#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwk h SER 20 N 0.00 0.38 -3.13 1.61 0.02 -2.03 -3.41 113.55 107.00 2jwk h SER 20 Ca 0.00 -0.06 -0.67 0.00 -0.84 0.00 0.00 61.79 60.22 2jwk h SER 20 Cb 0.00 -0.10 -0.34 0.00 0.14 0.00 0.00 62.40 62.10 2jwk h SER 20 CO 0.00 0.45 -0.84 -0.69 -1.14 0.00 0.00 176.83 174.61 2jwk s VAL 21 N -4.96 2.24 1.11 2.27 1.01 -1.26 -5.10 120.40 115.71 2jwk s VAL 21 Ca -0.07 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 2jwk s VAL 21 Cb 0.16 -1.94 0.14 0.00 0.00 0.00 0.00 36.38 34.73 2jwk s VAL 21 CO 0.75 0.53 0.12 -2.65 0.00 0.00 0.00 175.10 173.85 2jwk n PRO 22 N 4.53 -2.02 -4.04 2.72 -0.02 -1.26 -4.27 135.00 130.63 2jwk n PRO 22 Ca -0.20 -0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 60.35 2jwk n PRO 22 Cb 0.50 -1.63 -0.15 0.00 -0.02 0.00 0.00 33.50 32.21 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 -2.17 2.82 -0.16 -1.45 1.01 0.55 -3.60 120.40 117.40 2jwk s VAL 23 Ca 0.50 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2jwk s VAL 23 Cb -0.09 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2jwk s VAL 23 CO 0.55 0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 175.43 2jwk s ILE 24 N 1.34 3.49 -0.19 2.22 1.09 -0.35 -2.23 121.20 126.56 2jwk s ILE 24 Ca 0.04 -0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 59.09 2jwk s ILE 24 Cb -0.14 -2.52 0.00 0.00 -1.06 0.00 0.00 42.46 38.75 2jwk s ILE 24 CO -0.07 0.49 -0.12 -0.22 -0.10 0.00 0.00 174.94 174.93 2jwk s LEU 25 N 0.59 2.56 -0.17 2.97 0.20 -0.75 0.20 118.68 124.28 2jwk s LEU 25 Ca -0.05 -0.49 -0.03 0.00 0.69 0.00 0.00 54.13 54.25 2jwk s LEU 25 Cb -0.15 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 2jwk s LEU 25 CO 0.03 0.01 -0.04 -1.61 -0.29 0.00 0.00 176.35 174.44 2jwk s GLU 26 N 1.28 3.57 -0.25 1.98 2.02 0.11 -2.11 118.70 125.30 2jwk s GLU 26 Ca 0.03 -0.56 -0.25 0.00 0.02 0.00 0.00 54.97 54.21 2jwk s GLU 26 Cb -0.14 -2.92 -0.00 0.00 0.10 0.00 0.00 34.13 31.17 2jwk s GLU 26 CO -0.06 0.12 0.85 0.08 0.02 0.00 0.00 175.26 176.27 2jwk s VAL 27 N 0.66 4.81 -0.08 2.63 1.01 -0.06 -1.09 120.40 128.28 2jwk s VAL 27 Ca -0.03 1.58 0.20 0.00 0.00 0.00 0.00 61.98 63.73 2jwk s VAL 27 Cb -0.15 -4.14 -0.30 0.00 0.00 0.00 0.00 36.38 31.79 2jwk s VAL 27 CO 0.02 -0.11 0.33 0.00 0.00 0.00 0.00 175.10 175.35 2jwk n ALA 28 N 6.07 2.37 -2.00 5.51 0.00 -0.98 -2.52 120.51 128.96 2jwk n ALA 28 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2jwk n ALA 28 Cb 0.47 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2jwk n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwk n GLY 29 N 1.48 0.12 3.12 0.00 0.00 -1.22 -4.82 105.19 103.87 2jwk n GLY 29 Ca -0.13 0.51 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 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 2.68 3.37 0.00 -0.61 -1.09 -1.26 -4.59 121.20 119.69 2jwk s ILE 30 Ca 0.00 -2.17 0.00 0.00 -2.23 0.00 0.00 60.65 56.25 2jwk s ILE 30 Cb 0.00 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 2jwk s ILE 30 CO 0.00 -0.72 0.00 0.61 -1.23 0.00 0.00 174.94 173.60 2jwk n GLY 31 N 4.46 1.24 3.56 6.18 0.00 -1.26 -5.03 105.19 114.34 2jwk n GLY 31 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.32 3.79 0.05 1.61 3.01 -1.26 -3.94 119.74 122.68 2jwk s LYS 32 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 55.97 54.52 2jwk s LYS 32 Cb 0.00 -3.04 -0.03 0.00 -1.01 0.00 0.00 37.83 33.74 2jwk s LYS 32 CO 0.00 0.27 -0.04 0.71 0.51 0.00 0.00 175.35 176.80 2jwk s TYR 33 N 0.31 0.55 0.01 3.18 1.51 -0.85 -2.33 117.35 119.73 2jwk s TYR 33 Ca -0.01 -0.86 0.07 0.00 -1.01 0.00 0.00 57.07 55.26 2jwk s TYR 33 Cb -0.13 -0.37 -0.02 0.00 -0.11 0.00 0.00 41.96 41.33 2jwk s TYR 33 CO 0.02 -0.27 -0.20 0.00 -1.11 0.00 0.00 175.55 173.99 2jwk s ALA 34 N -3.07 1.69 -0.02 3.71 0.00 -0.25 -1.82 121.76 122.00 2jwk s ALA 34 Ca 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2jwk s ALA 34 Cb 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2jwk s ALA 34 CO -0.06 0.40 -0.07 0.96 0.00 0.00 0.00 175.76 176.99 2jwk s ILE 35 N -0.59 0.63 -0.25 0.00 -4.36 0.15 0.06 121.20 116.84 2jwk s ILE 35 Ca 0.08 -0.27 -0.04 0.00 -0.26 0.00 0.00 60.65 60.16 2jwk s ILE 35 Cb -0.08 -0.58 0.01 0.00 1.25 0.00 0.00 42.46 43.06 2jwk s ILE 35 CO 0.00 0.21 -0.03 -0.44 0.24 0.00 0.00 174.94 174.92 2jwk s SER 36 N 0.28 4.46 -0.29 4.36 0.01 0.13 0.43 113.70 123.09 2jwk s SER 36 Ca -0.04 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 2jwk s SER 36 Cb -0.08 -1.74 0.05 0.00 0.21 0.00 0.00 66.02 64.46 2jwk s SER 36 CO 0.00 -0.09 -0.03 -0.63 0.41 0.00 0.00 173.24 172.90 2jwk s ILE 37 N 1.43 2.81 -1.54 1.44 1.01 0.19 -1.22 121.20 125.32 2jwk s ILE 37 Ca 0.03 -1.41 -0.10 0.00 0.00 0.00 0.00 60.65 59.18 2jwk s ILE 37 Cb -0.16 -2.61 0.08 0.00 0.01 0.00 0.00 42.46 39.78 2jwk s ILE 37 CO -0.03 -0.06 0.68 0.61 0.00 0.00 0.00 174.94 176.14 2jwk n GLY 38 N 4.59 -0.36 1.18 6.18 0.00 -1.24 -1.10 105.19 114.45 2jwk n GLY 38 Ca -0.14 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.68 3.11 3.71 -0.02 0.00 -1.26 -5.03 105.19 104.01 2jwk n GLY 39 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.36 4.32 -0.13 1.61 2.12 -0.25 -5.06 118.70 120.95 2jwk s GLU 40 Ca 0.00 0.55 -0.04 0.00 0.36 0.00 0.00 54.97 55.84 2jwk s GLU 40 Cb 0.00 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 2jwk s GLU 40 CO 0.00 0.05 0.00 0.50 -0.54 0.00 0.00 175.26 175.28 2jwk s ARG 41 N 0.94 3.39 -0.15 4.30 3.00 -1.26 0.56 118.95 129.74 2jwk s ARG 41 Ca 0.28 -0.42 0.01 0.00 -1.00 0.00 0.00 55.73 54.60 2jwk s ARG 41 Cb -0.16 -2.92 -0.00 0.00 0.00 0.00 0.00 34.95 31.87 2jwk s ARG 41 CO 0.12 0.48 -0.17 -0.65 0.00 0.00 0.00 175.30 175.08 2jwk s GLN 42 N -0.27 3.18 0.22 5.12 -0.21 0.17 -4.96 119.66 122.91 2jwk s GLN 42 Ca 0.06 -0.78 0.10 0.00 0.02 0.00 0.00 55.36 54.77 2jwk s GLN 42 Cb -0.12 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 2jwk s GLN 42 CO 0.02 0.04 -0.14 -2.00 -2.12 0.00 0.00 175.29 171.09 2jwk s GLU 43 N 0.74 1.86 0.00 2.91 2.12 -1.26 -0.67 118.70 124.40 2jwk s GLU 43 Ca -0.07 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 53.77 2jwk s GLU 43 Cb -0.16 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.25 2jwk s GLU 43 CO 0.01 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 2jwk n GLY 44 N -0.22 0.40 3.85 -1.50 0.00 -1.22 -5.03 105.19 101.48 2jwk n GLY 44 Ca -0.09 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 4.13 0.63 0.99 1.43 -0.76 -4.92 118.68 120.18 2jwk s LEU 45 Ca 0.00 1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 54.26 2jwk s LEU 45 Cb 0.00 -3.88 0.06 0.00 0.03 0.00 0.00 46.19 42.40 2jwk s LEU 45 CO 0.00 -0.13 0.89 0.42 0.23 0.00 0.00 176.35 177.76 2jwk s THR 46 N -1.87 2.45 0.11 5.49 -4.23 -1.26 -2.01 115.64 114.31 2jwk s THR 46 Ca 0.50 -0.53 -0.16 0.00 -1.18 0.00 0.00 61.69 60.33 2jwk s THR 46 Cb -0.11 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 2jwk s THR 46 CO 0.19 0.00 1.54 1.05 -0.54 0.00 0.00 174.62 176.86 2jwk h GLU 47 N -0.26 0.62 -0.69 3.99 4.11 -1.99 0.42 114.58 120.77 2jwk h GLU 47 Ca -0.42 -0.21 -0.05 0.00 0.07 0.00 0.00 59.36 58.75 2jwk h GLU 47 Cb 1.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2jwk h GLU 47 CO 0.52 0.75 0.23 0.93 0.07 0.00 0.00 179.01 181.51 2jwk h GLU 48 N 0.42 1.05 -0.24 1.06 4.39 -1.95 -1.93 114.58 117.38 2jwk h GLU 48 Ca 0.09 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 2jwk h GLU 48 Cb 0.49 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2jwk h GLU 48 CO 0.02 0.89 -0.25 0.52 -1.16 0.00 0.00 179.01 179.03 2jwk h MET 49 N 1.02 0.60 -0.50 2.33 2.86 -1.92 -2.34 114.93 116.98 2jwk h MET 49 Ca 0.23 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2jwk h MET 49 Cb 0.27 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2jwk h MET 49 CO -0.01 0.92 0.33 -0.24 1.06 0.00 0.00 176.91 178.97 2jwk h VAL 50 N 0.30 1.10 0.02 -2.22 3.04 -0.74 -1.86 116.25 115.90 2jwk h VAL 50 Ca 0.04 -0.22 -0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2jwk h VAL 50 Cb 0.81 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2jwk h VAL 50 CO 0.06 0.12 -0.01 0.74 -1.01 0.00 0.00 177.57 177.47 2jwk h THR 51 N 0.63 1.13 -0.35 3.17 2.02 -1.21 -0.19 112.91 118.11 2jwk h THR 51 Ca 0.19 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 67.01 2jwk h THR 51 Cb -0.01 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.74 2jwk h THR 51 CO -0.04 0.11 -0.22 -0.61 0.37 0.00 0.00 175.52 175.12 2jwk h GLN 52 N -0.22 -0.17 -0.12 6.66 5.75 -0.81 0.35 115.11 126.56 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 0.21 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 2jwk h GLN 52 CO 0.00 -0.11 0.03 -0.07 -2.65 0.00 0.00 178.83 176.03 2jwk h LEU 53 N -0.18 0.18 -0.75 -2.39 3.38 -1.32 -0.45 115.31 113.78 2jwk h LEU 53 Ca 0.18 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2jwk h LEU 53 Cb 0.45 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2jwk h LEU 53 CO -0.46 0.37 0.48 0.28 0.09 0.00 0.00 178.44 179.21 2jwk h SER 54 N -0.02 0.82 -0.34 -0.43 0.02 -0.58 -0.42 113.55 112.60 2jwk h SER 54 Ca 0.04 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2jwk h SER 54 Cb 0.27 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2jwk h SER 54 CO 0.00 0.58 -0.03 0.03 -1.14 0.00 0.00 176.83 176.26 2jwk h ARG 55 N 0.97 0.62 -0.71 3.45 2.47 -0.23 -1.09 114.38 119.86 2jwk h ARG 55 Ca 0.29 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.73 2jwk h ARG 55 Cb -0.05 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 2jwk h ARG 55 CO -0.09 0.77 0.19 0.37 0.56 0.00 0.00 179.97 181.77 2jwk h GLN 56 N 0.42 1.12 -0.27 0.04 4.15 -0.75 -0.54 115.11 119.27 2jwk h GLN 56 Ca 0.09 -0.26 -0.17 0.00 0.77 0.00 0.00 58.65 59.09 2jwk h GLN 56 Cb 0.51 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2jwk h GLN 56 CO 0.02 0.98 -0.51 0.93 -1.93 0.00 0.00 178.83 178.33 2jwk h GLU 57 N 1.07 0.76 -0.07 1.69 4.39 -1.01 -2.09 114.58 119.32 2jwk h GLU 57 Ca 0.23 -0.45 -0.12 0.00 0.34 0.00 0.00 59.36 59.36 2jwk h GLU 57 Cb 0.35 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jwk h GLU 57 CO -0.00 1.08 -0.48 0.35 -1.16 0.00 0.00 179.01 178.80 2jwk h PHE 58 N 0.59 0.21 0.00 4.33 3.57 -0.97 0.12 116.94 124.78 2jwk h PHE 58 Ca 0.02 -0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.31 2jwk h PHE 58 Cb 1.08 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2jwk h PHE 58 CO 0.06 0.62 -0.72 0.22 -2.23 0.00 0.00 178.31 176.26 2jwk h ASP 59 N 0.14 0.00 0.46 0.41 1.82 -1.02 -3.04 116.42 115.19 2jwk h ASP 59 Ca 0.01 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 2jwk h ASP 59 Cb 0.90 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 2jwk h ASP 59 CO 0.07 0.72 -1.55 0.50 -1.61 0.00 0.00 179.24 177.36 2jwk h LYS 60 N 0.00 0.21 -3.44 0.28 3.64 -1.23 -3.42 116.57 112.62 2jwk h LYS 60 Ca -0.01 -0.36 -0.59 0.00 -1.27 0.00 0.00 60.65 58.42 2jwk h LYS 60 Cb 1.47 0.13 -0.40 0.00 -0.41 0.00 0.00 32.23 33.02 2jwk h LYS 60 CO 0.09 1.05 -0.75 -0.51 -2.27 0.00 0.00 179.45 177.06 2jwk s ASP 61 N -6.88 3.94 0.00 4.20 1.01 0.39 -4.99 116.67 114.34 2jwk s ASP 61 Ca -0.09 -1.95 0.25 0.00 0.71 0.00 0.00 52.55 51.47 2jwk s ASP 61 Cb 0.07 -0.94 1.44 0.00 1.01 0.00 0.00 42.92 44.50 2jwk s ASP 61 CO 0.84 -0.37 1.83 0.59 0.21 0.00 0.00 175.17 178.27 2jwk n ASN 62 N 4.44 0.00 -0.14 0.27 4.13 -1.15 -3.07 115.26 119.74 2jwk n ASN 62 Ca 0.02 -0.67 0.07 0.00 1.68 0.00 0.00 54.58 55.67 2jwk n ASN 62 Cb 0.40 -0.04 0.11 0.00 -1.54 0.00 0.00 39.78 38.71 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 -1.04 2.40 -4.66 6.41 4.13 -1.26 -5.03 115.26 116.22 2jwk n ASN 63 Ca 0.18 -2.74 -0.43 0.00 1.68 0.00 0.00 54.58 53.27 2jwk n ASN 63 Cb 0.10 -0.31 -0.03 0.00 -1.54 0.00 0.00 39.78 38.00 2jwk n ASN 63 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2jwk s THR 64 N -2.29 3.78 0.09 3.41 2.01 -1.17 -4.91 115.64 116.57 2jwk s THR 64 Ca 0.24 0.94 -0.31 0.00 0.31 0.00 0.00 61.69 62.87 2jwk s THR 64 Cb 0.20 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.98 2jwk s THR 64 CO 0.03 -0.12 1.70 -0.22 -0.69 0.00 0.00 174.62 175.32 2jwk s LEU 65 N 4.09 4.38 -0.10 4.42 2.96 -1.26 -4.83 118.68 128.32 2jwk s LEU 65 Ca 0.68 2.58 0.01 0.00 -0.22 0.00 0.00 54.13 57.18 2jwk s LEU 65 Cb -0.29 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.82 2jwk s LEU 65 CO 0.26 -0.92 -0.14 -0.36 -1.32 0.00 0.00 176.35 173.87 2jwk s PHE 66 N 2.55 2.77 0.01 5.38 0.08 -1.26 -0.33 117.98 127.18 2jwk s PHE 66 Ca 0.76 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 57.33 2jwk s PHE 66 Cb -0.42 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 2jwk s PHE 66 CO 0.33 -0.09 -0.06 -0.48 -0.10 0.00 0.00 175.22 174.83 2jwk s LEU 67 N 0.00 2.07 -0.11 -0.37 0.05 -0.95 -5.00 118.68 114.37 2jwk s LEU 67 Ca -0.04 -0.20 0.02 0.00 0.05 0.00 0.00 54.13 53.96 2jwk s LEU 67 Cb -0.14 -0.26 0.01 0.00 -2.05 0.00 0.00 46.19 43.75 2jwk s LEU 67 CO 0.04 0.01 -0.18 -0.69 -0.55 0.00 0.00 176.35 174.98 2jwk s VAL 68 N -0.42 1.69 0.02 1.48 1.01 -1.26 -1.81 120.40 121.12 2jwk s VAL 68 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2jwk s VAL 68 Cb -0.04 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2jwk s VAL 68 CO -0.00 0.48 -0.07 -0.83 0.00 0.00 0.00 175.10 174.68 2jwk s GLY 69 N 0.84 0.41 0.18 4.51 0.00 -0.90 -5.03 107.32 107.34 2jwk s GLY 69 Ca -0.09 -0.54 0.10 0.00 0.00 0.00 0.00 44.72 44.19 2jwk s GLY 69 CO -0.00 -0.55 -0.21 -0.32 0.00 0.00 0.00 173.10 172.01 2jwk s GLY 70 N -0.96 1.55 0.78 0.20 0.00 -1.26 -0.88 107.32 106.75 2jwk s GLY 70 Ca -0.05 -1.56 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 2jwk s GLY 70 CO 0.00 -1.60 1.10 0.00 0.00 0.00 0.00 173.10 172.61 2jwk s ALA 71 N -1.82 2.39 0.46 3.20 0.00 -1.05 -4.91 121.76 120.03 2jwk s ALA 71 Ca 0.18 -0.26 0.17 0.00 0.00 0.00 0.00 51.96 52.04 2jwk s ALA 71 Cb -0.07 -3.08 1.14 0.00 0.00 0.00 0.00 23.12 21.11 2jwk s ALA 71 CO 0.08 -1.62 1.99 0.87 0.00 0.00 0.00 175.76 177.09 2jwk h LYS 72 N -1.01 0.28 -0.00 0.00 6.56 -1.98 0.07 116.57 120.49 2jwk h LYS 72 Ca -0.47 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2jwk h LYS 72 Cb 1.27 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2jwk h LYS 72 CO 0.61 0.18 -0.03 0.39 -2.06 0.00 0.00 179.45 178.53 2jwk n GLU 73 N -4.45 0.47 -2.96 3.15 1.02 -1.26 -4.81 120.64 111.80 2jwk n GLU 73 Ca 0.09 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.78 2jwk n GLU 73 Cb 0.42 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.56 4.92 0.54 2.62 1.01 0.01 -5.00 120.40 121.94 2jwk s VAL 74 Ca 0.28 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 63.71 2jwk s VAL 74 Cb 0.20 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 2jwk s VAL 74 CO 0.47 0.26 1.04 -2.16 0.00 0.00 0.00 175.10 174.71 2jwk s PRO 75 N 0.61 3.59 0.28 2.72 0.04 -1.26 -4.85 135.00 136.12 2jwk s PRO 75 Ca 0.41 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 2jwk s PRO 75 Cb -0.19 -2.07 0.39 0.00 0.04 0.00 0.00 34.50 32.66 2jwk s PRO 75 CO 0.21 -0.59 1.81 -0.92 0.04 0.00 0.00 177.00 177.55 2jwk h TYR 76 N 0.95 0.84 -0.79 0.56 3.20 -1.97 -2.29 116.97 117.47 2jwk h TYR 76 Ca -0.48 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.40 2jwk h TYR 76 Cb 1.22 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 2jwk h TYR 76 CO 0.58 0.73 0.52 0.93 -1.64 0.00 0.00 178.16 179.28 2jwk h GLU 77 N 0.78 0.72 -0.16 1.82 5.08 -2.00 -0.33 114.58 120.48 2jwk h GLU 77 Ca 0.17 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.31 2jwk h GLU 77 Cb 0.34 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jwk h GLU 77 CO 0.00 0.48 -0.60 1.49 -1.00 0.00 0.00 179.01 179.38 2jwk h GLU 78 N 0.74 0.54 -0.82 2.33 4.57 -1.80 -2.48 114.58 117.66 2jwk h GLU 78 Ca 0.36 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2jwk h GLU 78 Cb 0.43 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 2jwk h GLU 78 CO -0.14 0.98 0.44 0.28 -1.18 0.00 0.00 179.01 179.40 2jwk h VAL 79 N 0.41 1.24 0.04 0.32 2.07 -0.78 -1.28 116.25 118.27 2jwk h VAL 79 Ca -0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2jwk h VAL 79 Cb 1.15 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2jwk h VAL 79 CO 0.11 0.27 -0.04 0.40 0.02 0.00 0.00 177.57 178.33 2jwk h ILE 80 N 1.15 0.91 -0.71 4.57 1.08 -0.98 -1.59 117.51 121.93 2jwk h ILE 80 Ca 0.29 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.86 2jwk h ILE 80 Cb 0.03 0.91 -0.08 0.00 -3.07 0.00 0.00 36.82 34.62 2jwk h ILE 80 CO -0.05 0.00 0.34 0.11 -0.69 0.00 0.00 178.15 177.86 2jwk h LYS 81 N -0.09 0.54 -0.22 2.37 1.57 -0.98 0.37 116.57 120.13 2jwk h LYS 81 Ca 0.00 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2jwk h LYS 81 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2jwk h LYS 81 CO -0.01 0.36 0.08 0.00 -0.57 0.00 0.00 179.45 179.31 2jwk h ALA 82 N 1.45 0.25 -0.53 3.86 0.00 -0.84 0.22 119.26 123.68 2jwk h ALA 82 Ca 0.36 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2jwk h ALA 82 Cb 0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2jwk h ALA 82 CO -0.30 -0.34 0.22 -0.07 0.00 0.00 0.00 179.25 178.76 2jwk h LEU 83 N 0.19 0.68 -0.73 0.00 3.38 -0.43 -1.96 115.31 116.44 2jwk h LEU 83 Ca 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jwk h LEU 83 Cb 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2jwk h LEU 83 CO -0.09 0.61 0.39 -1.13 0.09 0.00 0.00 178.44 178.31 2jwk h ASN 84 N 0.75 0.92 -0.61 -0.43 -0.73 0.10 -1.84 115.58 113.73 2jwk h ASN 84 Ca 0.18 -0.11 -0.06 0.00 1.87 0.00 0.00 56.30 58.18 2jwk h ASN 84 Cb 0.14 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.47 2jwk h ASN 84 CO -0.02 0.76 0.15 -0.07 -0.37 0.00 0.00 177.43 177.88 2jwk h LEU 85 N 1.00 0.95 -0.64 0.34 3.38 0.12 -1.32 115.31 119.14 2jwk h LEU 85 Ca 0.25 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 85 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2jwk h LEU 85 CO -0.04 0.93 0.19 -0.07 0.09 0.00 0.00 178.44 179.54 2jwk h LEU 86 N 0.96 0.94 -0.54 1.67 -0.00 -1.10 -2.59 115.31 114.65 2jwk h LEU 86 Ca 0.20 -0.21 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 2jwk h LEU 86 Cb 0.35 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 2jwk h LEU 86 CO 0.00 0.91 0.20 -0.74 -0.00 0.00 0.00 178.44 178.81 2jwk h HIS 87 N 0.93 0.84 -0.95 1.13 2.76 -0.98 0.21 115.15 119.10 2jwk h HIS 87 Ca 0.21 -0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 2jwk h HIS 87 Cb 0.31 -0.25 -0.06 0.00 1.55 0.00 0.00 27.41 28.96 2jwk h HIS 87 CO 0.02 0.70 0.61 -0.07 -1.30 0.00 0.00 177.93 177.90 2jwk h LEU 88 N 0.74 0.95 -1.80 0.26 3.38 -0.98 -0.94 115.31 116.92 2jwk h LEU 88 Ca 0.18 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jwk h LEU 88 Cb 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jwk h LEU 88 CO -0.01 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.12 2jwk n ALA 89 N -2.38 2.67 -3.58 1.53 0.00 -1.00 -4.93 120.51 112.82 2jwk n ALA 89 Ca 0.15 -0.83 -0.22 0.00 0.00 0.00 0.00 53.44 52.54 2jwk n ALA 89 Cb 0.21 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 0.94 -0.44 0.21 0.00 0.00 -0.36 -4.91 105.19 100.64 2jwk n GLY 90 Ca 0.15 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.57 1.05 -0.63 -0.61 5.41 0.69 -5.01 119.36 115.68 2jwk n ILE 91 Ca -0.13 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.27 2jwk n ILE 91 Cb 0.61 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72