#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 -2.45 -3.86 1.61 2.88 -1.26 -5.13 113.62 105.41 2jwk n SER 20 Ca 0.00 0.64 -0.19 0.00 -1.33 0.00 0.00 58.87 57.99 2jwk n SER 20 Cb 0.00 2.39 -0.16 0.00 -0.75 0.00 0.00 64.21 65.69 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 -2.00 0.43 1.24 2.46 1.01 -1.26 -5.12 120.40 117.15 2jwk s VAL 21 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 2jwk s VAL 21 Cb 0.00 -0.48 0.27 0.00 0.00 0.00 0.00 36.38 36.16 2jwk s VAL 21 CO 0.00 0.21 0.59 -2.65 0.00 0.00 0.00 175.10 173.25 2jwk n PRO 22 N 4.14 -3.26 -3.92 2.72 -0.02 -1.26 -4.33 135.00 129.07 2jwk n PRO 22 Ca -0.24 -0.96 -0.35 0.00 -2.02 0.00 0.00 63.50 59.93 2jwk n PRO 22 Cb 0.51 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 32.07 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 -2.16 3.58 -0.14 -1.45 1.01 0.01 -3.61 120.40 117.64 2jwk s VAL 23 Ca 0.56 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 2jwk s VAL 23 Cb -0.12 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2jwk s VAL 23 CO 0.51 0.41 -0.13 -0.63 0.00 0.00 0.00 175.10 175.27 2jwk s ILE 24 N 1.43 3.01 -0.18 2.22 1.09 -0.16 -2.20 121.20 126.40 2jwk s ILE 24 Ca 0.05 -0.67 -0.01 0.00 -1.10 0.00 0.00 60.65 58.92 2jwk s ILE 24 Cb -0.14 -2.27 0.00 0.00 -1.06 0.00 0.00 42.46 38.99 2jwk s ILE 24 CO -0.01 0.52 -0.13 -0.22 -0.10 0.00 0.00 174.94 175.00 2jwk s LEU 25 N 0.46 2.53 -0.15 2.97 0.20 -0.67 0.62 118.68 124.64 2jwk s LEU 25 Ca -0.10 -0.48 -0.02 0.00 0.69 0.00 0.00 54.13 54.22 2jwk s LEU 25 Cb -0.16 -1.60 -0.02 0.00 -0.43 0.00 0.00 46.19 43.98 2jwk s LEU 25 CO 0.05 0.03 -0.09 -1.61 -0.29 0.00 0.00 176.35 174.44 2jwk s GLU 26 N 1.13 3.46 -0.26 1.98 2.02 0.23 -1.93 118.70 125.33 2jwk s GLU 26 Ca 0.01 -0.63 -0.24 0.00 0.02 0.00 0.00 54.97 54.12 2jwk s GLU 26 Cb -0.14 -2.77 -0.00 0.00 0.10 0.00 0.00 34.13 31.31 2jwk s GLU 26 CO -0.04 0.15 0.83 0.08 0.02 0.00 0.00 175.26 176.30 2jwk s VAL 27 N 0.54 4.81 -0.08 2.63 1.01 -0.15 -0.44 120.40 128.72 2jwk s VAL 27 Ca -0.06 1.48 0.21 0.00 0.00 0.00 0.00 61.98 63.61 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 0.03 -0.13 0.44 0.00 0.00 0.00 0.00 175.10 175.44 2jwk n ALA 28 N 6.10 2.51 -2.00 5.51 0.00 -0.91 -2.44 120.51 129.28 2jwk n ALA 28 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2jwk n ALA 28 Cb 0.48 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 1.36 -0.26 3.13 0.00 0.00 -1.21 -4.79 105.19 103.41 2jwk n GLY 29 Ca -0.10 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.15 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 2.96 3.33 0.00 -0.61 -1.09 -1.26 -4.59 121.20 119.94 2jwk s ILE 30 Ca 0.00 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.42 2jwk s ILE 30 Cb 0.00 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 2jwk s ILE 30 CO 0.00 -0.66 0.00 0.61 -1.23 0.00 0.00 174.94 173.66 2jwk n GLY 31 N 4.61 1.44 3.59 6.18 0.00 -1.26 -5.02 105.19 114.73 2jwk n GLY 31 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.11 3.75 0.07 1.61 1.02 -1.26 -4.31 119.74 120.51 2jwk s LYS 32 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.58 2jwk s LYS 32 Cb 0.00 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 2jwk s LYS 32 CO 0.00 0.31 -0.06 0.71 -0.92 0.00 0.00 175.35 175.40 2jwk s TYR 33 N 0.21 0.69 0.01 3.18 2.02 -0.84 -2.14 117.35 120.48 2jwk s TYR 33 Ca 0.01 -0.80 0.06 0.00 -0.37 0.00 0.00 57.07 55.97 2jwk s TYR 33 Cb -0.13 -0.43 -0.02 0.00 -0.40 0.00 0.00 41.96 40.99 2jwk s TYR 33 CO 0.02 -0.18 -0.18 0.00 -1.57 0.00 0.00 175.55 173.63 2jwk s ALA 34 N -2.88 1.53 -0.03 3.71 0.00 0.41 -1.61 121.76 122.90 2jwk s ALA 34 Ca 0.02 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2jwk s ALA 34 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2jwk s ALA 34 CO -0.04 0.35 -0.10 0.96 0.00 0.00 0.00 175.76 176.94 2jwk s ILE 35 N -0.60 0.84 -0.28 0.00 -4.36 0.21 0.74 121.20 117.76 2jwk s ILE 35 Ca 0.06 -0.38 -0.04 0.00 -0.26 0.00 0.00 60.65 60.03 2jwk s ILE 35 Cb -0.08 -0.76 0.02 0.00 1.25 0.00 0.00 42.46 42.90 2jwk s ILE 35 CO 0.00 0.27 0.02 -0.55 0.24 0.00 0.00 174.94 174.92 2jwk s SER 36 N 0.27 4.80 -0.31 4.36 0.15 0.20 -0.23 113.70 122.93 2jwk s SER 36 Ca -0.05 -0.89 -0.03 0.00 0.70 0.00 0.00 55.95 55.69 2jwk s SER 36 Cb -0.10 -1.77 0.05 0.00 -1.71 0.00 0.00 66.02 62.49 2jwk s SER 36 CO 0.01 -0.19 0.03 -0.63 1.20 0.00 0.00 173.24 173.66 2jwk s ILE 37 N 1.39 3.23 -1.52 6.45 1.01 0.15 -0.99 121.20 130.92 2jwk s ILE 37 Ca 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 60.65 59.34 2jwk s ILE 37 Cb -0.17 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.47 2jwk s ILE 37 CO -0.01 -0.12 0.18 0.61 0.00 0.00 0.00 174.94 175.60 2jwk n GLY 38 N 4.68 -0.17 0.98 6.18 0.00 -1.24 -0.34 105.19 115.28 2jwk n GLY 38 Ca -0.13 0.16 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 -2.30 2.68 3.65 -0.02 0.00 -1.26 -5.01 105.19 102.93 2jwk n GLY 39 Ca -0.30 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 4.13 -0.19 1.61 8.01 0.54 -5.00 118.70 127.81 2jwk s GLU 40 Ca 0.00 1.91 -0.06 0.00 0.01 0.00 0.00 54.97 56.82 2jwk s GLU 40 Cb 0.00 -3.92 -0.04 0.00 -4.31 0.00 0.00 34.13 25.87 2jwk s GLU 40 CO 0.00 -0.87 0.04 0.50 0.01 0.00 0.00 175.26 174.94 2jwk s ARG 41 N 3.95 3.85 -0.14 1.61 3.00 -1.26 0.34 118.95 130.30 2jwk s ARG 41 Ca 0.66 -0.41 0.02 0.00 -1.00 0.00 0.00 55.73 55.00 2jwk s ARG 41 Cb -0.28 -3.16 0.00 0.00 0.00 0.00 0.00 34.95 31.52 2jwk s ARG 41 CO 0.24 0.19 -0.19 -0.65 0.00 0.00 0.00 175.30 174.90 2jwk s GLN 42 N 0.56 3.15 0.23 5.12 -0.21 0.68 -4.97 119.66 124.22 2jwk s GLN 42 Ca 0.02 -0.80 0.11 0.00 0.02 0.00 0.00 55.36 54.71 2jwk s GLN 42 Cb -0.13 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.32 2jwk s GLN 42 CO 0.02 0.06 -0.16 -1.21 -2.12 0.00 0.00 175.29 171.87 2jwk s GLU 43 N 0.68 1.80 0.00 2.91 0.41 -1.26 -0.61 118.70 122.63 2jwk s GLU 43 Ca -0.09 -1.55 0.00 0.00 -0.41 0.00 0.00 54.97 52.92 2jwk s GLU 43 Cb -0.16 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.27 2jwk s GLU 43 CO 0.02 0.38 0.00 0.41 -0.49 0.00 0.00 175.26 175.57 2jwk n GLY 44 N -0.28 0.40 3.85 -1.39 0.00 -1.20 -5.02 105.19 101.57 2jwk n GLY 44 Ca -0.09 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 4.09 0.61 0.99 1.43 -0.63 -4.90 118.68 120.27 2jwk s LEU 45 Ca 0.00 1.20 -0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2jwk s LEU 45 Cb 0.00 -3.99 0.06 0.00 0.03 0.00 0.00 46.19 42.29 2jwk s LEU 45 CO 0.00 -0.17 0.86 0.42 0.23 0.00 0.00 176.35 177.69 2jwk s THR 46 N -1.94 2.49 0.12 5.49 -4.23 -1.26 -1.99 115.64 114.31 2jwk s THR 46 Ca 0.53 -0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 60.30 2jwk s THR 46 Cb -0.10 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 2jwk s THR 46 CO 0.18 0.00 1.51 1.05 -0.54 0.00 0.00 174.62 176.83 2jwk h GLU 47 N -0.17 0.73 -0.63 3.99 4.11 -1.99 0.50 114.58 121.12 2jwk h GLU 47 Ca -0.41 -0.29 -0.08 0.00 0.07 0.00 0.00 59.36 58.65 2jwk h GLU 47 Cb 1.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2jwk h GLU 47 CO 0.51 0.89 0.09 0.93 0.07 0.00 0.00 179.01 181.50 2jwk h GLU 48 N 0.53 1.04 -0.16 1.06 4.39 -1.97 -1.96 114.58 117.51 2jwk h GLU 48 Ca 0.09 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 2jwk h GLU 48 Cb 0.64 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2jwk h GLU 48 CO 0.04 0.96 -0.16 0.52 -1.16 0.00 0.00 179.01 179.22 2jwk h MET 49 N 0.98 0.39 -0.57 2.33 2.86 -1.93 -2.32 114.93 116.67 2jwk h MET 49 Ca 0.19 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2jwk h MET 49 Cb 0.44 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2jwk h MET 49 CO 0.01 0.76 0.38 -0.24 1.06 0.00 0.00 176.91 178.88 2jwk h VAL 50 N 0.03 1.04 0.02 -2.22 3.04 -0.81 -1.67 116.25 115.68 2jwk h VAL 50 Ca 0.03 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2jwk h VAL 50 Cb 0.69 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 2jwk h VAL 50 CO 0.04 0.11 -0.01 0.74 -1.01 0.00 0.00 177.57 177.44 2jwk h THR 51 N 0.61 1.09 -0.34 3.17 2.02 -1.22 -0.47 112.91 117.77 2jwk h THR 51 Ca 0.23 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 67.15 2jwk h THR 51 Cb 0.16 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 2jwk h THR 51 CO -0.06 0.09 -0.24 -0.61 0.37 0.00 0.00 175.52 175.07 2jwk h GLN 52 N -0.17 -0.19 -0.15 6.66 4.15 -0.75 0.51 115.11 125.17 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 0.16 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2jwk h GLN 52 CO 0.00 -0.12 0.03 -0.07 -1.93 0.00 0.00 178.83 176.74 2jwk h LEU 53 N -0.19 0.23 -0.75 -2.39 3.38 -1.36 -0.59 115.31 113.65 2jwk h LEU 53 Ca 0.17 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jwk h LEU 53 Cb 0.46 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2jwk h LEU 53 CO -0.46 0.42 0.49 0.28 0.09 0.00 0.00 178.44 179.26 2jwk h SER 54 N 0.04 0.83 -0.32 -0.43 0.02 -0.62 -1.12 113.55 111.94 2jwk h SER 54 Ca 0.05 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2jwk h SER 54 Cb 0.28 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2jwk h SER 54 CO 0.00 0.59 0.00 0.03 -1.14 0.00 0.00 176.83 176.31 2jwk h ARG 55 N 0.98 0.57 -0.70 3.45 2.47 0.10 -1.06 114.38 120.19 2jwk h ARG 55 Ca 0.28 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 2jwk h ARG 55 Cb -0.07 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.17 2jwk h ARG 55 CO -0.08 0.70 0.29 0.37 0.56 0.00 0.00 179.97 181.81 2jwk h GLN 56 N 0.37 1.05 -0.40 0.04 4.15 -0.83 0.13 115.11 119.61 2jwk h GLN 56 Ca 0.09 -0.19 -0.15 0.00 0.77 0.00 0.00 58.65 59.17 2jwk h GLN 56 Cb 0.44 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2jwk h GLN 56 CO 0.02 0.86 -0.36 1.49 -1.93 0.00 0.00 178.83 178.91 2jwk h GLU 57 N 1.00 0.94 0.00 1.69 4.81 -1.14 -2.26 114.58 119.62 2jwk h GLU 57 Ca 0.24 -0.48 -0.10 0.00 -0.13 0.00 0.00 59.36 58.89 2jwk h GLU 57 Cb 0.20 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2jwk h GLU 57 CO -0.02 1.14 -0.49 0.35 -0.73 0.00 0.00 179.01 179.26 2jwk h PHE 58 N 0.78 0.00 0.00 0.92 3.57 -0.95 -0.68 116.94 120.58 2jwk h PHE 58 Ca 0.07 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 2jwk h PHE 58 Cb 0.95 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2jwk h PHE 58 CO 0.06 0.49 -0.79 0.22 -2.23 0.00 0.00 178.31 176.06 2jwk h ASP 59 N 0.00 0.00 0.47 0.41 3.58 -0.84 -3.16 116.42 116.88 2jwk h ASP 59 Ca -0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.14 2jwk h ASP 59 Cb 0.87 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 2jwk h ASP 59 CO 0.06 0.79 -1.49 0.11 -2.88 0.00 0.00 179.24 175.83 2jwk h LYS 60 N 0.00 0.26 -3.87 0.28 1.57 -1.28 -3.43 116.57 110.10 2jwk h LYS 60 Ca -0.01 -0.45 -0.58 0.00 -1.87 0.00 0.00 60.65 57.75 2jwk h LYS 60 Cb 1.54 0.17 -0.39 0.00 0.08 0.00 0.00 32.23 33.62 2jwk h LYS 60 CO 0.10 1.14 -0.77 0.34 -0.57 0.00 0.00 179.45 179.69 2jwk s ASP 61 N -7.02 3.68 0.00 0.86 -1.08 -0.27 -5.00 116.67 107.84 2jwk s ASP 61 Ca -0.08 -1.27 0.13 0.00 -0.52 0.00 0.00 52.55 50.80 2jwk s ASP 61 Cb 0.07 -0.93 0.72 0.00 -1.46 0.00 0.00 42.92 41.32 2jwk s ASP 61 CO 0.86 -0.32 1.47 0.59 0.52 0.00 0.00 175.17 178.28 2jwk n ASN 62 N 4.82 0.13 -0.15 -0.34 4.13 -1.19 -3.44 115.26 119.21 2jwk n ASN 62 Ca -0.07 -1.63 0.06 0.00 1.68 0.00 0.00 54.58 54.61 2jwk n ASN 62 Cb 0.44 -0.01 0.08 0.00 -1.54 0.00 0.00 39.78 38.75 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 -0.61 1.65 -4.63 6.41 3.02 -1.26 -5.04 115.26 114.80 2jwk n ASN 63 Ca 0.10 -2.57 -0.43 0.00 -0.03 0.00 0.00 54.58 51.65 2jwk n ASN 63 Cb 0.06 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.81 3.50 0.07 3.41 2.01 -1.22 -4.93 115.64 116.67 2jwk s THR 64 Ca 0.18 0.56 -0.31 0.00 0.31 0.00 0.00 61.69 62.44 2jwk s THR 64 Cb 0.16 -3.52 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 2jwk s THR 64 CO 0.02 -0.23 1.90 -0.11 -0.69 0.00 0.00 174.62 175.51 2jwk n LEU 65 N 8.90 4.06 -4.44 4.42 7.94 -1.26 -4.84 117.00 131.78 2jwk n LEU 65 Ca 0.21 0.95 -0.33 0.00 -1.11 0.00 0.00 56.01 55.73 2jwk n LEU 65 Cb 0.45 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.74 2jwk n LEU 65 CO 0.65 0.17 -0.43 -0.36 -1.11 0.00 0.00 177.39 176.31 2jwk s PHE 66 N 3.56 2.80 0.00 1.96 0.08 -1.26 -0.81 117.98 124.31 2jwk s PHE 66 Ca 0.86 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.53 2jwk s PHE 66 Cb -0.48 -1.77 -0.00 0.00 -0.57 0.00 0.00 43.02 40.20 2jwk s PHE 66 CO 0.40 -0.01 -0.03 -0.48 -0.10 0.00 0.00 175.22 175.01 2jwk s LEU 67 N -0.13 2.04 -0.10 -0.37 0.05 -0.94 -5.01 118.68 114.22 2jwk s LEU 67 Ca -0.00 -0.11 0.03 0.00 0.05 0.00 0.00 54.13 54.09 2jwk s LEU 67 Cb -0.13 -0.11 0.01 0.00 -2.05 0.00 0.00 46.19 43.90 2jwk s LEU 67 CO 0.03 -0.01 -0.19 -0.69 -0.55 0.00 0.00 176.35 174.94 2jwk s VAL 68 N -0.24 1.74 0.03 1.48 1.01 -1.26 -1.67 120.40 121.49 2jwk s VAL 68 Ca -0.01 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2jwk s VAL 68 Cb -0.02 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2jwk s VAL 68 CO -0.00 0.49 -0.07 -0.83 0.00 0.00 0.00 175.10 174.69 2jwk s GLY 69 N 0.68 0.42 0.18 4.51 0.00 -0.81 -5.02 107.32 107.28 2jwk s GLY 69 Ca -0.12 -0.59 0.10 0.00 0.00 0.00 0.00 44.72 44.11 2jwk s GLY 69 CO 0.03 -0.61 -0.21 -0.32 0.00 0.00 0.00 173.10 171.99 2jwk s GLY 70 N -1.11 1.56 0.73 0.20 0.00 -1.26 -0.98 107.32 106.46 2jwk s GLY 70 Ca -0.06 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 42.96 2jwk s GLY 70 CO 0.00 -1.62 1.10 0.00 0.00 0.00 0.00 173.10 172.58 2jwk s ALA 71 N -1.90 2.71 0.44 3.20 0.00 -1.02 -4.93 121.76 120.27 2jwk s ALA 71 Ca 0.19 -0.30 0.14 0.00 0.00 0.00 0.00 51.96 51.99 2jwk s ALA 71 Cb -0.07 -3.05 1.05 0.00 0.00 0.00 0.00 23.12 21.05 2jwk s ALA 71 CO 0.08 -1.30 2.00 0.87 0.00 0.00 0.00 175.76 177.41 2jwk h LYS 72 N -0.78 0.37 -0.00 0.00 6.56 -1.98 -0.36 116.57 120.38 2jwk h LYS 72 Ca -0.45 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2jwk h LYS 72 Cb 1.26 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2jwk h LYS 72 CO 0.62 0.24 -0.01 0.39 -2.06 0.00 0.00 179.45 178.64 2jwk n GLU 73 N -4.47 0.44 -3.25 3.15 4.71 -1.26 -4.79 120.64 115.18 2jwk n GLU 73 Ca 0.08 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.16 56.83 2jwk n GLU 73 Cb 0.33 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.20 2jwk n GLU 73 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2jwk s VAL 74 N -2.56 4.97 0.60 2.62 1.01 -0.15 -4.98 120.40 121.90 2jwk s VAL 74 Ca 0.29 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.29 2jwk s VAL 74 Cb 0.20 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2jwk s VAL 74 CO 0.46 0.42 1.03 -2.16 0.00 0.00 0.00 175.10 174.85 2jwk s PRO 75 N -0.13 3.49 0.30 2.72 0.04 -1.26 -4.82 135.00 135.33 2jwk s PRO 75 Ca 0.30 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2jwk s PRO 75 Cb -0.18 -2.06 0.46 0.00 0.04 0.00 0.00 34.50 32.76 2jwk s PRO 75 CO 0.16 -0.66 1.81 -0.92 0.04 0.00 0.00 177.00 177.43 2jwk h TYR 76 N 0.20 0.68 -0.83 0.56 3.20 -1.97 -2.32 116.97 116.48 2jwk h TYR 76 Ca -0.46 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.41 2jwk h TYR 76 Cb 1.20 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 2jwk h TYR 76 CO 0.62 0.66 0.54 0.93 -1.64 0.00 0.00 178.16 179.28 2jwk h GLU 77 N 0.60 0.81 -0.17 1.82 5.08 -2.00 -0.32 114.58 120.41 2jwk h GLU 77 Ca 0.12 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2jwk h GLU 77 Cb 0.42 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2jwk h GLU 77 CO 0.02 0.54 -0.51 0.93 -1.00 0.00 0.00 179.01 178.98 2jwk h GLU 78 N 0.84 0.47 -0.79 2.33 3.07 -1.81 -2.37 114.58 116.32 2jwk h GLU 78 Ca 0.38 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 2jwk h GLU 78 Cb 0.36 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 2jwk h GLU 78 CO -0.15 0.87 0.36 0.28 -1.40 0.00 0.00 179.01 178.97 2jwk h VAL 79 N 0.37 1.25 -0.26 3.13 2.07 -0.85 -1.63 116.25 120.32 2jwk h VAL 79 Ca 0.01 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2jwk h VAL 79 Cb 1.02 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2jwk h VAL 79 CO 0.09 0.31 0.17 0.40 0.02 0.00 0.00 177.57 178.56 2jwk h ILE 80 N 1.13 1.07 -0.63 4.57 1.08 -0.94 -1.87 117.51 121.92 2jwk h ILE 80 Ca 0.27 -0.14 0.09 0.00 -0.39 0.00 0.00 64.86 64.69 2jwk h ILE 80 Cb 0.14 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 34.53 2jwk h ILE 80 CO -0.03 0.07 0.26 0.11 -0.69 0.00 0.00 178.15 177.87 2jwk h LYS 81 N 0.35 0.45 -0.14 2.37 1.79 -0.91 0.22 116.57 120.70 2jwk h LYS 81 Ca 0.09 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2jwk h LYS 81 Cb -0.03 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 2jwk h LYS 81 CO -0.02 0.30 0.06 0.00 -1.08 0.00 0.00 179.45 178.71 2jwk h ALA 82 N 1.41 0.17 -0.69 3.86 0.00 -0.89 0.26 119.26 123.36 2jwk h ALA 82 Ca 0.31 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2jwk h ALA 82 Cb 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2jwk h ALA 82 CO -0.28 -0.38 0.42 -0.07 0.00 0.00 0.00 179.25 178.94 2jwk h LEU 83 N 0.14 0.82 -0.78 0.00 3.38 -0.69 -1.78 115.31 116.40 2jwk h LEU 83 Ca 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 83 Cb 0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2jwk h LEU 83 CO -0.05 0.62 0.45 -1.13 0.09 0.00 0.00 178.44 178.42 2jwk h ASN 84 N 0.95 0.95 -0.46 -0.43 -0.73 0.33 -1.64 115.58 114.55 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 -0.05 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.28 2jwk h ASN 84 CO -0.05 0.75 -0.04 -0.07 -0.37 0.00 0.00 177.43 177.65 2jwk h LEU 85 N 1.07 0.89 -0.60 0.34 3.38 -0.14 -1.36 115.31 118.88 2jwk h LEU 85 Ca 0.28 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2jwk h LEU 85 Cb -0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2jwk h LEU 85 CO -0.05 0.97 0.20 -0.07 0.09 0.00 0.00 178.44 179.58 2jwk h LEU 86 N 0.83 0.87 -0.54 1.67 -0.00 -1.06 -2.49 115.31 114.58 2jwk h LEU 86 Ca 0.15 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 2jwk h LEU 86 Cb 0.55 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 2jwk h LEU 86 CO 0.03 0.84 0.22 -0.74 -0.00 0.00 0.00 178.44 178.79 2jwk h HIS 87 N 0.85 0.82 -0.92 1.13 2.76 -1.03 0.12 115.15 118.88 2jwk h HIS 87 Ca 0.19 -0.06 0.07 0.00 -2.20 0.00 0.00 60.37 58.38 2jwk h HIS 87 Cb 0.27 -0.25 -0.06 0.00 1.55 0.00 0.00 27.41 28.93 2jwk h HIS 87 CO 0.02 0.67 0.60 1.25 -1.30 0.00 0.00 177.93 179.16 2jwk h LEU 88 N 0.74 0.91 -1.61 0.26 5.85 -0.96 -0.86 115.31 119.63 2jwk h LEU 88 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2jwk h LEU 88 Cb 0.19 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2jwk h LEU 88 CO -0.02 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 178.66 2jwk n ALA 89 N -2.39 2.61 -3.54 1.25 0.00 -0.97 -4.93 120.51 112.54 2jwk n ALA 89 Ca 0.14 -0.74 -0.21 0.00 0.00 0.00 0.00 53.44 52.63 2jwk n ALA 89 Cb 0.22 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.45 0.10 0.00 0.00 -0.33 -4.89 105.19 100.56 2jwk n GLY 90 Ca 0.13 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.58 1.23 -0.97 -0.61 5.41 0.38 -5.02 119.36 115.22 2jwk n ILE 91 Ca -0.14 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.04 2jwk n ILE 91 Cb 0.61 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72