#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 1.92 -4.05 1.61 2.88 -1.26 -4.98 113.62 109.74 2jwk n SER 20 Ca 0.00 0.38 -0.28 0.00 -1.33 0.00 0.00 58.87 57.64 2jwk n SER 20 Cb 0.00 -0.78 -0.17 0.00 -0.75 0.00 0.00 64.21 62.51 2jwk n SER 20 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jwk s VAL 21 N -2.73 1.43 1.17 2.46 1.01 -1.26 -5.13 120.40 117.35 2jwk s VAL 21 Ca -0.28 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 2jwk s VAL 21 Cb 0.05 -1.31 0.21 0.00 0.00 0.00 0.00 36.38 35.33 2jwk s VAL 21 CO 0.41 0.43 0.40 -2.65 0.00 0.00 0.00 175.10 173.69 2jwk n PRO 22 N 4.13 -2.57 -3.89 2.72 -0.02 -1.26 -4.33 135.00 129.78 2jwk n PRO 22 Ca -0.19 -0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 60.18 2jwk n PRO 22 Cb 0.51 -1.75 -0.14 0.00 -0.02 0.00 0.00 33.50 32.11 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 -2.19 3.33 -0.17 -1.45 1.01 -0.17 -3.65 120.40 117.10 2jwk s VAL 23 Ca 0.55 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2jwk s VAL 23 Cb -0.12 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2jwk s VAL 23 CO 0.55 0.27 -0.03 -0.63 0.00 0.00 0.00 175.10 175.26 2jwk s ILE 24 N 1.43 3.81 -0.19 2.22 1.09 -0.19 -2.18 121.20 127.18 2jwk s ILE 24 Ca 0.03 -0.38 -0.01 0.00 -1.10 0.00 0.00 60.65 59.19 2jwk s ILE 24 Cb -0.16 -2.68 0.00 0.00 -1.06 0.00 0.00 42.46 38.56 2jwk s ILE 24 CO -0.02 0.47 -0.13 -0.22 -0.10 0.00 0.00 174.94 174.94 2jwk s LEU 25 N 0.63 2.51 -0.20 2.97 0.20 -0.79 0.71 118.68 124.70 2jwk s LEU 25 Ca -0.02 -0.50 -0.06 0.00 0.69 0.00 0.00 54.13 54.24 2jwk s LEU 25 Cb -0.14 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 43.99 2jwk s LEU 25 CO 0.02 0.02 0.02 -0.70 -0.29 0.00 0.00 176.35 175.43 2jwk s GLU 26 N 1.21 3.71 -0.32 1.98 2.12 0.16 -1.76 118.70 125.79 2jwk s GLU 26 Ca 0.02 -0.47 -0.25 0.00 0.36 0.00 0.00 54.97 54.63 2jwk s GLU 26 Cb -0.14 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 31.12 2jwk s GLU 26 CO -0.06 0.06 0.89 0.08 -0.54 0.00 0.00 175.26 175.70 2jwk s VAL 27 N 0.90 4.67 -0.11 3.70 1.01 0.59 -1.04 120.40 130.13 2jwk s VAL 27 Ca 0.02 1.32 0.20 0.00 0.00 0.00 0.00 61.98 63.53 2jwk s VAL 27 Cb -0.14 -4.26 -0.27 0.00 0.00 0.00 0.00 36.38 31.71 2jwk s VAL 27 CO 0.02 -0.38 0.42 0.00 0.00 0.00 0.00 175.10 175.17 2jwk n ALA 28 N 6.51 2.28 -2.00 5.51 0.00 -1.00 -2.32 120.51 129.49 2jwk n ALA 28 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2jwk n ALA 28 Cb 0.48 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 1.42 0.22 3.14 0.00 0.00 -1.22 -4.81 105.19 103.94 2jwk n GLY 29 Ca -0.14 0.48 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 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 2.58 3.43 0.00 -0.61 -1.09 -1.26 -4.57 121.20 119.68 2jwk s ILE 30 Ca 0.00 -1.94 0.00 0.00 -2.23 0.00 0.00 60.65 56.48 2jwk s ILE 30 Cb 0.00 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2jwk s ILE 30 CO 0.00 -0.65 0.00 0.61 -1.23 0.00 0.00 174.94 173.67 2jwk n GLY 31 N 4.65 1.33 3.55 6.18 0.00 -1.26 -5.03 105.19 114.61 2jwk n GLY 31 Ca -0.04 0.00 -0.35 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 -0.26 3.81 0.07 1.61 3.01 -1.26 -4.00 119.74 122.70 2jwk s LYS 32 Ca 0.00 -0.43 0.01 0.00 -1.01 0.00 0.00 55.97 54.54 2jwk s LYS 32 Cb 0.00 -3.14 -0.04 0.00 -1.01 0.00 0.00 37.83 33.65 2jwk s LYS 32 CO 0.00 0.17 -0.05 0.71 0.51 0.00 0.00 175.35 176.68 2jwk s TYR 33 N 0.62 0.68 0.01 3.18 2.02 -0.89 -2.36 117.35 120.61 2jwk s TYR 33 Ca 0.01 -0.84 0.07 0.00 -0.37 0.00 0.00 57.07 55.94 2jwk s TYR 33 Cb -0.14 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 40.98 2jwk s TYR 33 CO 0.02 -0.21 -0.20 0.00 -1.57 0.00 0.00 175.55 173.59 2jwk s ALA 34 N -3.06 1.71 -0.03 3.71 0.00 -0.21 -1.74 121.76 122.14 2jwk s ALA 34 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.07 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 -0.05 0.40 -0.09 0.96 0.00 0.00 0.00 175.76 176.98 2jwk s ILE 35 N -0.61 0.83 -0.27 0.00 -4.36 0.14 0.39 121.20 117.32 2jwk s ILE 35 Ca 0.08 -0.37 -0.04 0.00 -0.26 0.00 0.00 60.65 60.06 2jwk s ILE 35 Cb -0.08 -0.75 0.02 0.00 1.25 0.00 0.00 42.46 42.90 2jwk s ILE 35 CO 0.00 0.26 0.00 -0.55 0.24 0.00 0.00 174.94 174.90 2jwk s SER 36 N 0.28 4.72 -0.30 4.36 0.15 0.22 0.01 113.70 123.14 2jwk s SER 36 Ca -0.05 -0.85 -0.02 0.00 0.70 0.00 0.00 55.95 55.73 2jwk s SER 36 Cb -0.10 -1.76 0.05 0.00 -1.71 0.00 0.00 66.02 62.50 2jwk s SER 36 CO 0.01 -0.17 0.00 -0.63 1.20 0.00 0.00 173.24 173.65 2jwk s ILE 37 N 1.39 3.03 -1.55 6.45 1.01 0.16 -1.02 121.20 130.66 2jwk s ILE 37 Ca 0.01 -1.37 -0.08 0.00 0.00 0.00 0.00 60.65 59.20 2jwk s ILE 37 Cb -0.17 -2.74 0.07 0.00 0.01 0.00 0.00 42.46 39.63 2jwk s ILE 37 CO -0.01 -0.11 0.57 0.61 0.00 0.00 0.00 174.94 176.00 2jwk n GLY 38 N 4.63 -0.32 1.20 6.18 0.00 -1.24 -0.79 105.19 114.85 2jwk n GLY 38 Ca -0.13 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 -1.76 3.00 3.68 -0.02 0.00 -1.26 -5.02 105.19 103.81 2jwk n GLY 39 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.22 4.32 -0.14 1.61 2.56 0.03 -5.05 118.70 121.81 2jwk s GLU 40 Ca 0.00 0.95 -0.05 0.00 0.00 0.00 0.00 54.97 55.87 2jwk s GLU 40 Cb 0.00 -3.54 -0.03 0.00 2.00 0.00 0.00 34.13 32.55 2jwk s GLU 40 CO 0.00 -0.23 0.02 0.50 -0.56 0.00 0.00 175.26 175.00 2jwk s ARG 41 N 1.80 3.59 -0.12 4.30 3.52 -1.26 0.38 118.95 131.15 2jwk s ARG 41 Ca 0.37 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 2jwk s ARG 41 Cb -0.17 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 2jwk s ARG 41 CO 0.14 0.41 -0.23 -0.65 -0.81 0.00 0.00 175.30 174.17 2jwk s GLN 42 N -0.06 3.05 0.21 5.12 -0.21 0.10 -4.97 119.66 122.90 2jwk s GLN 42 Ca 0.04 -0.86 0.10 0.00 0.02 0.00 0.00 55.36 54.67 2jwk s GLN 42 Cb -0.13 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 2jwk s GLN 42 CO 0.02 0.08 -0.14 -1.21 -2.12 0.00 0.00 175.29 171.91 2jwk s GLU 43 N 0.59 1.87 0.00 2.91 2.02 -1.26 -0.68 118.70 124.15 2jwk s GLU 43 Ca -0.12 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.44 2jwk s GLU 43 Cb -0.17 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2jwk s GLU 43 CO 0.03 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.12 2jwk n GLY 44 N -0.07 0.47 3.85 -1.39 0.00 -1.22 -5.02 105.19 101.80 2jwk n GLY 44 Ca -0.10 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 0.65 0.99 1.43 -0.71 -4.92 118.68 120.25 2jwk s LEU 45 Ca 0.00 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.33 2jwk s LEU 45 Cb 0.00 -3.92 0.07 0.00 0.03 0.00 0.00 46.19 42.38 2jwk s LEU 45 CO 0.00 -0.14 0.91 0.42 0.23 0.00 0.00 176.35 177.77 2jwk s THR 46 N -1.87 2.39 0.09 5.49 -4.23 -1.26 -2.09 115.64 114.17 2jwk s THR 46 Ca 0.51 -0.54 -0.17 0.00 -1.18 0.00 0.00 61.69 60.31 2jwk s THR 46 Cb -0.12 -2.85 -0.07 0.00 1.34 0.00 0.00 72.50 70.80 2jwk s THR 46 CO 0.18 0.00 1.47 -0.33 -0.54 0.00 0.00 174.62 175.41 2jwk h GLU 47 N -0.31 0.58 -0.67 3.99 5.08 -1.99 0.70 114.58 121.95 2jwk h GLU 47 Ca -0.41 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 57.66 2jwk h GLU 47 Cb 1.29 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2jwk h GLU 47 CO 0.50 0.80 0.20 1.49 -1.00 0.00 0.00 179.01 180.99 2jwk h GLU 48 N 0.34 1.04 -0.16 2.33 4.81 -1.95 -1.82 114.58 119.17 2jwk h GLU 48 Ca 0.07 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 2jwk h GLU 48 Cb 0.61 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2jwk h GLU 48 CO 0.04 0.89 -0.13 0.52 -0.73 0.00 0.00 179.01 179.60 2jwk h MET 49 N 1.00 0.37 -0.50 1.92 2.86 -1.92 -2.27 114.93 116.38 2jwk h MET 49 Ca 0.22 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2jwk h MET 49 Cb 0.30 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2jwk h MET 49 CO -0.01 0.73 0.33 -0.24 1.06 0.00 0.00 176.91 178.79 2jwk h VAL 50 N 0.02 1.06 0.04 -2.22 3.04 -0.73 -1.73 116.25 115.73 2jwk h VAL 50 Ca 0.03 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2jwk h VAL 50 Cb 0.65 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2jwk h VAL 50 CO 0.03 0.11 -0.02 0.74 -1.01 0.00 0.00 177.57 177.42 2jwk h THR 51 N 0.58 1.08 -0.35 3.17 2.02 -1.20 -0.36 112.91 117.85 2jwk h THR 51 Ca 0.20 -0.38 0.08 0.00 0.77 0.00 0.00 66.41 67.08 2jwk h THR 51 Cb 0.09 1.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 2jwk h THR 51 CO -0.05 0.10 -0.22 -0.61 0.37 0.00 0.00 175.52 175.10 2jwk h GLN 52 N -0.21 -0.17 -0.16 6.66 4.15 -0.74 0.22 115.11 124.85 2jwk h GLN 52 Ca -0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2jwk h GLN 52 Cb 0.20 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2jwk h GLN 52 CO 0.01 -0.11 0.04 -0.07 -1.93 0.00 0.00 178.83 176.76 2jwk h LEU 53 N -0.18 0.25 -0.68 -2.39 3.38 -1.33 -0.91 115.31 113.46 2jwk h LEU 53 Ca 0.17 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 53 Cb 0.45 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2jwk h LEU 53 CO -0.45 0.42 0.42 -1.28 0.09 0.00 0.00 178.44 177.64 2jwk h SER 54 N 0.07 0.69 -0.39 -0.43 0.87 -0.61 -0.92 113.55 112.82 2jwk h SER 54 Ca 0.05 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2jwk h SER 54 Cb 0.27 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2jwk h SER 54 CO 0.00 0.48 -0.03 0.03 -0.53 0.00 0.00 176.83 176.78 2jwk h ARG 55 N 0.82 0.71 -0.69 2.24 2.47 -0.50 -1.49 114.38 117.94 2jwk h ARG 55 Ca 0.27 -0.24 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 2jwk h ARG 55 Cb 0.02 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 2jwk h ARG 55 CO -0.11 0.82 0.20 0.37 0.56 0.00 0.00 179.97 181.81 2jwk h GLN 56 N 0.53 1.09 -0.30 0.04 4.15 -0.83 -0.69 115.11 119.10 2jwk h GLN 56 Ca 0.11 -0.25 -0.14 0.00 0.77 0.00 0.00 58.65 59.14 2jwk h GLN 56 Cb 0.52 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2jwk h GLN 56 CO 0.03 0.95 -0.39 1.49 -1.93 0.00 0.00 178.83 178.97 2jwk h GLU 57 N 1.03 0.70 -0.03 1.69 4.22 -1.10 -2.47 114.58 118.61 2jwk h GLU 57 Ca 0.22 -0.36 -0.12 0.00 0.08 0.00 0.00 59.36 59.18 2jwk h GLU 57 Cb 0.33 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2jwk h GLU 57 CO -0.00 0.97 -0.54 0.35 -2.18 0.00 0.00 179.01 177.61 2jwk h PHE 58 N 0.58 0.10 0.00 0.92 3.57 -1.02 -0.93 116.94 120.16 2jwk h PHE 58 Ca 0.05 -0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 2jwk h PHE 58 Cb 0.93 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2jwk h PHE 58 CO 0.05 0.61 -0.63 0.22 -2.23 0.00 0.00 178.31 176.32 2jwk h ASP 59 N 0.06 0.00 0.46 0.41 1.82 -0.99 -3.10 116.42 115.08 2jwk h ASP 59 Ca -0.00 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.33 2jwk h ASP 59 Cb 0.98 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.99 2jwk h ASP 59 CO 0.07 0.63 -1.45 0.11 -1.61 0.00 0.00 179.24 176.99 2jwk h LYS 60 N 0.00 0.31 -3.71 0.28 1.57 -1.30 -3.43 116.57 110.31 2jwk h LYS 60 Ca -0.01 -0.54 -0.55 0.00 -1.87 0.00 0.00 60.65 57.68 2jwk h LYS 60 Cb 1.29 0.20 -0.40 0.00 0.08 0.00 0.00 32.23 33.41 2jwk h LYS 60 CO 0.08 1.22 -0.77 -0.51 -0.57 0.00 0.00 179.45 178.90 2jwk s ASP 61 N -7.15 3.37 0.00 0.86 1.11 -0.37 -5.00 116.67 109.49 2jwk s ASP 61 Ca -0.08 -1.09 0.18 0.00 0.18 0.00 0.00 52.55 51.74 2jwk s ASP 61 Cb 0.06 -0.78 1.05 0.00 1.07 0.00 0.00 42.92 44.32 2jwk s ASP 61 CO 0.88 -0.32 1.68 0.59 1.18 0.00 0.00 175.17 179.18 2jwk n ASN 62 N 4.93 0.14 -0.14 0.27 5.03 -1.18 -3.41 115.26 120.90 2jwk n ASN 62 Ca -0.08 -1.46 0.07 0.00 0.87 0.00 0.00 54.58 53.99 2jwk n ASN 62 Cb 0.45 -0.01 0.10 0.00 -1.02 0.00 0.00 39.78 39.31 2jwk n ASN 62 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2jwk n ASN 63 N -0.69 1.88 -4.64 6.41 4.13 -1.26 -5.04 115.26 116.05 2jwk n ASN 63 Ca 0.14 -2.80 -0.43 0.00 1.68 0.00 0.00 54.58 53.17 2jwk n ASN 63 Cb 0.08 -0.36 -0.03 0.00 -1.54 0.00 0.00 39.78 37.94 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 -2.22 3.61 0.08 3.41 2.01 -1.22 -3.33 115.64 117.98 2jwk s THR 64 Ca 0.24 0.70 -0.31 0.00 0.31 0.00 0.00 61.69 62.63 2jwk s THR 64 Cb 0.21 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 2jwk s THR 64 CO 0.02 -0.20 1.80 -0.22 -0.69 0.00 0.00 174.62 175.32 2jwk s LEU 65 N 5.06 4.39 -0.16 4.42 2.96 -1.26 -4.85 118.68 129.24 2jwk s LEU 65 Ca 0.74 2.63 -0.02 0.00 -0.22 0.00 0.00 54.13 57.26 2jwk s LEU 65 Cb -0.28 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.83 2jwk s LEU 65 CO 0.30 -0.98 -0.07 -0.36 -1.32 0.00 0.00 176.35 173.92 2jwk s PHE 66 N 3.14 2.93 -0.00 5.38 0.08 -1.26 -1.00 117.98 127.24 2jwk s PHE 66 Ca 0.80 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 57.32 2jwk s PHE 66 Cb -0.43 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.07 2jwk s PHE 66 CO 0.36 -0.20 -0.09 -0.48 -0.10 0.00 0.00 175.22 174.71 2jwk s LEU 67 N 0.59 2.02 -0.03 -0.37 0.05 -0.93 -5.01 118.68 115.00 2jwk s LEU 67 Ca -0.05 -0.17 0.04 0.00 0.05 0.00 0.00 54.13 54.01 2jwk s LEU 67 Cb -0.15 -0.43 -0.00 0.00 -2.05 0.00 0.00 46.19 43.55 2jwk s LEU 67 CO 0.03 0.10 -0.16 0.54 -0.55 0.00 0.00 176.35 176.31 2jwk s VAL 68 N -0.23 1.29 0.02 1.48 0.11 -1.26 -1.89 120.40 119.93 2jwk s VAL 68 Ca 0.03 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2jwk s VAL 68 Cb -0.03 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 2jwk s VAL 68 CO -0.00 0.37 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.27 2jwk s GLY 69 N -0.02 0.28 0.19 6.54 0.00 -0.72 -5.00 107.32 108.58 2jwk s GLY 69 Ca -0.02 -0.50 0.10 0.00 0.00 0.00 0.00 44.72 44.30 2jwk s GLY 69 CO 0.01 -0.54 -0.20 -0.32 0.00 0.00 0.00 173.10 172.06 2jwk s GLY 70 N -1.09 1.54 0.78 0.20 0.00 -1.26 -0.30 107.32 107.19 2jwk s GLY 70 Ca -0.09 -1.59 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 2jwk s GLY 70 CO -0.00 -1.64 1.11 0.00 0.00 0.00 0.00 173.10 172.57 2jwk s ALA 71 N -2.05 2.47 0.44 3.20 0.00 -0.98 -4.92 121.76 119.92 2jwk s ALA 71 Ca 0.19 -0.36 0.12 0.00 0.00 0.00 0.00 51.96 51.92 2jwk s ALA 71 Cb -0.06 -3.05 1.01 0.00 0.00 0.00 0.00 23.12 21.02 2jwk s ALA 71 CO 0.08 -1.59 2.02 0.87 0.00 0.00 0.00 175.76 177.14 2jwk h LYS 72 N -0.99 0.40 0.00 0.00 6.56 -1.98 -0.47 116.57 120.09 2jwk h LYS 72 Ca -0.47 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 2jwk h LYS 72 Cb 1.28 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2jwk h LYS 72 CO 0.62 0.26 0.00 0.39 -2.06 0.00 0.00 179.45 178.66 2jwk n GLU 73 N -4.47 0.43 -2.87 3.15 1.02 -1.26 -4.80 120.64 111.84 2jwk n GLU 73 Ca 0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 2jwk n GLU 73 Cb 0.27 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.14 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 4.74 0.50 2.62 1.01 -0.19 -5.01 120.40 121.51 2jwk s VAL 74 Ca 0.29 1.81 -0.18 0.00 0.00 0.00 0.00 61.98 63.90 2jwk s VAL 74 Cb 0.20 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2jwk s VAL 74 CO 0.46 0.29 0.98 -2.16 0.00 0.00 0.00 175.10 174.67 2jwk s PRO 75 N 0.30 3.99 0.25 2.72 0.04 -1.26 -4.87 135.00 136.17 2jwk s PRO 75 Ca 0.43 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 2jwk s PRO 75 Cb -0.21 -2.14 0.28 0.00 0.04 0.00 0.00 34.50 32.47 2jwk s PRO 75 CO 0.25 -0.24 1.80 -0.92 0.04 0.00 0.00 177.00 177.94 2jwk h TYR 76 N 1.17 1.03 -0.84 0.56 3.20 -1.98 -2.34 116.97 117.78 2jwk h TYR 76 Ca -0.47 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.40 2jwk h TYR 76 Cb 1.19 -0.31 -0.06 0.00 1.54 0.00 0.00 36.73 39.09 2jwk h TYR 76 CO 0.63 0.82 0.55 0.93 -1.64 0.00 0.00 178.16 179.44 2jwk h GLU 77 N 0.98 0.79 -0.16 1.82 5.08 -2.00 -0.56 114.58 120.53 2jwk h GLU 77 Ca 0.22 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 2jwk h GLU 77 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2jwk h GLU 77 CO -0.01 0.53 -0.56 1.49 -1.00 0.00 0.00 179.01 179.45 2jwk h GLU 78 N 0.82 0.50 -0.72 2.33 4.57 -1.82 -2.46 114.58 117.80 2jwk h GLU 78 Ca 0.38 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2jwk h GLU 78 Cb 0.40 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2jwk h GLU 78 CO -0.15 0.92 0.33 0.28 -1.18 0.00 0.00 179.01 179.21 2jwk h VAL 79 N 0.38 1.23 -0.21 0.32 2.07 -0.80 -1.76 116.25 117.48 2jwk h VAL 79 Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2jwk h VAL 79 Cb 1.10 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2jwk h VAL 79 CO 0.10 0.28 0.14 0.40 0.02 0.00 0.00 177.57 178.51 2jwk h ILE 80 N 1.02 1.06 -0.70 4.57 1.08 -0.97 -1.70 117.51 121.85 2jwk h ILE 80 Ca 0.25 -0.10 0.10 0.00 -0.39 0.00 0.00 64.86 64.72 2jwk h ILE 80 Cb 0.12 0.75 -0.08 0.00 -3.07 0.00 0.00 36.82 34.54 2jwk h ILE 80 CO -0.03 0.05 0.32 0.50 -0.69 0.00 0.00 178.15 178.30 2jwk h LYS 81 N 0.28 0.52 -0.13 2.37 3.64 -0.95 0.26 116.57 122.55 2jwk h LYS 81 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2jwk h LYS 81 Cb -0.03 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2jwk h LYS 81 CO -0.02 0.34 0.09 0.00 -2.27 0.00 0.00 179.45 177.59 2jwk h ALA 82 N 1.45 0.17 -0.63 5.00 0.00 -0.86 0.38 119.26 124.77 2jwk h ALA 82 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2jwk h ALA 82 Cb 0.43 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jwk h ALA 82 CO -0.31 -0.34 0.40 -0.07 0.00 0.00 0.00 179.25 178.93 2jwk h LEU 83 N 0.18 0.73 -0.66 0.00 3.38 -0.54 -1.70 115.31 116.71 2jwk h LEU 83 Ca 0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jwk h LEU 83 Cb -0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2jwk h LEU 83 CO -0.01 0.55 0.34 -1.13 0.09 0.00 0.00 178.44 178.28 2jwk h ASN 84 N 0.86 0.84 -0.64 -0.43 -0.73 0.38 -2.11 115.58 113.76 2jwk h ASN 84 Ca 0.23 -0.11 -0.07 0.00 1.87 0.00 0.00 56.30 58.22 2jwk h ASN 84 Cb -0.07 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.28 2jwk h ASN 84 CO -0.05 0.71 0.15 -0.07 -0.37 0.00 0.00 177.43 177.81 2jwk h LEU 85 N 0.90 0.99 -0.60 0.34 3.38 -0.05 -1.55 115.31 118.71 2jwk h LEU 85 Ca 0.23 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 85 Cb 0.07 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2jwk h LEU 85 CO -0.03 0.96 0.17 -0.07 0.09 0.00 0.00 178.44 179.56 2jwk h LEU 86 N 0.99 0.89 -0.78 1.67 -0.00 -1.18 -2.60 115.31 114.31 2jwk h LEU 86 Ca 0.21 -0.22 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 2jwk h LEU 86 Cb 0.36 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.75 2jwk h LEU 86 CO 0.00 0.88 0.29 -0.74 -0.00 0.00 0.00 178.44 178.87 2jwk h HIS 87 N 0.87 1.21 -0.85 1.13 2.76 -1.10 -0.17 115.15 118.99 2jwk h HIS 87 Ca 0.19 -0.10 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 2jwk h HIS 87 Cb 0.31 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 28.87 2jwk h HIS 87 CO 0.02 0.92 0.56 -0.07 -1.30 0.00 0.00 177.93 178.06 2jwk h LEU 88 N 1.14 0.89 -1.40 0.26 4.07 -0.94 -1.09 115.31 118.24 2jwk h LEU 88 Ca 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.21 2jwk h LEU 88 Cb 0.24 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.78 2jwk h LEU 88 CO -0.02 0.60 0.00 0.00 -1.08 0.00 0.00 178.44 177.95 2jwk n ALA 89 N -2.41 2.44 -3.26 1.53 0.00 -1.01 -4.94 120.51 112.87 2jwk n ALA 89 Ca 0.12 -0.67 -0.16 0.00 0.00 0.00 0.00 53.44 52.72 2jwk n ALA 89 Cb 0.13 -0.97 0.07 0.00 0.00 0.00 0.00 19.45 18.67 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 1.11 -0.20 0.12 0.00 0.00 -0.41 -4.93 105.19 100.88 2jwk n GLY 90 Ca 0.13 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.04 1.52 0.83 -0.61 -0.00 -0.11 -5.02 119.36 111.94 2jwk n ILE 91 Ca -0.09 -0.67 0.10 0.00 -0.00 0.00 0.00 62.75 62.09 2jwk n ILE 91 Cb 0.58 -1.21 0.08 0.00 -0.00 0.00 0.00 39.64 39.10 2jwk n ILE 91 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84