0.21 -0.04 0.00 7.01 -1.01 -1.67 115.95 120.60 1wpk h TRP 135 Ca -0.01 -0.10 -0.09 0.00 2.11 0.00 0.00 58.89 60.80 1wpk h TRP 135 Cb 1.15 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.16 1wpk h TRP 135 CO 0.02 0.83 -0.41 0.07 -2.79 0.00 0.00 178.44 176.17 1wpk h ARG 136 N -0.47 0.08 -0.06 2.65 0.11 -1.41 -0.51 114.38 114.77 1wpk h ARG 136 Ca -0.01 -0.04 -0.22 0.00 0.10 0.00 0.00 59.98 59.80 1wpk h ARG 136 Cb 0.86 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.95 1wpk h ARG 136 CO 0.03 0.48 -0.87 0.00 0.10 0.00 0.00 179.97 179.72 1wpk h ALA 137 N 1.52 0.36 -0.00 0.08 0.00 -1.22 -2.57 119.26 117.42 1wpk h ALA 137 Ca 0.00 -0.65 -0.20 0.00 0.00 0.00 0.00 54.91 54.06 1wpk h ALA 137 Cb 0.75 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wpk h ALA 137 CO 0.06 0.74 -0.88 -0.09 0.00 0.00 0.00 179.25 179.08 1wpk h ARG 138 N 0.36 0.26 -0.12 0.00 2.43 -1.13 -2.21 114.38 113.96 1wpk h ARG 138 Ca -0.07 -0.27 -0.12 0.00 -0.81 0.00 0.00 59.98 58.70 1wpk h ARG 138 Cb 1.49 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 1wpk h ARG 138 CO 0.16 0.98 -0.48 -0.09 -1.51 0.00 0.00 179.97 179.04 1wpk h ARG 139 N 0.15 0.30 0.04 0.20 2.43 -1.12 -1.18 114.38 115.20 1wpk h ARG 139 Ca -0.05 -0.16 -0.23 0.00 -0.81 0.00 0.00 59.98 58.73 1wpk h ARG 139 Cb 1.50 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 1wpk h ARG 139 CO 0.14 0.72 -1.06 -0.07 -1.51 0.00 0.00 179.97 178.19 1wpk h LEU 140 N 0.24 0.16 -0.38 3.80 3.38 -1.45 -3.27 115.31 117.80 1wpk h LEU 140 Ca 0.01 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 1wpk h LEU 140 Cb 0.93 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1wpk h LEU 140 CO 0.08 1.11 -0.80 -0.09 0.09 0.00 0.00 178.44 178.82 1wpk h ARG 141 N 0.03 0.00 -1.64 1.13 9.65 -1.28 -3.26 114.38 119.02 1wpk h ARG 141 Ca -0.05 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.26 1wpk h ARG 141 Cb 1.80 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 30.16 1wpk h ARG 141 CO 0.15 0.80 0.67 -1.91 2.80 0.00 0.00 179.97 182.49 1wpk n GLU 142 N -3.57 2.41 -1.18 0.20 2.13 -0.46 -4.57 120.64 115.60 1wpk n GLU 142 Ca -0.01 -2.65 -0.26 0.00 0.66 0.00 0.00 57.16 54.90 1wpk n GLU 142 Cb 0.78 -2.08 0.13 0.00 0.27 0.00 0.00 31.44 30.53 1wpk n GLU 142 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1wpk n SER 143 N -0.01 5.30 -2.72 4.31 7.64 -1.23 -4.94 113.62 121.98 1wpk n SER 143 Ca 0.49 -3.56 -0.00 0.00 1.01 0.00 0.00 58.87 56.81 1wpk n SER 143 Cb 0.51 -0.89 -0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1wpk n SER 143 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1wpk n LEU 144 N -0.89 -7.94 -4.89 -3.43 4.32 -1.26 -5.00 117.00 97.91 1wpk n LEU 144 Ca 0.56 1.49 -0.30 0.00 -0.02 0.00 0.00 56.01 57.74 1wpk n LEU 144 Cb 1.19 -3.35 -0.04 0.00 -1.62 0.00 0.00 43.42 39.59 1wpk n LEU 144 CO 0.63 -3.28 0.23 0.00 -1.22 0.00 0.00 177.39 173.75 1wpk s ALA 145 N -1.58 3.58 -2.00 -1.18 0.00 -1.26 -5.21 121.76 114.10 1wpk s ALA 145 Ca -0.02 -0.43 0.24 0.00 0.00 0.00 0.00 51.96 51.75 1wpk s ALA 145 Cb 0.00 -2.38 1.42 0.00 0.00 0.00 0.00 23.12 22.16 1wpk s ALA 145 CO 0.79 0.31 1.79 1.17 0.00 0.00 0.00 175.76 179.81