#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 0.78 -3.33 1.61 0.87 -2.03 -3.42 113.55 108.03 2jwk h SER 20 Ca 0.00 -0.41 -0.66 0.00 -1.23 0.00 0.00 61.79 59.49 2jwk h SER 20 Cb 0.00 -0.22 -0.30 0.00 -0.44 0.00 0.00 62.40 61.44 2jwk h SER 20 CO 0.00 1.02 -0.76 -0.69 -0.53 0.00 0.00 176.83 175.87 2jwk s VAL 21 N -4.61 2.95 1.06 2.23 1.01 -1.26 -5.12 120.40 116.66 2jwk s VAL 21 Ca -0.12 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 2jwk s VAL 21 Cb 0.10 -2.35 0.13 0.00 0.00 0.00 0.00 36.38 34.26 2jwk s VAL 21 CO 0.83 0.41 0.10 -2.65 0.00 0.00 0.00 175.10 173.78 2jwk n PRO 22 N 4.73 -1.97 -3.89 2.72 -0.02 -1.26 -4.19 135.00 131.11 2jwk n PRO 22 Ca -0.19 -0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 60.37 2jwk n PRO 22 Cb 0.50 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.31 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 -2.13 3.40 -0.16 -1.45 1.01 -0.22 -3.60 120.40 117.25 2jwk s VAL 23 Ca 0.44 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 2jwk s VAL 23 Cb -0.07 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2jwk s VAL 23 CO 0.48 0.36 -0.07 -0.63 0.00 0.00 0.00 175.10 175.24 2jwk s ILE 24 N 1.47 3.52 -0.18 2.22 1.09 -0.24 -2.18 121.20 126.90 2jwk s ILE 24 Ca 0.05 -0.48 -0.01 0.00 -1.10 0.00 0.00 60.65 59.11 2jwk s ILE 24 Cb -0.15 -2.54 0.00 0.00 -1.06 0.00 0.00 42.46 38.71 2jwk s ILE 24 CO -0.03 0.48 -0.13 -0.22 -0.10 0.00 0.00 174.94 174.95 2jwk s LEU 25 N 0.62 2.52 -0.17 2.97 0.20 -0.78 0.59 118.68 124.63 2jwk s LEU 25 Ca -0.04 -0.49 -0.03 0.00 0.69 0.00 0.00 54.13 54.26 2jwk s LEU 25 Cb -0.15 -1.60 -0.02 0.00 -0.43 0.00 0.00 46.19 44.00 2jwk s LEU 25 CO 0.03 0.04 -0.05 -0.70 -0.29 0.00 0.00 176.35 175.37 2jwk s GLU 26 N 1.11 3.55 -0.57 1.98 -6.30 0.13 -1.77 118.70 116.84 2jwk s GLU 26 Ca 0.00 -0.58 -0.24 0.00 -2.50 0.00 0.00 54.97 51.65 2jwk s GLU 26 Cb -0.14 -2.90 0.04 0.00 0.00 0.00 0.00 34.13 31.13 2jwk s GLU 26 CO -0.04 0.12 0.97 0.08 0.02 0.00 0.00 175.26 176.41 2jwk s VAL 27 N 0.66 4.33 -0.24 3.70 1.01 0.20 -0.99 120.40 129.07 2jwk s VAL 27 Ca -0.03 0.30 0.20 0.00 0.00 0.00 0.00 61.98 62.45 2jwk s VAL 27 Cb -0.15 -4.58 0.06 0.00 0.00 0.00 0.00 36.38 31.72 2jwk s VAL 27 CO 0.02 -1.18 1.21 0.00 0.00 0.00 0.00 175.10 175.16 2jwk h ALA 28 N 9.37 0.69 -3.00 5.51 0.00 -1.76 -2.54 119.26 127.53 2jwk h ALA 28 Ca -0.26 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jwk h ALA 28 Cb 1.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jwk h ALA 28 CO 1.11 0.33 0.00 0.41 0.00 0.00 0.00 179.25 181.10 2jwk n GLY 29 N 1.22 -0.08 3.11 0.00 0.00 -1.21 -4.88 105.19 103.35 2jwk n GLY 29 Ca -0.01 0.54 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 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 2.79 3.35 0.00 -0.61 -1.09 -1.26 -4.59 121.20 119.79 2jwk s ILE 30 Ca 0.00 -2.26 0.00 0.00 -2.23 0.00 0.00 60.65 56.16 2jwk s ILE 30 Cb 0.00 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 2jwk s ILE 30 CO 0.00 -0.73 0.00 0.61 -1.23 0.00 0.00 174.94 173.59 2jwk n GLY 31 N 4.35 1.33 3.56 6.18 0.00 -1.26 -5.03 105.19 114.31 2jwk n GLY 31 Ca -0.00 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 -0.40 3.82 0.09 1.61 3.01 -1.26 -4.03 119.74 122.57 2jwk s LYS 32 Ca 0.00 -0.43 0.03 0.00 -1.01 0.00 0.00 55.97 54.56 2jwk s LYS 32 Cb 0.00 -3.12 -0.04 0.00 -1.01 0.00 0.00 37.83 33.67 2jwk s LYS 32 CO 0.00 0.20 -0.08 0.71 0.51 0.00 0.00 175.35 176.69 2jwk s TYR 33 N 0.54 0.90 0.00 3.18 2.02 -0.88 -2.18 117.35 120.93 2jwk s TYR 33 Ca 0.01 -0.73 0.07 0.00 -0.37 0.00 0.00 57.07 56.05 2jwk s TYR 33 Cb -0.13 -0.51 -0.02 0.00 -0.40 0.00 0.00 41.96 40.89 2jwk s TYR 33 CO 0.02 -0.08 -0.20 0.00 -1.57 0.00 0.00 175.55 173.71 2jwk s ALA 34 N -2.68 1.71 -0.03 3.71 0.00 -0.16 -1.84 121.76 122.45 2jwk s ALA 34 Ca 0.05 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2jwk s ALA 34 Cb -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.71 2jwk s ALA 34 CO -0.02 0.41 -0.08 0.96 0.00 0.00 0.00 175.76 177.03 2jwk s ILE 35 N -0.58 0.75 -0.27 0.00 -4.36 0.02 0.22 121.20 116.99 2jwk s ILE 35 Ca 0.08 -0.31 -0.04 0.00 -0.26 0.00 0.00 60.65 60.11 2jwk s ILE 35 Cb -0.08 -0.69 0.01 0.00 1.25 0.00 0.00 42.46 42.95 2jwk s ILE 35 CO 0.00 0.25 0.01 -0.44 0.24 0.00 0.00 174.94 175.00 2jwk s SER 36 N 0.40 4.73 -0.32 4.36 0.01 0.20 0.33 113.70 123.41 2jwk s SER 36 Ca -0.06 -0.74 -0.03 0.00 1.31 0.00 0.00 55.95 56.43 2jwk s SER 36 Cb -0.11 -1.78 0.05 0.00 0.21 0.00 0.00 66.02 64.40 2jwk s SER 36 CO 0.01 -0.15 0.04 -0.63 0.41 0.00 0.00 173.24 172.92 2jwk s ILE 37 N 1.43 3.15 -1.50 1.44 1.01 0.23 -1.08 121.20 125.87 2jwk s ILE 37 Ca 0.02 -1.41 -0.06 0.00 0.00 0.00 0.00 60.65 59.20 2jwk s ILE 37 Cb -0.17 -2.85 0.05 0.00 0.01 0.00 0.00 42.46 39.51 2jwk s ILE 37 CO -0.01 -0.18 0.53 0.61 0.00 0.00 0.00 174.94 175.89 2jwk n GLY 38 N 4.65 -0.29 1.05 6.18 0.00 -1.24 -1.16 105.19 114.38 2jwk n GLY 38 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.83 3.02 3.71 -0.02 0.00 -1.26 -5.03 105.19 103.78 2jwk n GLY 39 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2jwk n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jwk s GLU 40 N -0.22 4.35 -0.11 1.61 0.41 -0.31 -5.06 118.70 119.36 2jwk s GLU 40 Ca 0.00 0.57 -0.02 0.00 -0.41 0.00 0.00 54.97 55.11 2jwk s GLU 40 Cb 0.00 -3.46 -0.03 0.00 -1.78 0.00 0.00 34.13 28.86 2jwk s GLU 40 CO 0.00 0.09 -0.02 0.50 -0.49 0.00 0.00 175.26 175.34 2jwk s ARG 41 N 0.81 3.25 -0.15 1.61 3.00 -1.26 0.75 118.95 126.96 2jwk s ARG 41 Ca 0.29 -0.46 0.01 0.00 -1.00 0.00 0.00 55.73 54.57 2jwk s ARG 41 Cb -0.16 -2.83 0.00 0.00 0.00 0.00 0.00 34.95 31.96 2jwk s ARG 41 CO 0.12 0.51 -0.18 -0.65 0.00 0.00 0.00 175.30 175.11 2jwk s GLN 42 N -0.37 3.15 0.21 5.12 -0.21 0.15 -4.96 119.66 122.76 2jwk s GLN 42 Ca 0.07 -0.78 0.10 0.00 0.02 0.00 0.00 55.36 54.76 2jwk s GLN 42 Cb -0.12 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 2jwk s GLN 42 CO 0.02 0.02 -0.12 -2.00 -2.12 0.00 0.00 175.29 171.09 2jwk s GLU 43 N 0.79 1.96 0.00 2.91 2.12 -1.26 -0.80 118.70 124.42 2jwk s GLU 43 Ca -0.06 -1.41 0.00 0.00 0.36 0.00 0.00 54.97 53.86 2jwk s GLU 43 Cb -0.15 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.18 2jwk s GLU 43 CO -0.00 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 2jwk n GLY 44 N -0.19 0.42 3.85 -1.50 0.00 -1.22 -5.03 105.19 101.51 2jwk n GLY 44 Ca -0.09 -0.92 -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 4.15 0.65 0.99 1.43 -0.77 -4.92 118.68 120.21 2jwk s LEU 45 Ca 0.00 1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 2jwk s LEU 45 Cb 0.00 -3.87 0.07 0.00 0.03 0.00 0.00 46.19 42.42 2jwk s LEU 45 CO 0.00 -0.12 0.93 0.42 0.23 0.00 0.00 176.35 177.80 2jwk s THR 46 N -1.84 2.40 0.09 5.49 -4.23 -1.26 -2.06 115.64 114.22 2jwk s THR 46 Ca 0.50 -0.48 -0.17 0.00 -1.18 0.00 0.00 61.69 60.36 2jwk s THR 46 Cb -0.12 -2.92 -0.07 0.00 1.34 0.00 0.00 72.50 70.74 2jwk s THR 46 CO 0.19 0.00 1.51 -0.33 -0.54 0.00 0.00 174.62 175.45 2jwk h GLU 47 N -0.35 0.54 -0.67 3.99 5.08 -1.99 0.41 114.58 121.59 2jwk h GLU 47 Ca -0.42 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 57.71 2jwk h GLU 47 Cb 1.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2jwk h GLU 47 CO 0.52 0.71 0.26 0.93 -1.00 0.00 0.00 179.01 180.44 2jwk h GLU 48 N 0.31 0.98 -0.24 2.33 5.08 -1.95 -1.95 114.58 119.14 2jwk h GLU 48 Ca 0.08 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2jwk h GLU 48 Cb 0.50 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jwk h GLU 48 CO 0.02 0.81 -0.29 0.52 -1.00 0.00 0.00 179.01 179.07 2jwk h MET 49 N 0.96 0.61 -0.52 2.33 2.86 -1.92 -2.36 114.93 116.90 2jwk h MET 49 Ca 0.22 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2jwk h MET 49 Cb 0.20 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 2jwk h MET 49 CO -0.02 0.95 0.34 -0.24 1.06 0.00 0.00 176.91 179.00 2jwk h VAL 50 N 0.32 1.08 0.04 -2.22 3.04 -0.68 -1.80 116.25 116.02 2jwk h VAL 50 Ca 0.03 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2jwk h VAL 50 Cb 0.86 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2jwk h VAL 50 CO 0.07 0.11 -0.02 0.74 -1.01 0.00 0.00 177.57 177.46 2jwk h THR 51 N 0.62 1.10 -0.35 3.17 2.02 -1.21 -0.17 112.91 118.09 2jwk h THR 51 Ca 0.20 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 67.00 2jwk h THR 51 Cb 0.04 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 2jwk h THR 51 CO -0.05 0.12 -0.20 -0.61 0.37 0.00 0.00 175.52 175.14 2jwk h GLN 52 N -0.25 -0.15 -0.14 6.66 4.15 -0.83 0.21 115.11 124.76 2jwk h GLN 52 Ca -0.01 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2jwk h GLN 52 Cb 0.23 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2jwk h GLN 52 CO 0.01 -0.10 0.03 -0.07 -1.93 0.00 0.00 178.83 176.77 2jwk h LEU 53 N -0.15 0.22 -0.67 -2.39 3.38 -1.32 -0.57 115.31 113.82 2jwk h LEU 53 Ca 0.18 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2jwk h LEU 53 Cb 0.42 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2jwk h LEU 53 CO -0.44 0.41 0.39 -1.28 0.09 0.00 0.00 178.44 177.60 2jwk h SER 54 N 0.03 0.59 -0.33 -0.43 0.87 -0.54 0.34 113.55 114.07 2jwk h SER 54 Ca 0.04 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 2jwk h SER 54 Cb 0.28 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2jwk h SER 54 CO 0.00 0.39 -0.03 0.03 -0.53 0.00 0.00 176.83 176.69 2jwk h ARG 55 N 0.73 0.61 -0.72 2.24 2.47 -0.52 -1.26 114.38 117.92 2jwk h ARG 55 Ca 0.29 -0.21 -0.07 0.00 -1.26 0.00 0.00 59.98 58.73 2jwk h ARG 55 Cb 0.14 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 2jwk h ARG 55 CO -0.16 0.75 0.18 0.37 0.56 0.00 0.00 179.97 181.67 2jwk h GLN 56 N 0.40 1.15 -0.33 0.04 4.15 -0.71 -0.68 115.11 119.13 2jwk h GLN 56 Ca 0.09 -0.27 -0.16 0.00 0.77 0.00 0.00 58.65 59.08 2jwk h GLN 56 Cb 0.50 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2jwk h GLN 56 CO 0.02 1.01 -0.42 0.93 -1.93 0.00 0.00 178.83 178.44 2jwk h GLU 57 N 1.09 0.82 -0.05 1.69 4.39 -0.87 -2.29 114.58 119.35 2jwk h GLU 57 Ca 0.23 -0.44 -0.11 0.00 0.34 0.00 0.00 59.36 59.38 2jwk h GLU 57 Cb 0.37 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jwk h GLU 57 CO 0.00 1.08 -0.46 0.35 -1.16 0.00 0.00 179.01 178.82 2jwk h PHE 58 N 0.66 0.15 0.00 4.33 3.57 -1.02 0.03 116.94 124.67 2jwk h PHE 58 Ca 0.05 -0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 2jwk h PHE 58 Cb 0.99 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2jwk h PHE 58 CO 0.06 0.56 -0.74 0.22 -2.23 0.00 0.00 178.31 176.18 2jwk h ASP 59 N 0.11 0.00 0.44 0.41 1.82 -1.00 -3.19 116.42 115.01 2jwk h ASP 59 Ca 0.01 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.34 2jwk h ASP 59 Cb 0.85 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.87 2jwk h ASP 59 CO 0.07 0.74 -1.46 0.50 -1.61 0.00 0.00 179.24 177.47 2jwk h LYS 60 N 0.00 0.33 -4.14 0.28 3.64 -1.25 -3.43 116.57 112.00 2jwk h LYS 60 Ca -0.01 -0.57 -0.57 0.00 -1.27 0.00 0.00 60.65 58.23 2jwk h LYS 60 Cb 1.41 0.21 -0.38 0.00 -0.41 0.00 0.00 32.23 33.06 2jwk h LYS 60 CO 0.10 1.24 -0.79 0.34 -2.27 0.00 0.00 179.45 178.07 2jwk s ASP 61 N -7.19 3.27 0.00 4.20 -1.08 -0.02 -5.00 116.67 110.85 2jwk s ASP 61 Ca -0.08 -0.90 0.27 0.00 -0.52 0.00 0.00 52.55 51.32 2jwk s ASP 61 Cb 0.06 -0.97 0.90 0.00 -1.46 0.00 0.00 42.92 41.45 2jwk s ASP 61 CO 0.88 -0.23 1.69 0.59 0.52 0.00 0.00 175.17 178.63 2jwk n ASN 62 N 4.82 0.24 -0.76 -0.34 4.13 -1.21 -3.74 115.26 118.41 2jwk n ASN 62 Ca -0.11 0.16 0.09 0.00 1.68 0.00 0.00 54.58 56.39 2jwk n ASN 62 Cb 0.46 -0.16 0.24 0.00 -1.54 0.00 0.00 39.78 38.78 2jwk n ASN 62 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2jwk n ASN 63 N -1.51 3.62 -4.62 6.41 2.85 -1.26 -5.00 115.26 115.75 2jwk n ASN 63 Ca 0.06 -3.00 -0.43 0.00 -0.11 0.00 0.00 54.58 51.11 2jwk n ASN 63 Cb 0.34 -0.52 -0.03 0.00 1.24 0.00 0.00 39.78 40.82 2jwk n ASN 63 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2jwk s THR 64 N -2.78 3.54 0.11 -0.44 -4.23 -1.24 -4.86 115.64 105.72 2jwk s THR 64 Ca 0.40 0.59 -0.31 0.00 -1.18 0.00 0.00 61.69 61.19 2jwk s THR 64 Cb 0.33 -3.60 -0.10 0.00 1.34 0.00 0.00 72.50 70.47 2jwk s THR 64 CO 0.08 -0.29 1.75 -0.22 -0.54 0.00 0.00 174.62 175.40 2jwk s LEU 65 N 5.88 4.38 -0.15 4.79 2.96 -1.26 -4.85 118.68 130.43 2jwk s LEU 65 Ca 0.77 2.65 -0.02 0.00 -0.22 0.00 0.00 54.13 57.31 2jwk s LEU 65 Cb -0.26 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.85 2jwk s LEU 65 CO 0.32 -0.95 -0.09 -0.36 -1.32 0.00 0.00 176.35 173.94 2jwk s PHE 66 N 2.58 2.89 -0.01 5.38 0.08 -1.26 -1.06 117.98 126.58 2jwk s PHE 66 Ca 0.77 -0.61 0.03 0.00 0.12 0.00 0.00 56.93 57.24 2jwk s PHE 66 Cb -0.44 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 2jwk s PHE 66 CO 0.34 -0.22 -0.10 -0.48 -0.10 0.00 0.00 175.22 174.66 2jwk s LEU 67 N 0.54 1.98 -0.03 -0.37 0.05 -0.93 -5.01 118.68 114.92 2jwk s LEU 67 Ca -0.06 -0.19 0.05 0.00 0.05 0.00 0.00 54.13 53.98 2jwk s LEU 67 Cb -0.15 -0.53 -0.01 0.00 -2.05 0.00 0.00 46.19 43.45 2jwk s LEU 67 CO 0.03 0.12 -0.16 0.54 -0.55 0.00 0.00 176.35 176.33 2jwk s VAL 68 N -0.16 1.30 0.01 1.48 0.11 -1.26 -1.87 120.40 120.01 2jwk s VAL 68 Ca 0.03 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 2jwk s VAL 68 Cb -0.05 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 2jwk s VAL 68 CO -0.00 0.37 -0.03 -0.83 -3.33 0.00 0.00 175.10 171.28 2jwk s GLY 69 N -0.18 0.22 0.22 6.54 0.00 -0.73 -5.00 107.32 108.40 2jwk s GLY 69 Ca 0.02 -0.36 0.11 0.00 0.00 0.00 0.00 44.72 44.49 2jwk s GLY 69 CO 0.00 -0.38 -0.22 -0.32 0.00 0.00 0.00 173.10 172.19 2jwk s GLY 70 N -0.72 1.74 0.69 0.20 0.00 -1.26 -0.63 107.32 107.34 2jwk s GLY 70 Ca -0.06 -1.72 -0.11 0.00 0.00 0.00 0.00 44.72 42.83 2jwk s GLY 70 CO -0.00 -1.77 1.08 0.00 0.00 0.00 0.00 173.10 172.40 2jwk s ALA 71 N -2.05 2.90 0.48 3.20 0.00 -0.96 -4.94 121.76 120.39 2jwk s ALA 71 Ca 0.24 -0.25 0.16 0.00 0.00 0.00 0.00 51.96 52.11 2jwk s ALA 71 Cb -0.06 -3.05 1.16 0.00 0.00 0.00 0.00 23.12 21.16 2jwk s ALA 71 CO 0.11 -1.06 2.04 0.87 0.00 0.00 0.00 175.76 177.72 2jwk h LYS 72 N -0.60 0.21 -0.00 0.00 6.56 -1.97 -0.41 116.57 120.36 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 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2jwk h LYS 72 CO 0.63 0.14 -0.06 0.39 -2.06 0.00 0.00 179.45 178.49 2jwk n GLU 73 N -4.47 0.45 -2.93 3.15 1.02 -1.26 -4.81 120.64 111.80 2jwk n GLU 73 Ca 0.05 -0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 2jwk n GLU 73 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.60 4.98 0.54 2.62 1.01 -0.17 -5.02 120.40 121.76 2jwk s VAL 74 Ca 0.26 1.66 -0.18 0.00 0.00 0.00 0.00 61.98 63.72 2jwk s VAL 74 Cb 0.20 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2jwk s VAL 74 CO 0.48 0.21 1.07 -2.16 0.00 0.00 0.00 175.10 174.70 2jwk s PRO 75 N 0.93 3.49 0.23 2.72 0.04 -1.26 -4.85 135.00 136.30 2jwk s PRO 75 Ca 0.42 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 2jwk s PRO 75 Cb -0.19 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.52 2jwk s PRO 75 CO 0.21 -0.69 1.81 -0.92 0.04 0.00 0.00 177.00 177.45 2jwk h TYR 76 N 1.03 1.16 -0.75 0.56 3.20 -1.97 -2.22 116.97 117.99 2jwk h TYR 76 Ca -0.49 -0.08 0.11 0.00 3.14 0.00 0.00 58.73 61.42 2jwk h TYR 76 Cb 1.23 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 2jwk h TYR 76 CO 0.56 0.87 0.49 0.93 -1.64 0.00 0.00 178.16 179.38 2jwk h GLU 77 N 1.13 0.58 -0.15 1.82 5.08 -2.00 0.09 114.58 121.13 2jwk h GLU 77 Ca 0.26 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.42 2jwk h GLU 77 Cb 0.19 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jwk h GLU 77 CO -0.02 0.39 -0.60 1.49 -1.00 0.00 0.00 179.01 179.26 2jwk h GLU 78 N 0.60 0.52 -0.75 2.33 4.57 -1.79 -2.28 114.58 117.77 2jwk h GLU 78 Ca 0.35 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2jwk h GLU 78 Cb 0.56 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 2jwk h GLU 78 CO -0.13 0.96 0.34 0.28 -1.18 0.00 0.00 179.01 179.29 2jwk h VAL 79 N 0.39 1.24 -0.23 0.32 2.07 -0.69 -1.51 116.25 117.85 2jwk h VAL 79 Ca -0.00 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 2jwk h VAL 79 Cb 1.15 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2jwk h VAL 79 CO 0.11 0.29 0.13 0.40 0.02 0.00 0.00 177.57 178.53 2jwk h ILE 80 N 1.08 1.09 -0.69 4.57 1.08 -1.00 -1.71 117.51 121.93 2jwk h ILE 80 Ca 0.26 -0.23 0.11 0.00 -0.39 0.00 0.00 64.86 64.61 2jwk h ILE 80 Cb 0.14 0.84 -0.08 0.00 -3.07 0.00 0.00 36.82 34.65 2jwk h ILE 80 CO -0.03 0.09 0.29 0.11 -0.69 0.00 0.00 178.15 177.92 2jwk h LYS 81 N 0.27 0.46 -0.13 2.37 1.79 -0.87 0.45 116.57 120.92 2jwk h LYS 81 Ca 0.08 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2jwk h LYS 81 Cb 0.03 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2jwk h LYS 81 CO -0.01 0.31 0.04 0.00 -1.08 0.00 0.00 179.45 178.71 2jwk h ALA 82 N 1.47 0.14 -0.70 3.86 0.00 -0.85 0.18 119.26 123.36 2jwk h ALA 82 Ca 0.36 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2jwk h ALA 82 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2jwk h ALA 82 CO -0.33 -0.40 0.44 -0.07 0.00 0.00 0.00 179.25 178.89 2jwk h LEU 83 N 0.11 0.82 -0.66 0.00 3.38 -0.41 -1.68 115.31 116.87 2jwk h LEU 83 Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 83 Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2jwk h LEU 83 CO -0.05 0.61 0.37 -1.13 0.09 0.00 0.00 178.44 178.33 2jwk h ASN 84 N 0.96 0.81 -0.75 -0.43 -0.73 0.94 -1.83 115.58 114.54 2jwk h ASN 84 Ca 0.25 -0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.29 2jwk h ASN 84 Cb -0.07 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.28 2jwk h ASN 84 CO -0.05 0.66 0.27 -0.07 -0.37 0.00 0.00 177.43 177.86 2jwk h LEU 85 N 0.89 1.08 -0.65 0.34 3.38 0.20 -1.08 115.31 119.47 2jwk h LEU 85 Ca 0.23 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 85 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2jwk h LEU 85 CO -0.04 0.98 0.27 -0.07 0.09 0.00 0.00 178.44 179.67 2jwk h LEU 86 N 1.12 0.89 -0.67 1.67 -0.00 -1.08 -2.41 115.31 114.84 2jwk h LEU 86 Ca 0.25 -0.16 -0.05 0.00 -0.00 0.00 0.00 57.88 57.91 2jwk h LEU 86 Cb 0.26 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.66 2jwk h LEU 86 CO -0.01 0.81 0.22 -0.74 -0.00 0.00 0.00 178.44 178.72 2jwk h HIS 87 N 0.92 1.07 -0.89 1.13 2.76 -0.96 0.24 115.15 119.42 2jwk h HIS 87 Ca 0.22 -0.10 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 2jwk h HIS 87 Cb 0.19 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 28.79 2jwk h HIS 87 CO 0.01 0.86 0.59 -0.07 -1.30 0.00 0.00 177.93 178.01 2jwk h LEU 88 N 0.97 0.96 -1.53 0.26 3.38 -0.83 -1.21 115.31 117.32 2jwk h LEU 88 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jwk h LEU 88 Cb 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jwk h LEU 88 CO -0.01 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.18 2jwk n ALA 89 N -2.40 2.52 -3.39 1.53 0.00 -0.94 -4.93 120.51 112.90 2jwk n ALA 89 Ca 0.12 -0.72 -0.19 0.00 0.00 0.00 0.00 53.44 52.66 2jwk n ALA 89 Cb 0.11 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 1.04 -0.33 0.12 0.00 0.00 -0.46 -4.90 105.19 100.66 2jwk n GLY 90 Ca 0.13 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.33 1.48 -1.47 -0.61 5.41 0.80 -5.01 119.36 115.64 2jwk n ILE 91 Ca -0.10 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 62.98 2jwk n ILE 91 Cb 0.59 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72