#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwk n SER 20 N 0.00 0.46 -4.08 1.61 7.64 -1.26 -4.91 113.62 113.07 2jwk n SER 20 Ca 0.00 0.09 -0.29 0.00 1.01 0.00 0.00 58.87 59.68 2jwk n SER 20 Cb 0.00 0.56 -0.17 0.00 -1.01 0.00 0.00 64.21 63.59 2jwk n SER 20 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jwk s VAL 21 N -2.52 1.60 1.18 0.44 1.01 -1.26 -5.14 120.40 115.72 2jwk s VAL 21 Ca -0.11 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 2jwk s VAL 21 Cb 0.07 -1.45 0.21 0.00 0.00 0.00 0.00 36.38 35.21 2jwk s VAL 21 CO 0.81 0.46 0.44 -2.65 0.00 0.00 0.00 175.10 174.16 2jwk n PRO 22 N 4.14 -2.55 -3.96 2.72 -0.02 -1.26 -4.34 135.00 129.73 2jwk n PRO 22 Ca -0.19 -0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 60.20 2jwk n PRO 22 Cb 0.51 -1.80 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 2jwk n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jwk s VAL 23 N -2.22 3.15 -0.14 -1.45 1.01 -0.01 -3.58 120.40 117.15 2jwk s VAL 23 Ca 0.57 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2jwk s VAL 23 Cb -0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2jwk s VAL 23 CO 0.59 0.45 -0.10 -0.63 0.00 0.00 0.00 175.10 175.40 2jwk s ILE 24 N 1.42 3.26 -0.15 2.22 1.09 -0.15 -2.20 121.20 126.69 2jwk s ILE 24 Ca 0.05 -0.58 0.01 0.00 -1.10 0.00 0.00 60.65 59.03 2jwk s ILE 24 Cb -0.14 -2.39 0.00 0.00 -1.06 0.00 0.00 42.46 38.87 2jwk s ILE 24 CO -0.05 0.51 -0.17 -0.22 -0.10 0.00 0.00 174.94 174.91 2jwk s LEU 25 N 0.46 2.35 -0.14 2.97 0.20 -0.75 0.59 118.68 124.36 2jwk s LEU 25 Ca -0.08 -0.52 -0.01 0.00 0.69 0.00 0.00 54.13 54.21 2jwk s LEU 25 Cb -0.15 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2jwk s LEU 25 CO 0.04 0.08 -0.11 -0.70 -0.29 0.00 0.00 176.35 175.37 2jwk s GLU 26 N 0.85 3.45 -0.46 1.98 2.12 0.13 -2.07 118.70 124.70 2jwk s GLU 26 Ca -0.05 -0.65 -0.24 0.00 0.36 0.00 0.00 54.97 54.39 2jwk s GLU 26 Cb -0.15 -2.71 0.03 0.00 0.26 0.00 0.00 34.13 31.56 2jwk s GLU 26 CO -0.01 0.21 0.85 0.08 -0.54 0.00 0.00 175.26 175.85 2jwk s VAL 27 N 0.39 4.56 -0.18 3.70 1.01 -0.28 -0.79 120.40 128.82 2jwk s VAL 27 Ca -0.09 0.54 0.19 0.00 0.00 0.00 0.00 61.98 62.62 2jwk s VAL 27 Cb -0.15 -4.39 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 2jwk s VAL 27 CO 0.05 -0.80 0.96 0.00 0.00 0.00 0.00 175.10 175.30 2jwk h ALA 28 N 9.05 0.60 -3.00 5.51 0.00 -1.63 -2.70 119.26 127.08 2jwk h ALA 28 Ca -0.25 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2jwk h ALA 28 Cb 1.08 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jwk h ALA 28 CO 1.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 181.18 2jwk n GLY 29 N 1.29 -0.29 3.12 0.00 0.00 -1.22 -4.83 105.19 103.26 2jwk n GLY 29 Ca -0.05 0.60 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 2jwk n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jwk s ILE 30 N 2.91 3.58 0.00 -0.61 -1.09 -1.26 -4.60 121.20 120.13 2jwk s ILE 30 Ca 0.00 -2.49 0.00 0.00 -2.23 0.00 0.00 60.65 55.93 2jwk s ILE 30 Cb 0.00 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2jwk s ILE 30 CO 0.00 -0.79 0.00 0.61 -1.23 0.00 0.00 174.94 173.53 2jwk n GLY 31 N 4.06 0.88 3.20 6.18 0.00 -1.26 -5.00 105.19 113.25 2jwk n GLY 31 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2jwk n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwk s LYS 32 N -0.21 2.94 0.14 1.61 1.02 -1.26 -4.35 119.74 119.62 2jwk s LYS 32 Ca 0.00 -2.38 0.03 0.00 0.02 0.00 0.00 55.97 53.64 2jwk s LYS 32 Cb 0.00 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 2jwk s LYS 32 CO 0.00 -1.22 0.24 0.71 -0.92 0.00 0.00 175.35 174.16 2jwk s TYR 33 N 0.26 3.41 0.03 3.18 2.02 -0.66 -1.62 117.35 123.97 2jwk s TYR 33 Ca 0.15 0.10 0.07 0.00 -0.37 0.00 0.00 57.07 57.02 2jwk s TYR 33 Cb -0.18 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 2jwk s TYR 33 CO -0.05 0.52 -0.20 0.00 -1.57 0.00 0.00 175.55 174.26 2jwk s ALA 34 N -1.71 1.65 -0.02 3.71 0.00 0.03 -1.44 121.76 123.98 2jwk s ALA 34 Ca 0.34 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2jwk s ALA 34 Cb -0.11 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.67 2jwk s ALA 34 CO 0.27 0.38 -0.07 0.96 0.00 0.00 0.00 175.76 177.30 2jwk s ILE 35 N -0.71 0.61 -0.26 0.00 -4.36 -0.26 0.20 121.20 116.43 2jwk s ILE 35 Ca 0.07 -0.27 -0.03 0.00 -0.26 0.00 0.00 60.65 60.16 2jwk s ILE 35 Cb -0.08 -0.56 0.02 0.00 1.25 0.00 0.00 42.46 43.08 2jwk s ILE 35 CO 0.01 0.20 -0.02 -0.55 0.24 0.00 0.00 174.94 174.82 2jwk s SER 36 N 0.24 4.52 -0.27 4.36 0.15 0.20 0.36 113.70 123.26 2jwk s SER 36 Ca -0.03 -0.74 -0.00 0.00 0.70 0.00 0.00 55.95 55.87 2jwk s SER 36 Cb -0.08 -1.73 0.05 0.00 -1.71 0.00 0.00 66.02 62.54 2jwk s SER 36 CO 0.00 -0.12 -0.05 -0.63 1.20 0.00 0.00 173.24 173.63 2jwk s ILE 37 N 1.40 2.70 -1.53 6.45 1.01 0.15 -0.98 121.20 130.39 2jwk s ILE 37 Ca 0.02 -1.35 -0.09 0.00 0.00 0.00 0.00 60.65 59.23 2jwk s ILE 37 Cb -0.16 -2.50 0.07 0.00 0.01 0.00 0.00 42.46 39.88 2jwk s ILE 37 CO -0.02 0.02 0.67 0.61 0.00 0.00 0.00 174.94 176.21 2jwk n GLY 38 N 4.58 -0.36 1.38 6.18 0.00 -1.23 -1.07 105.19 114.67 2jwk n GLY 38 Ca -0.15 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jwk n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jwk n GLY 39 N -1.70 3.13 3.69 -0.02 0.00 -1.26 -5.03 105.19 104.01 2jwk n GLY 39 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2jwk n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jwk s GLU 40 N -0.40 4.29 -0.15 1.61 2.56 -0.23 -5.05 118.70 121.32 2jwk s GLU 40 Ca 0.00 0.61 -0.06 0.00 0.00 0.00 0.00 54.97 55.52 2jwk s GLU 40 Cb 0.00 -3.51 -0.04 0.00 2.00 0.00 0.00 34.13 32.58 2jwk s GLU 40 CO 0.00 -0.07 0.05 0.50 -0.56 0.00 0.00 175.26 175.18 2jwk s ARG 41 N 1.33 3.66 -0.17 4.30 3.00 -1.26 0.31 118.95 130.11 2jwk s ARG 41 Ca 0.29 -0.35 -0.00 0.00 -1.00 0.00 0.00 55.73 54.67 2jwk s ARG 41 Cb -0.16 -3.08 -0.00 0.00 0.00 0.00 0.00 34.95 31.71 2jwk s ARG 41 CO 0.12 0.43 -0.14 -0.65 0.00 0.00 0.00 175.30 175.06 2jwk s GLN 42 N -0.09 3.22 0.09 5.12 -0.21 0.16 -4.98 119.66 122.97 2jwk s GLN 42 Ca 0.06 -0.74 0.06 0.00 0.02 0.00 0.00 55.36 54.76 2jwk s GLN 42 Cb -0.12 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 2jwk s GLN 42 CO 0.01 -0.05 -0.05 -1.21 -2.12 0.00 0.00 175.29 171.87 2jwk s GLU 43 N 0.98 2.35 -0.11 2.91 2.02 -1.26 -1.11 118.70 124.49 2jwk s GLU 43 Ca -0.02 -0.91 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 2jwk s GLU 43 Cb -0.15 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.66 2jwk s GLU 43 CO -0.02 0.53 0.14 0.41 0.02 0.00 0.00 175.26 176.33 2jwk n GLY 44 N 0.71 -0.78 3.00 -1.39 0.00 -1.25 -5.04 105.19 100.45 2jwk n GLY 44 Ca -0.12 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 2jwk n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jwk s LEU 45 N -1.52 2.20 0.61 0.99 1.43 -0.52 -4.99 118.68 116.87 2jwk s LEU 45 Ca 0.05 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2jwk s LEU 45 Cb -0.01 -0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.18 2jwk s LEU 45 CO 0.17 -0.19 0.87 0.42 0.23 0.00 0.00 176.35 177.85 2jwk s THR 46 N -1.15 2.65 0.14 5.49 -4.23 -1.26 -1.66 115.64 115.62 2jwk s THR 46 Ca -0.10 -0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.84 2jwk s THR 46 Cb -0.08 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 2jwk s THR 46 CO -0.00 -0.05 1.54 1.05 -0.54 0.00 0.00 174.62 176.61 2jwk h GLU 47 N -0.20 0.91 -0.61 3.99 4.11 -1.98 -0.06 114.58 120.74 2jwk h GLU 47 Ca -0.43 -0.38 -0.07 0.00 0.07 0.00 0.00 59.36 58.55 2jwk h GLU 47 Cb 1.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2jwk h GLU 47 CO 0.56 1.03 0.10 1.49 0.07 0.00 0.00 179.01 182.26 2jwk h GLU 48 N 0.74 0.99 -0.19 1.06 4.81 -1.97 -1.64 114.58 118.39 2jwk h GLU 48 Ca 0.11 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 2jwk h GLU 48 Cb 0.73 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2jwk h GLU 48 CO 0.06 0.92 -0.19 0.52 -0.73 0.00 0.00 179.01 179.58 2jwk h MET 49 N 0.94 0.47 -0.69 1.92 2.86 -1.92 -2.30 114.93 116.20 2jwk h MET 49 Ca 0.19 -0.25 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 2jwk h MET 49 Cb 0.41 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2jwk h MET 49 CO 0.01 0.82 0.45 -0.24 1.06 0.00 0.00 176.91 179.02 2jwk h VAL 50 N 0.13 1.00 -0.00 -2.22 3.04 -0.85 -1.60 116.25 115.76 2jwk h VAL 50 Ca 0.03 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2jwk h VAL 50 Cb 0.74 0.25 -0.00 0.00 -2.01 0.00 0.00 31.29 30.27 2jwk h VAL 50 CO 0.05 0.13 0.00 0.74 -1.01 0.00 0.00 177.57 177.47 2jwk h THR 51 N 0.69 1.15 -0.35 3.17 2.02 -1.15 -0.62 112.91 117.82 2jwk h THR 51 Ca 0.30 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 67.11 2jwk h THR 51 Cb 0.29 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 68.07 2jwk h THR 51 CO -0.10 0.12 -0.25 -0.61 0.37 0.00 0.00 175.52 175.04 2jwk h GLN 52 N -0.19 -0.20 -0.11 6.66 5.75 -0.73 0.46 115.11 126.76 2jwk h GLN 52 Ca 0.00 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2jwk h GLN 52 Cb 0.19 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 2jwk h GLN 52 CO -0.00 -0.13 0.02 -0.07 -2.65 0.00 0.00 178.83 175.99 2jwk h LEU 53 N -0.21 0.18 -0.72 -2.39 3.38 -1.37 -0.56 115.31 113.60 2jwk h LEU 53 Ca 0.17 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2jwk h LEU 53 Cb 0.48 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2jwk h LEU 53 CO -0.47 0.39 0.46 0.28 0.09 0.00 0.00 178.44 179.18 2jwk h SER 54 N -0.05 0.75 -0.36 -0.43 0.02 -0.66 -0.64 113.55 112.18 2jwk h SER 54 Ca 0.03 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2jwk h SER 54 Cb 0.29 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2jwk h SER 54 CO 0.00 0.52 -0.03 0.03 -1.14 0.00 0.00 176.83 176.21 2jwk h ARG 55 N 0.89 0.66 -0.67 3.45 2.47 -0.02 -1.10 114.38 120.06 2jwk h ARG 55 Ca 0.29 -0.23 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 2jwk h ARG 55 Cb 0.02 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 2jwk h ARG 55 CO -0.11 0.79 0.25 0.37 0.56 0.00 0.00 179.97 181.83 2jwk h GLN 56 N 0.47 1.02 -0.30 0.04 4.15 -0.74 0.22 115.11 119.96 2jwk h GLN 56 Ca 0.10 -0.20 -0.15 0.00 0.77 0.00 0.00 58.65 59.17 2jwk h GLN 56 Cb 0.51 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2jwk h GLN 56 CO 0.02 0.87 -0.41 0.93 -1.93 0.00 0.00 178.83 178.31 2jwk h GLU 57 N 0.97 0.73 0.00 1.69 4.39 -1.06 -2.37 114.58 118.94 2jwk h GLU 57 Ca 0.22 -0.39 -0.11 0.00 0.34 0.00 0.00 59.36 59.42 2jwk h GLU 57 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2jwk h GLU 57 CO -0.01 1.01 -0.54 0.35 -1.16 0.00 0.00 179.01 178.65 2jwk h PHE 58 N 0.60 0.00 0.00 4.33 3.57 -0.93 -0.47 116.94 124.04 2jwk h PHE 58 Ca 0.05 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 2jwk h PHE 58 Cb 0.95 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2jwk h PHE 58 CO 0.05 0.54 -0.64 -0.44 -2.23 0.00 0.00 178.31 175.58 2jwk h ASP 59 N 0.00 0.00 0.35 0.41 3.32 -0.80 -3.15 116.42 116.55 2jwk h ASP 59 Ca -0.01 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.72 2jwk h ASP 59 Cb 0.96 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.52 2jwk h ASP 59 CO 0.07 0.64 -1.52 0.11 -1.72 0.00 0.00 179.24 176.83 2jwk h LYS 60 N 0.00 0.41 -4.04 3.56 1.57 -1.25 -3.43 116.57 113.38 2jwk h LYS 60 Ca -0.01 -0.69 -0.57 0.00 -1.87 0.00 0.00 60.65 57.51 2jwk h LYS 60 Cb 1.34 0.26 -0.39 0.00 0.08 0.00 0.00 32.23 33.52 2jwk h LYS 60 CO 0.08 1.31 -0.78 -0.51 -0.57 0.00 0.00 179.45 178.99 2jwk s ASP 61 N -7.33 3.42 0.00 0.86 1.01 -0.20 -5.00 116.67 109.44 2jwk s ASP 61 Ca -0.10 -1.00 0.11 0.00 0.71 0.00 0.00 52.55 52.26 2jwk s ASP 61 Cb 0.05 -0.94 0.52 0.00 1.01 0.00 0.00 42.92 43.56 2jwk s ASP 61 CO 0.90 -0.26 1.35 0.59 0.21 0.00 0.00 175.17 177.96 2jwk n ASN 62 N 4.83 0.47 -0.24 0.27 4.13 -1.19 -3.50 115.26 120.01 2jwk n ASN 62 Ca -0.11 -1.76 0.06 0.00 1.68 0.00 0.00 54.58 54.45 2jwk n ASN 62 Cb 0.45 -0.05 0.09 0.00 -1.54 0.00 0.00 39.78 38.74 2jwk n ASN 62 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jwk n ASN 63 N -0.36 1.52 -4.62 6.41 3.02 -1.26 -5.05 115.26 114.92 2jwk n ASN 63 Ca 0.08 -2.72 -0.43 0.00 -0.03 0.00 0.00 54.58 51.49 2jwk n ASN 63 Cb 0.10 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 2jwk n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jwk s THR 64 N -1.87 3.53 0.08 3.41 2.01 -1.23 -4.85 115.64 116.73 2jwk s THR 64 Ca 0.21 0.58 -0.31 0.00 0.31 0.00 0.00 61.69 62.49 2jwk s THR 64 Cb 0.19 -3.59 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 2jwk s THR 64 CO 0.02 -0.29 1.83 -0.22 -0.69 0.00 0.00 174.62 175.26 2jwk s LEU 65 N 5.92 4.40 -0.10 4.42 2.96 -1.26 -4.84 118.68 130.17 2jwk s LEU 65 Ca 0.77 2.67 0.01 0.00 -0.22 0.00 0.00 54.13 57.36 2jwk s LEU 65 Cb -0.26 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.86 2jwk s LEU 65 CO 0.32 -1.00 -0.14 -0.36 -1.32 0.00 0.00 176.35 173.85 2jwk s PHE 66 N 3.25 2.77 0.00 5.38 0.08 -1.26 -0.83 117.98 127.37 2jwk s PHE 66 Ca 0.82 -0.50 0.03 0.00 0.12 0.00 0.00 56.93 57.39 2jwk s PHE 66 Cb -0.44 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 2jwk s PHE 66 CO 0.37 -0.09 -0.09 -0.48 -0.10 0.00 0.00 175.22 174.82 2jwk s LEU 67 N 0.01 2.05 -0.12 -0.37 0.05 -0.93 -5.00 118.68 114.37 2jwk s LEU 67 Ca -0.04 -0.23 0.02 0.00 0.05 0.00 0.00 54.13 53.93 2jwk s LEU 67 Cb -0.14 -0.46 0.01 0.00 -2.05 0.00 0.00 46.19 43.55 2jwk s LEU 67 CO 0.04 0.08 -0.17 -0.69 -0.55 0.00 0.00 176.35 175.06 2jwk s VAL 68 N -0.37 1.68 0.01 1.48 1.01 -1.26 -1.82 120.40 121.13 2jwk s VAL 68 Ca 0.02 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2jwk s VAL 68 Cb -0.04 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2jwk s VAL 68 CO -0.00 0.48 -0.13 -0.83 0.00 0.00 0.00 175.10 174.62 2jwk s GLY 69 N 0.98 0.67 0.20 4.51 0.00 -0.88 -5.03 107.32 107.78 2jwk s GLY 69 Ca -0.06 -0.65 0.11 0.00 0.00 0.00 0.00 44.72 44.13 2jwk s GLY 69 CO -0.03 -0.58 -0.21 -0.32 0.00 0.00 0.00 173.10 171.97 2jwk s GLY 70 N -0.63 1.73 0.69 0.20 0.00 -1.26 -1.12 107.32 106.93 2jwk s GLY 70 Ca 0.03 -1.64 -0.11 0.00 0.00 0.00 0.00 44.72 43.00 2jwk s GLY 70 CO 0.00 -1.67 1.08 0.00 0.00 0.00 0.00 173.10 172.51 2jwk s ALA 71 N -1.78 2.93 0.48 3.20 0.00 -1.02 -4.94 121.76 120.63 2jwk s ALA 71 Ca 0.23 -0.28 0.14 0.00 0.00 0.00 0.00 51.96 52.05 2jwk s ALA 71 Cb -0.08 -3.04 1.14 0.00 0.00 0.00 0.00 23.12 21.14 2jwk s ALA 71 CO 0.11 -1.04 2.11 0.87 0.00 0.00 0.00 175.76 177.81 2jwk h LYS 72 N -0.58 0.19 -0.00 0.00 6.56 -1.98 -1.16 116.57 119.60 2jwk h LYS 72 Ca -0.45 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 2jwk h LYS 72 Cb 1.24 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2jwk h LYS 72 CO 0.63 0.12 -0.03 0.39 -2.06 0.00 0.00 179.45 178.50 2jwk n GLU 73 N -4.51 0.36 -3.27 3.15 1.02 -1.26 -4.79 120.64 111.34 2jwk n GLU 73 Ca 0.00 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.72 2jwk n GLU 73 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 2jwk n GLU 73 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jwk s VAL 74 N -2.66 4.95 0.58 2.62 1.01 -0.44 -5.01 120.40 121.45 2jwk s VAL 74 Ca 0.25 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 2jwk s VAL 74 Cb 0.20 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2jwk s VAL 74 CO 0.49 0.44 1.04 -2.16 0.00 0.00 0.00 175.10 174.91 2jwk s PRO 75 N -0.27 3.42 0.31 2.72 0.04 -1.26 -4.82 135.00 135.14 2jwk s PRO 75 Ca 0.29 1.14 0.02 0.00 0.04 0.00 0.00 61.00 62.49 2jwk s PRO 75 Cb -0.18 -2.05 0.52 0.00 0.04 0.00 0.00 34.50 32.84 2jwk s PRO 75 CO 0.16 -0.72 1.86 -0.92 0.04 0.00 0.00 177.00 177.41 2jwk h TYR 76 N 0.46 0.67 -0.83 0.56 3.20 -1.97 -2.14 116.97 116.92 2jwk h TYR 76 Ca -0.47 -0.06 0.11 0.00 3.14 0.00 0.00 58.73 61.46 2jwk h TYR 76 Cb 1.21 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 2jwk h TYR 76 CO 0.60 0.61 0.54 0.93 -1.64 0.00 0.00 178.16 179.19 2jwk h GLU 77 N 0.63 0.69 -0.09 1.82 5.08 -2.00 0.00 114.58 120.71 2jwk h GLU 77 Ca 0.14 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 2jwk h GLU 77 Cb 0.31 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jwk h GLU 77 CO 0.00 0.46 -0.66 0.93 -1.00 0.00 0.00 179.01 178.74 2jwk h GLU 78 N 0.71 0.38 -0.77 2.33 3.07 -1.77 -2.57 114.58 115.96 2jwk h GLU 78 Ca 0.40 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 2jwk h GLU 78 Cb 0.56 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.48 2jwk h GLU 78 CO -0.16 0.91 0.36 0.28 -1.40 0.00 0.00 179.01 178.99 2jwk h VAL 79 N 0.27 1.24 -0.09 3.13 2.07 -0.80 -1.62 116.25 120.46 2jwk h VAL 79 Ca -0.02 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.81 2jwk h VAL 79 Cb 1.21 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2jwk h VAL 79 CO 0.11 0.30 0.03 0.40 0.02 0.00 0.00 177.57 178.42 2jwk h ILE 80 N 1.10 0.97 -0.71 4.57 1.08 -1.01 -1.66 117.51 121.85 2jwk h ILE 80 Ca 0.26 -0.02 0.11 0.00 -0.39 0.00 0.00 64.86 64.82 2jwk h ILE 80 Cb 0.13 0.90 -0.08 0.00 -3.07 0.00 0.00 36.82 34.70 2jwk h ILE 80 CO -0.03 0.01 0.32 0.11 -0.69 0.00 0.00 178.15 177.87 2jwk h LYS 81 N 0.07 0.50 0.13 2.37 1.57 -1.03 0.43 116.57 120.61 2jwk h LYS 81 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jwk h LYS 81 Cb 0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2jwk h LYS 81 CO -0.04 0.33 -0.11 0.00 -0.57 0.00 0.00 179.45 179.06 2jwk h ALA 82 N 1.47 -0.23 -0.67 3.86 0.00 -0.80 0.28 119.26 123.18 2jwk h ALA 82 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2jwk h ALA 82 Cb 0.47 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2jwk h ALA 82 CO -0.33 -0.64 0.43 -0.07 0.00 0.00 0.00 179.25 178.64 2jwk h LEU 83 N -0.25 0.78 -0.73 0.00 3.38 -0.64 -1.44 115.31 116.40 2jwk h LEU 83 Ca -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2jwk h LEU 83 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2jwk h LEU 83 CO -0.02 0.58 0.36 -1.13 0.09 0.00 0.00 178.44 178.32 2jwk h ASN 84 N 0.91 0.95 -0.68 -0.43 -0.73 0.67 -1.95 115.58 114.33 2jwk h ASN 84 Ca 0.24 -0.13 -0.06 0.00 1.87 0.00 0.00 56.30 58.23 2jwk h ASN 84 Cb -0.08 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.23 2jwk h ASN 84 CO -0.05 0.81 0.19 -0.07 -0.37 0.00 0.00 177.43 177.94 2jwk h LEU 85 N 1.03 1.02 -0.63 0.34 3.38 0.58 -1.33 115.31 119.69 2jwk h LEU 85 Ca 0.25 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 85 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2jwk h LEU 85 CO -0.03 0.96 0.21 -0.07 0.09 0.00 0.00 178.44 179.59 2jwk h LEU 86 N 1.03 0.90 -0.70 1.67 -0.00 -1.08 -2.59 115.31 114.55 2jwk h LEU 86 Ca 0.22 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 57.86 2jwk h LEU 86 Cb 0.33 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 2jwk h LEU 86 CO -0.00 0.86 0.27 -0.74 -0.00 0.00 0.00 178.44 178.83 2jwk h HIS 87 N 0.90 1.08 -0.87 1.13 2.76 -1.02 0.06 115.15 119.19 2jwk h HIS 87 Ca 0.20 -0.09 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 2jwk h HIS 87 Cb 0.27 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 2jwk h HIS 87 CO 0.02 0.84 0.57 -0.07 -1.30 0.00 0.00 177.93 177.99 2jwk h LEU 88 N 1.01 0.91 -1.47 0.26 3.38 -0.90 -1.05 115.31 117.44 2jwk h LEU 88 Ca 0.23 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jwk h LEU 88 Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jwk h LEU 88 CO -0.02 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.12 2jwk n ALA 89 N -2.40 2.49 -3.44 1.53 0.00 -1.01 -4.93 120.51 112.74 2jwk n ALA 89 Ca 0.12 -0.69 -0.19 0.00 0.00 0.00 0.00 53.44 52.67 2jwk n ALA 89 Cb 0.14 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.70 2jwk n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwk n GLY 90 N 1.07 -0.39 0.11 0.00 0.00 -0.40 -4.91 105.19 100.67 2jwk n GLY 90 Ca 0.13 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 2jwk n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jwk n ILE 91 N -4.43 1.36 -1.65 -0.61 5.41 -0.02 -5.02 119.36 114.39 2jwk n ILE 91 Ca -0.12 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 62.95 2jwk n ILE 91 Cb 0.60 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72