#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 -3.11 -3.99 1.61 7.64 -1.26 -5.12 113.62 109.38 2jwk n SER 20 Ca 0.00 0.73 -0.28 0.00 1.01 0.00 0.00 58.87 60.33 2jwk n SER 20 Cb 0.00 3.01 -0.17 0.00 -1.01 0.00 0.00 64.21 66.04 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 -1.82 1.30 1.12 0.44 1.01 -1.26 -5.14 120.40 116.07 2jwk s VAL 21 Ca 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 2jwk s VAL 21 Cb 0.00 -1.24 0.18 0.00 0.00 0.00 0.00 36.38 35.33 2jwk s VAL 21 CO 0.00 0.41 0.31 -2.65 0.00 0.00 0.00 175.10 173.17 2jwk n PRO 22 N 4.51 -2.46 -3.92 2.72 -0.02 -1.26 -4.26 135.00 130.31 2jwk n PRO 22 Ca -0.17 -0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 60.24 2jwk n PRO 22 Cb 0.51 -1.64 -0.14 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 -2.14 3.23 -0.16 -1.45 1.01 -0.46 -3.60 120.40 116.82 2jwk s VAL 23 Ca 0.48 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2jwk s VAL 23 Cb -0.09 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2jwk s VAL 23 CO 0.49 0.37 -0.07 -0.63 0.00 0.00 0.00 175.10 175.26 2jwk s ILE 24 N 1.44 3.52 -0.17 2.22 1.09 -0.24 -2.19 121.20 126.87 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 38.72 2jwk s ILE 24 CO -0.04 0.49 -0.14 -0.22 -0.10 0.00 0.00 174.94 174.93 2jwk s LEU 25 N 0.59 2.51 -0.15 2.97 0.20 -0.87 0.63 118.68 124.57 2jwk s LEU 25 Ca -0.04 -0.48 -0.02 0.00 0.69 0.00 0.00 54.13 54.28 2jwk s LEU 25 Cb -0.15 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 44.01 2jwk s LEU 25 CO 0.03 0.05 -0.09 -0.70 -0.29 0.00 0.00 176.35 175.35 2jwk s GLU 26 N 1.04 3.49 -0.75 1.98 -6.30 0.17 -1.60 118.70 116.74 2jwk s GLU 26 Ca -0.01 -0.62 -0.21 0.00 -2.50 0.00 0.00 54.97 51.63 2jwk s GLU 26 Cb -0.15 -2.77 0.09 0.00 0.00 0.00 0.00 34.13 31.30 2jwk s GLU 26 CO -0.03 0.18 1.01 0.08 0.02 0.00 0.00 175.26 176.52 2jwk s VAL 27 N 0.46 4.46 -0.16 3.70 1.01 -0.11 -0.62 120.40 129.15 2jwk s VAL 27 Ca -0.07 -0.78 0.23 0.00 0.00 0.00 0.00 61.98 61.36 2jwk s VAL 27 Cb -0.15 -4.71 0.26 0.00 0.00 0.00 0.00 36.38 31.77 2jwk s VAL 27 CO 0.04 -1.47 1.68 0.00 0.00 0.00 0.00 175.10 175.35 2jwk h ALA 28 N 9.33 0.92 -3.00 5.51 0.00 -1.71 -2.67 119.26 127.64 2jwk h ALA 28 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jwk h ALA 28 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jwk h ALA 28 CO 1.16 0.21 0.00 0.41 0.00 0.00 0.00 179.25 181.04 2jwk n GLY 29 N 0.76 0.04 3.14 0.00 0.00 -1.20 -4.89 105.19 103.04 2jwk n GLY 29 Ca 0.02 0.54 -0.37 0.00 0.00 0.00 0.00 46.02 46.22 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 2.81 3.36 0.00 -0.61 -1.09 -1.26 -4.59 121.20 119.82 2jwk s ILE 30 Ca 0.00 -1.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.47 2jwk s ILE 30 Cb 0.00 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 2jwk s ILE 30 CO 0.00 -0.64 0.00 0.61 -1.23 0.00 0.00 174.94 173.68 2jwk n GLY 31 N 4.63 0.86 3.16 6.18 0.00 -1.26 -4.97 105.19 113.79 2jwk n GLY 31 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2jwk n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwk s LYS 32 N -0.13 2.49 0.19 1.61 -2.85 -1.26 -4.15 119.74 115.64 2jwk s LYS 32 Ca 0.00 -2.10 0.05 0.00 -1.00 0.00 0.00 55.97 52.93 2jwk s LYS 32 Cb 0.00 -3.82 -0.04 0.00 -2.06 0.00 0.00 37.83 31.91 2jwk s LYS 32 CO 0.00 -1.17 0.18 0.71 0.10 0.00 0.00 175.35 175.17 2jwk s TYR 33 N 0.72 3.19 0.01 1.78 2.02 -0.80 -1.95 117.35 122.32 2jwk s TYR 33 Ca 0.11 -0.03 0.07 0.00 -0.37 0.00 0.00 57.07 56.85 2jwk s TYR 33 Cb -0.22 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 2jwk s TYR 33 CO -0.03 0.52 -0.21 0.00 -1.57 0.00 0.00 175.55 174.25 2jwk s ALA 34 N -1.87 1.76 -0.03 3.71 0.00 0.21 -1.70 121.76 123.83 2jwk s ALA 34 Ca 0.32 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2jwk s ALA 34 Cb -0.09 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2jwk s ALA 34 CO 0.25 0.42 -0.08 0.96 0.00 0.00 0.00 175.76 177.30 2jwk s ILE 35 N -0.63 0.72 -0.27 0.00 -4.36 0.16 0.41 121.20 117.23 2jwk s ILE 35 Ca 0.08 -0.30 -0.05 0.00 -0.26 0.00 0.00 60.65 60.12 2jwk s ILE 35 Cb -0.08 -0.66 0.01 0.00 1.25 0.00 0.00 42.46 42.98 2jwk s ILE 35 CO 0.00 0.24 0.02 -0.44 0.24 0.00 0.00 174.94 175.00 2jwk s SER 36 N 0.37 4.78 -0.31 4.36 0.01 0.21 0.18 113.70 123.31 2jwk s SER 36 Ca -0.06 -0.76 -0.02 0.00 1.31 0.00 0.00 55.95 56.42 2jwk s SER 36 Cb -0.10 -1.79 0.05 0.00 0.21 0.00 0.00 66.02 64.39 2jwk s SER 36 CO 0.01 -0.16 0.01 -0.63 0.41 0.00 0.00 173.24 172.88 2jwk s ILE 37 N 1.43 3.01 -1.53 1.44 1.01 0.18 -1.08 121.20 125.67 2jwk s ILE 37 Ca 0.02 -1.41 -0.08 0.00 0.00 0.00 0.00 60.65 59.17 2jwk s ILE 37 Cb -0.17 -2.75 0.07 0.00 0.01 0.00 0.00 42.46 39.62 2jwk s ILE 37 CO -0.00 -0.13 0.61 0.61 0.00 0.00 0.00 174.94 176.02 2jwk n GLY 38 N 4.62 -0.33 0.98 6.18 0.00 -1.24 -1.17 105.19 114.24 2jwk n GLY 38 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.74 3.09 3.70 -0.02 0.00 -1.26 -5.03 105.19 103.93 2jwk n GLY 39 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.32 4.31 -0.12 1.61 2.02 -0.32 -5.06 118.70 120.83 2jwk s GLU 40 Ca 0.00 0.55 -0.03 0.00 0.02 0.00 0.00 54.97 55.50 2jwk s GLU 40 Cb 0.00 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 2jwk s GLU 40 CO 0.00 0.03 0.00 0.50 0.02 0.00 0.00 175.26 175.81 2jwk s ARG 41 N 1.01 3.30 -0.12 1.61 3.00 -1.26 0.51 118.95 127.00 2jwk s ARG 41 Ca 0.28 -0.42 0.03 0.00 -1.00 0.00 0.00 55.73 54.62 2jwk s ARG 41 Cb -0.16 -2.89 0.00 0.00 0.00 0.00 0.00 34.95 31.91 2jwk s ARG 41 CO 0.12 0.53 -0.22 -0.65 0.00 0.00 0.00 175.30 175.07 2jwk s GLN 42 N -0.40 3.07 0.24 5.12 -0.21 0.13 -4.96 119.66 122.64 2jwk s GLN 42 Ca 0.08 -0.85 0.11 0.00 0.02 0.00 0.00 55.36 54.71 2jwk s GLN 42 Cb -0.12 -2.40 -0.05 0.00 1.00 0.00 0.00 33.01 31.44 2jwk s GLN 42 CO 0.02 0.08 -0.14 -2.00 -2.12 0.00 0.00 175.29 171.13 2jwk s GLU 43 N 0.58 1.86 0.00 2.91 2.12 -1.26 -0.66 118.70 124.25 2jwk s GLU 43 Ca -0.12 -1.54 0.00 0.00 0.36 0.00 0.00 54.97 53.66 2jwk s GLU 43 Cb -0.17 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.27 2jwk s GLU 43 CO 0.03 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.54 2jwk n GLY 44 N -0.37 0.38 3.85 -1.50 0.00 -1.22 -5.02 105.19 101.30 2jwk n GLY 44 Ca -0.08 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 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 4.21 0.62 0.99 1.43 -0.69 -4.92 118.68 120.31 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 -3.70 0.05 0.00 0.03 0.00 0.00 46.19 42.56 2jwk s LEU 45 CO 0.00 -0.06 0.88 0.42 0.23 0.00 0.00 176.35 177.83 2jwk s THR 46 N -1.73 2.51 0.10 5.49 -4.23 -1.26 -1.91 115.64 114.61 2jwk s THR 46 Ca 0.47 -0.48 -0.17 0.00 -1.18 0.00 0.00 61.69 60.32 2jwk s THR 46 Cb -0.13 -3.01 -0.06 0.00 1.34 0.00 0.00 72.50 70.65 2jwk s THR 46 CO 0.19 -0.01 1.56 -0.33 -0.54 0.00 0.00 174.62 175.50 2jwk h GLU 47 N -0.23 0.52 -0.64 3.99 5.08 -1.99 0.16 114.58 121.47 2jwk h GLU 47 Ca -0.43 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 57.72 2jwk h GLU 47 Cb 1.30 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2jwk h GLU 47 CO 0.56 0.63 0.15 0.93 -1.00 0.00 0.00 179.01 180.27 2jwk h GLU 48 N 0.33 1.02 -0.19 2.33 5.08 -1.96 -1.98 114.58 119.21 2jwk h GLU 48 Ca 0.09 -0.24 -0.19 0.00 -1.00 0.00 0.00 59.36 58.03 2jwk h GLU 48 Cb 0.38 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2jwk h GLU 48 CO 0.01 0.91 -0.63 1.98 -1.00 0.00 0.00 179.01 180.28 2jwk h MET 49 N 0.97 0.67 -0.23 2.33 4.05 -1.91 -2.45 114.93 118.34 2jwk h MET 49 Ca 0.20 -0.47 -0.06 0.00 -0.28 0.00 0.00 59.70 59.10 2jwk h MET 49 Cb 0.36 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 2jwk h MET 49 CO 0.00 1.09 -0.12 -0.24 0.23 0.00 0.00 176.91 177.87 2jwk h VAL 50 N 0.49 1.21 0.03 -5.77 3.04 -0.50 -2.28 116.25 112.46 2jwk h VAL 50 Ca -0.01 -0.91 -0.00 0.00 -1.01 0.00 0.00 66.70 64.77 2jwk h VAL 50 Cb 1.22 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2jwk h VAL 50 CO 0.12 0.29 -0.01 0.74 -1.01 0.00 0.00 177.57 177.70 2jwk h THR 51 N 0.36 1.08 -0.36 3.17 2.02 -1.22 -0.13 112.91 117.83 2jwk h THR 51 Ca 0.07 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 66.99 2jwk h THR 51 Cb 0.43 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.07 2jwk h THR 51 CO 0.02 0.09 -0.23 -0.61 0.37 0.00 0.00 175.52 175.17 2jwk h GLN 52 N -0.18 -0.17 -0.18 6.66 4.15 -1.06 0.22 115.11 124.55 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 0.17 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2jwk h GLN 52 CO 0.01 -0.11 0.03 -0.07 -1.93 0.00 0.00 178.83 176.75 2jwk h LEU 53 N -0.17 0.29 -0.72 -2.39 3.38 -1.36 -1.07 115.31 113.27 2jwk h LEU 53 Ca 0.18 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2jwk h LEU 53 Cb 0.45 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2jwk h LEU 53 CO -0.47 0.47 0.45 0.28 0.09 0.00 0.00 178.44 179.27 2jwk h SER 54 N 0.09 0.74 -0.36 -0.43 0.02 -0.56 -0.83 113.55 112.22 2jwk h SER 54 Ca 0.05 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2jwk h SER 54 Cb 0.31 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2jwk h SER 54 CO 0.00 0.52 0.02 0.03 -1.14 0.00 0.00 176.83 176.25 2jwk h ARG 55 N 0.88 0.62 -0.67 3.45 2.47 -0.51 -1.24 114.38 119.39 2jwk h ARG 55 Ca 0.29 -0.19 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 2jwk h ARG 55 Cb 0.01 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 2jwk h ARG 55 CO -0.11 0.72 0.26 0.37 0.56 0.00 0.00 179.97 181.77 2jwk h GLN 56 N 0.44 1.01 -0.36 0.04 4.15 -0.84 -0.19 115.11 119.36 2jwk h GLN 56 Ca 0.10 -0.19 -0.15 0.00 0.77 0.00 0.00 58.65 59.18 2jwk h GLN 56 Cb 0.43 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2jwk h GLN 56 CO 0.02 0.85 -0.38 0.93 -1.93 0.00 0.00 178.83 178.32 2jwk h GLU 57 N 0.95 0.86 0.00 1.69 4.39 -1.09 -2.50 114.58 118.88 2jwk h GLU 57 Ca 0.22 -0.44 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 2jwk h GLU 57 Cb 0.22 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2jwk h GLU 57 CO -0.02 1.08 -0.48 0.35 -1.16 0.00 0.00 179.01 178.78 2jwk h PHE 58 N 0.71 0.00 0.00 4.33 3.57 -1.00 -0.90 116.94 123.64 2jwk h PHE 58 Ca 0.06 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 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 0.06 0.48 -0.65 -0.44 -2.23 0.00 0.00 178.31 175.53 2jwk h ASP 59 N 0.00 0.00 0.46 0.41 3.32 -0.89 -3.16 116.42 116.56 2jwk h ASP 59 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.74 2jwk h ASP 59 Cb 0.87 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 2jwk h ASP 59 CO 0.06 0.65 -1.49 0.11 -1.72 0.00 0.00 179.24 176.86 2jwk h LYS 60 N 0.00 0.27 -3.89 3.56 1.57 -1.27 -3.43 116.57 113.39 2jwk h LYS 60 Ca -0.01 -0.46 -0.58 0.00 -1.87 0.00 0.00 60.65 57.73 2jwk h LYS 60 Cb 1.35 0.17 -0.39 0.00 0.08 0.00 0.00 32.23 33.44 2jwk h LYS 60 CO 0.08 1.15 -0.76 -0.51 -0.57 0.00 0.00 179.45 178.84 2jwk s ASP 61 N -7.04 3.78 0.26 0.86 1.01 -0.36 -4.99 116.67 110.18 2jwk s ASP 61 Ca -0.08 -1.36 0.26 0.00 0.71 0.00 0.00 52.55 52.07 2jwk s ASP 61 Cb 0.07 -0.96 0.79 0.00 1.01 0.00 0.00 42.92 43.83 2jwk s ASP 61 CO 0.86 -0.33 1.75 0.78 0.21 0.00 0.00 175.17 178.44 2jwk h ASN 62 N 8.04 0.00 -0.44 0.27 4.21 -1.82 -3.21 115.58 122.63 2jwk h ASN 62 Ca -0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.36 2jwk h ASN 62 Cb 1.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 2jwk h ASN 62 CO 0.43 0.00 0.00 -3.20 -1.29 0.00 0.00 177.43 173.37 2jwk n ASN 63 N -2.40 4.77 -4.64 5.81 5.15 -1.26 -4.98 115.26 117.72 2jwk n ASN 63 Ca 0.05 -2.89 -0.43 0.00 -0.60 0.00 0.00 54.58 50.71 2jwk n ASN 63 Cb 0.41 -0.60 -0.03 0.00 -0.53 0.00 0.00 39.78 39.03 2jwk n ASN 63 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2jwk s THR 64 N -2.64 3.66 0.08 -0.44 2.01 -1.21 -4.85 115.64 112.26 2jwk s THR 64 Ca 0.48 0.76 -0.31 0.00 0.31 0.00 0.00 61.69 62.93 2jwk s THR 64 Cb 0.37 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 2jwk s THR 64 CO 0.14 -0.22 1.69 -0.22 -0.69 0.00 0.00 174.62 175.32 2jwk s LEU 65 N 4.97 4.37 -0.14 4.42 2.96 -1.26 -4.87 118.68 129.13 2jwk s LEU 65 Ca 0.72 2.55 -0.02 0.00 -0.22 0.00 0.00 54.13 57.16 2jwk s LEU 65 Cb -0.27 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.83 2jwk s LEU 65 CO 0.29 -0.91 -0.09 -0.36 -1.32 0.00 0.00 176.35 173.97 2jwk s PHE 66 N 2.61 2.92 -0.00 5.38 0.08 -1.26 -1.36 117.98 126.34 2jwk s PHE 66 Ca 0.75 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 57.35 2jwk s PHE 66 Cb -0.41 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.14 2jwk s PHE 66 CO 0.33 -0.12 -0.06 -0.48 -0.10 0.00 0.00 175.22 174.79 2jwk s LEU 67 N 0.34 2.01 -0.02 -0.37 0.05 -0.93 -5.00 118.68 114.76 2jwk s LEU 67 Ca -0.08 -0.11 0.05 0.00 0.05 0.00 0.00 54.13 54.05 2jwk s LEU 67 Cb -0.15 -0.30 -0.01 0.00 -2.05 0.00 0.00 46.19 43.68 2jwk s LEU 67 CO 0.04 0.07 -0.17 0.54 -0.55 0.00 0.00 176.35 176.28 2jwk s VAL 68 N -0.13 1.36 0.01 1.48 0.11 -1.26 -2.04 120.40 119.93 2jwk s VAL 68 Ca 0.02 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.37 2jwk s VAL 68 Cb -0.02 -1.15 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2jwk s VAL 68 CO -0.00 0.39 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.27 2jwk s GLY 69 N -0.27 0.30 0.19 6.54 0.00 -0.63 -4.99 107.32 108.46 2jwk s GLY 69 Ca 0.04 -0.36 0.11 0.00 0.00 0.00 0.00 44.72 44.50 2jwk s GLY 69 CO 0.00 -0.35 -0.20 -0.32 0.00 0.00 0.00 173.10 172.23 2jwk s GLY 70 N -0.52 1.71 0.67 0.20 0.00 -1.26 -0.93 107.32 107.18 2jwk s GLY 70 Ca -0.02 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.01 2jwk s GLY 70 CO -0.00 -1.61 1.06 0.00 0.00 0.00 0.00 173.10 172.55 2jwk s ALA 71 N -1.64 3.00 0.48 3.20 0.00 -1.01 -4.94 121.76 120.86 2jwk s ALA 71 Ca 0.21 -0.29 0.14 0.00 0.00 0.00 0.00 51.96 52.02 2jwk s ALA 71 Cb -0.08 -3.00 1.14 0.00 0.00 0.00 0.00 23.12 21.18 2jwk s ALA 71 CO 0.11 -0.96 2.10 0.87 0.00 0.00 0.00 175.76 177.89 2jwk h LYS 72 N -0.50 0.18 -0.00 0.00 6.56 -1.97 -1.34 116.57 119.51 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 1.23 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2jwk h LYS 72 CO 0.63 0.12 -0.04 -1.91 -2.06 0.00 0.00 179.45 176.19 2jwk n GLU 73 N -4.51 0.31 -3.22 3.15 2.13 -1.26 -4.79 120.64 112.46 2jwk n GLU 73 Ca 0.00 -0.03 -0.39 0.00 0.66 0.00 0.00 57.16 57.41 2jwk n GLU 73 Cb 0.13 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.29 2jwk n GLU 73 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jwk s VAL 74 N -2.71 5.07 0.64 6.31 1.01 -0.51 -5.03 120.40 125.18 2jwk s VAL 74 Ca 0.23 1.16 -0.14 0.00 0.00 0.00 0.00 61.98 63.23 2jwk s VAL 74 Cb 0.20 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2jwk s VAL 74 CO 0.50 0.34 1.08 -2.16 0.00 0.00 0.00 175.10 174.86 2jwk s PRO 75 N 0.37 2.99 0.32 2.72 0.04 -1.26 -4.83 135.00 135.35 2jwk s PRO 75 Ca 0.30 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.60 2jwk s PRO 75 Cb -0.17 -1.99 0.53 0.00 0.04 0.00 0.00 34.50 32.92 2jwk s PRO 75 CO 0.14 -1.08 1.86 -0.92 0.04 0.00 0.00 177.00 177.05 2jwk h TYR 76 N 0.02 0.67 -0.80 0.56 3.20 -1.97 -2.17 116.97 116.47 2jwk h TYR 76 Ca -0.46 -0.06 0.09 0.00 3.14 0.00 0.00 58.73 61.43 2jwk h TYR 76 Cb 1.23 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 2jwk h TYR 76 CO 0.57 0.60 0.52 0.93 -1.64 0.00 0.00 178.16 179.15 2jwk h GLU 77 N 0.62 0.77 -0.25 1.82 4.39 -2.00 -0.72 114.58 119.22 2jwk h GLU 77 Ca 0.14 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.65 2jwk h GLU 77 Cb 0.30 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2jwk h GLU 77 CO 0.00 0.51 -0.44 0.93 -1.16 0.00 0.00 179.01 178.85 2jwk h GLU 78 N 0.79 0.62 -0.82 2.33 3.07 -1.77 -2.28 114.58 116.53 2jwk h GLU 78 Ca 0.36 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 2jwk h GLU 78 Cb 0.37 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 2jwk h GLU 78 CO -0.14 0.94 0.41 0.28 -1.40 0.00 0.00 179.01 179.10 2jwk h VAL 79 N 0.50 1.25 -0.33 3.13 2.07 -0.98 -1.53 116.25 120.36 2jwk h VAL 79 Ca 0.03 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2jwk h VAL 79 Cb 0.97 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2jwk h VAL 79 CO 0.09 0.29 0.21 0.40 0.02 0.00 0.00 177.57 178.58 2jwk h ILE 80 N 1.15 1.11 -0.63 4.57 1.08 -1.00 -1.82 117.51 121.97 2jwk h ILE 80 Ca 0.28 -0.23 0.09 0.00 -0.39 0.00 0.00 64.86 64.61 2jwk h ILE 80 Cb 0.09 0.66 -0.07 0.00 -3.07 0.00 0.00 36.82 34.43 2jwk h ILE 80 CO -0.04 0.10 0.28 0.11 -0.69 0.00 0.00 178.15 177.91 2jwk h LYS 81 N 0.44 0.48 -0.21 2.37 1.79 -0.83 0.21 116.57 120.82 2jwk h LYS 81 Ca 0.12 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2jwk h LYS 81 Cb -0.01 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 2jwk h LYS 81 CO -0.02 0.32 0.12 0.00 -1.08 0.00 0.00 179.45 178.78 2jwk h ALA 82 N 1.40 0.25 -0.69 3.86 0.00 -0.86 -0.15 119.26 123.08 2jwk h ALA 82 Ca 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jwk h ALA 82 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2jwk h ALA 82 CO -0.27 -0.29 0.42 -0.07 0.00 0.00 0.00 179.25 179.03 2jwk h LEU 83 N 0.24 0.82 -0.76 0.00 3.38 -0.64 -1.76 115.31 116.59 2jwk h LEU 83 Ca 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jwk h LEU 83 Cb 0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2jwk h LEU 83 CO -0.04 0.63 0.43 -1.13 0.09 0.00 0.00 178.44 178.42 2jwk h ASN 84 N 0.95 0.94 -0.57 -0.43 -0.73 0.30 -1.66 115.58 114.37 2jwk h ASN 84 Ca 0.25 -0.08 -0.09 0.00 1.87 0.00 0.00 56.30 58.25 2jwk h ASN 84 Cb -0.04 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.29 2jwk h ASN 84 CO -0.05 0.75 0.02 -0.07 -0.37 0.00 0.00 177.43 177.72 2jwk h LEU 85 N 1.05 0.99 -0.56 0.34 3.38 -0.20 -1.36 115.31 118.94 2jwk h LEU 85 Ca 0.27 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 85 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2jwk h LEU 85 CO -0.05 1.03 0.20 -0.07 0.09 0.00 0.00 178.44 179.64 2jwk h LEU 86 N 0.94 0.79 -0.59 1.67 -0.00 -1.08 -2.25 115.31 114.79 2jwk h LEU 86 Ca 0.17 -0.18 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2jwk h LEU 86 Cb 0.51 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.94 2jwk h LEU 86 CO 0.02 0.76 0.28 -0.74 -0.00 0.00 0.00 178.44 178.76 2jwk h HIS 87 N 0.77 0.85 -0.77 1.13 2.76 -1.07 0.13 115.15 118.94 2jwk h HIS 87 Ca 0.18 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2jwk h HIS 87 Cb 0.23 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 2jwk h HIS 87 CO 0.01 0.65 0.51 -0.07 -1.30 0.00 0.00 177.93 177.74 2jwk h LEU 88 N 0.80 0.87 -1.49 0.26 3.38 -0.96 -1.44 115.31 116.73 2jwk h LEU 88 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2jwk h LEU 88 Cb 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jwk h LEU 88 CO -0.02 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.13 2jwk n ALA 89 N -2.42 2.48 -3.48 1.53 0.00 -0.87 -4.93 120.51 112.81 2jwk n ALA 89 Ca 0.09 -0.71 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 2jwk n ALA 89 Cb 0.05 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 18.61 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 1.09 -0.42 0.10 0.00 0.00 -0.54 -4.93 105.19 100.49 2jwk n GLY 90 Ca 0.13 0.16 -0.12 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 -4.53 1.32 -1.53 -0.61 5.41 0.39 -5.02 119.36 114.78 2jwk n ILE 91 Ca -0.11 -0.69 0.00 0.00 1.00 0.00 0.00 62.75 62.95 2jwk n ILE 91 Cb 0.60 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72