#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 1.02 -4.06 1.61 7.64 -1.26 -5.03 113.62 113.55 2jwk n SER 20 Ca 0.00 0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.75 2jwk n SER 20 Cb 0.00 -0.47 -0.17 0.00 -1.01 0.00 0.00 64.21 62.57 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 -1.98 1.59 1.13 0.44 1.01 -1.26 -5.14 120.40 116.20 2jwk s VAL 21 Ca -0.11 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 2jwk s VAL 21 Cb 0.01 -1.46 0.18 0.00 0.00 0.00 0.00 36.38 35.11 2jwk s VAL 21 CO 0.16 0.46 0.29 -2.65 0.00 0.00 0.00 175.10 173.36 2jwk n PRO 22 N 4.37 -2.37 -3.97 2.72 -0.02 -1.26 -4.29 135.00 130.18 2jwk n PRO 22 Ca -0.18 -0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 60.26 2jwk n PRO 22 Cb 0.51 -1.67 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 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 2.96 -0.17 -1.45 1.01 -0.52 -3.59 120.40 116.48 2jwk s VAL 23 Ca 0.51 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2jwk s VAL 23 Cb -0.10 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2jwk s VAL 23 CO 0.52 0.41 -0.05 -0.63 0.00 0.00 0.00 175.10 175.36 2jwk s ILE 24 N 1.41 3.63 -0.21 2.22 1.09 -0.14 -2.17 121.20 127.03 2jwk s ILE 24 Ca 0.05 -0.44 -0.03 0.00 -1.10 0.00 0.00 60.65 59.13 2jwk s ILE 24 Cb -0.14 -2.59 -0.00 0.00 -1.06 0.00 0.00 42.46 38.66 2jwk s ILE 24 CO -0.06 0.48 -0.08 -0.22 -0.10 0.00 0.00 174.94 174.96 2jwk s LEU 25 N 0.63 2.71 -0.17 2.97 0.20 -0.75 0.73 118.68 125.00 2jwk s LEU 25 Ca -0.03 -0.45 -0.04 0.00 0.69 0.00 0.00 54.13 54.29 2jwk s LEU 25 Cb -0.15 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 2jwk s LEU 25 CO 0.02 -0.02 -0.03 -0.70 -0.29 0.00 0.00 176.35 175.34 2jwk s GLU 26 N 1.43 3.63 -0.32 1.98 2.12 0.18 -1.83 118.70 125.89 2jwk s GLU 26 Ca 0.06 -0.53 -0.23 0.00 0.36 0.00 0.00 54.97 54.62 2jwk s GLU 26 Cb -0.14 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2jwk s GLU 26 CO -0.06 0.17 0.77 0.08 -0.54 0.00 0.00 175.26 175.69 2jwk s VAL 27 N 0.55 4.79 -0.11 3.70 1.01 -0.03 -0.54 120.40 129.78 2jwk s VAL 27 Ca -0.03 1.06 0.21 0.00 0.00 0.00 0.00 61.98 63.22 2jwk s VAL 27 Cb -0.14 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 2jwk s VAL 27 CO 0.03 -0.29 0.54 0.00 0.00 0.00 0.00 175.10 175.38 2jwk n ALA 28 N 6.24 2.39 -2.00 5.51 0.00 -0.79 -2.40 120.51 129.45 2jwk n ALA 28 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2jwk n ALA 28 Cb 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.15 3.14 0.00 0.00 -1.22 -4.84 105.19 103.48 2jwk n GLY 29 Ca -0.10 0.58 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 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 2.84 3.35 0.00 -0.61 -1.09 -1.26 -4.60 121.20 119.83 2jwk s ILE 30 Ca 0.00 -1.93 0.00 0.00 -2.23 0.00 0.00 60.65 56.49 2jwk s ILE 30 Cb 0.00 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2jwk s ILE 30 CO 0.00 -0.62 0.00 0.61 -1.23 0.00 0.00 174.94 173.70 2jwk n GLY 31 N 4.63 0.77 3.20 6.18 0.00 -1.26 -4.97 105.19 113.73 2jwk n GLY 31 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.19 2.87 0.18 1.61 1.02 -1.26 -4.32 119.74 119.65 2jwk s LYS 32 Ca 0.00 -2.32 0.05 0.00 0.02 0.00 0.00 55.97 53.72 2jwk s LYS 32 Cb 0.00 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 2jwk s LYS 32 CO 0.00 -1.22 0.19 0.71 -0.92 0.00 0.00 175.35 174.12 2jwk s TYR 33 N 0.36 3.23 0.00 3.18 2.02 -0.89 -1.89 117.35 123.36 2jwk s TYR 33 Ca 0.14 -0.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.90 2jwk s TYR 33 Cb -0.19 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 2jwk s TYR 33 CO -0.04 0.51 -0.21 0.00 -1.57 0.00 0.00 175.55 174.24 2jwk s ALA 34 N -1.84 1.73 -0.03 3.71 0.00 0.30 -1.67 121.76 123.96 2jwk s ALA 34 Ca 0.32 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.37 2jwk s ALA 34 Cb -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2jwk s ALA 34 CO 0.25 0.41 -0.09 0.96 0.00 0.00 0.00 175.76 177.29 2jwk s ILE 35 N -0.58 0.83 -0.26 0.00 -4.36 0.26 0.50 121.20 117.59 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 0.01 0.00 1.25 0.00 0.00 42.46 42.89 2jwk s ILE 35 CO -0.00 0.26 -0.00 -0.55 0.24 0.00 0.00 174.94 174.89 2jwk s SER 36 N 0.29 4.62 -0.29 4.36 0.15 0.22 0.17 113.70 123.23 2jwk s SER 36 Ca -0.05 -0.74 -0.01 0.00 0.70 0.00 0.00 55.95 55.86 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 -0.14 -0.03 -0.63 1.20 0.00 0.00 173.24 173.65 2jwk s ILE 37 N 1.41 2.79 -1.55 6.45 1.01 0.15 -0.96 121.20 130.50 2jwk s ILE 37 Ca 0.02 -1.40 -0.10 0.00 0.00 0.00 0.00 60.65 59.17 2jwk s ILE 37 Cb -0.16 -2.59 0.08 0.00 0.01 0.00 0.00 42.46 39.79 2jwk s ILE 37 CO -0.02 -0.05 0.65 0.61 0.00 0.00 0.00 174.94 176.13 2jwk n GLY 38 N 4.59 -0.35 1.11 6.18 0.00 -1.24 -1.08 105.19 114.39 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 -1.70 3.05 3.70 -0.02 0.00 -1.26 -5.03 105.19 103.93 2jwk n GLY 39 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.27 4.34 -0.13 1.61 2.56 -0.24 -5.06 118.70 121.51 2jwk s GLU 40 Ca 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 54.97 55.62 2jwk s GLU 40 Cb 0.00 -3.48 -0.03 0.00 2.00 0.00 0.00 34.13 32.61 2jwk s GLU 40 CO 0.00 -0.01 0.01 0.50 -0.56 0.00 0.00 175.26 175.20 2jwk s ARG 41 N 1.10 3.47 -0.13 4.30 3.00 -1.26 0.31 118.95 129.74 2jwk s ARG 41 Ca 0.32 -0.41 0.02 0.00 -1.00 0.00 0.00 55.73 54.66 2jwk s ARG 41 Cb -0.16 -2.95 0.00 0.00 0.00 0.00 0.00 34.95 31.84 2jwk s ARG 41 CO 0.14 0.46 -0.20 -0.65 0.00 0.00 0.00 175.30 175.04 2jwk s GLN 42 N -0.19 3.10 0.24 5.12 -0.21 0.13 -4.96 119.66 122.88 2jwk s GLN 42 Ca 0.05 -0.82 0.10 0.00 0.02 0.00 0.00 55.36 54.71 2jwk s GLN 42 Cb -0.12 -2.46 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 2jwk s GLN 42 CO 0.02 0.05 -0.13 -2.00 -2.12 0.00 0.00 175.29 171.12 2jwk s GLU 43 N 0.67 1.92 0.00 2.91 2.12 -1.26 -0.57 118.70 124.48 2jwk s GLU 43 Ca -0.10 -1.51 0.00 0.00 0.36 0.00 0.00 54.97 53.72 2jwk s GLU 43 Cb -0.16 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2jwk s GLU 43 CO 0.02 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 2jwk n GLY 44 N -0.39 0.38 3.86 -1.50 0.00 -1.21 -5.02 105.19 101.31 2jwk n GLY 44 Ca -0.08 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 4.10 0.62 0.99 1.43 -0.67 -4.92 118.68 120.23 2jwk s LEU 45 Ca 0.00 1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 54.20 2jwk s LEU 45 Cb 0.00 -3.90 0.06 0.00 0.03 0.00 0.00 46.19 42.38 2jwk s LEU 45 CO 0.00 -0.15 0.87 0.42 0.23 0.00 0.00 176.35 177.72 2jwk s THR 46 N -1.92 2.48 0.11 5.49 -4.23 -1.26 -2.10 115.64 114.21 2jwk s THR 46 Ca 0.51 -0.56 -0.16 0.00 -1.18 0.00 0.00 61.69 60.31 2jwk s THR 46 Cb -0.11 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 2jwk s THR 46 CO 0.19 0.00 1.52 -0.33 -0.54 0.00 0.00 174.62 175.46 2jwk h GLU 47 N -0.20 0.64 -0.66 3.99 5.08 -1.99 0.27 114.58 121.71 2jwk h GLU 47 Ca -0.42 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 57.65 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 0.80 0.20 1.49 -1.00 0.00 0.00 179.01 181.02 2jwk h GLU 48 N 0.43 1.01 -0.19 2.33 4.57 -1.97 -1.89 114.58 118.87 2jwk h GLU 48 Ca 0.09 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 2jwk h GLU 48 Cb 0.55 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2jwk h GLU 48 CO 0.03 0.87 -0.20 0.52 -1.18 0.00 0.00 179.01 179.05 2jwk h MET 49 N 0.98 0.48 -0.49 1.92 2.86 -1.92 -2.35 114.93 116.40 2jwk h MET 49 Ca 0.21 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2jwk h MET 49 Cb 0.29 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2jwk h MET 49 CO -0.01 0.83 0.32 -0.24 1.06 0.00 0.00 176.91 178.88 2jwk h VAL 50 N 0.15 1.04 -0.01 -2.22 3.04 -0.78 -1.65 116.25 115.81 2jwk h VAL 50 Ca 0.03 -0.18 -0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2jwk h VAL 50 Cb 0.75 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2jwk h VAL 50 CO 0.05 0.10 0.00 0.74 -1.01 0.00 0.00 177.57 177.45 2jwk h THR 51 N 0.53 1.17 -0.34 3.17 2.02 -1.20 -0.57 112.91 117.69 2jwk h THR 51 Ca 0.20 -0.49 0.08 0.00 0.77 0.00 0.00 66.41 66.97 2jwk h THR 51 Cb 0.13 1.48 -0.08 0.00 -1.74 0.00 0.00 68.15 67.94 2jwk h THR 51 CO -0.05 0.13 -0.23 -0.61 0.37 0.00 0.00 175.52 175.12 2jwk h GLN 52 N -0.19 -0.18 -0.14 6.66 4.15 -0.78 0.22 115.11 124.84 2jwk h GLN 52 Ca 0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2jwk h GLN 52 Cb 0.21 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2jwk h GLN 52 CO -0.00 -0.12 0.04 -0.07 -1.93 0.00 0.00 178.83 176.75 2jwk h LEU 53 N -0.19 0.22 -0.66 -2.39 3.38 -1.34 -1.03 115.31 113.30 2jwk h LEU 53 Ca 0.17 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2jwk h LEU 53 Cb 0.46 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2jwk h LEU 53 CO -0.45 0.38 0.39 -1.28 0.09 0.00 0.00 178.44 177.57 2jwk h SER 54 N 0.04 0.62 -0.33 -0.43 0.87 -0.66 -0.39 113.55 113.27 2jwk h SER 54 Ca 0.05 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2jwk h SER 54 Cb 0.25 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2jwk h SER 54 CO -0.00 0.42 0.00 -0.09 -0.53 0.00 0.00 176.83 176.64 2jwk h ARG 55 N 0.75 0.59 -0.76 2.24 1.12 -0.51 -1.61 114.38 116.20 2jwk h ARG 55 Ca 0.27 -0.19 -0.06 0.00 -1.11 0.00 0.00 59.98 58.90 2jwk h ARG 55 Cb 0.08 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 29.95 2jwk h ARG 55 CO -0.13 0.71 0.25 0.37 -3.11 0.00 0.00 179.97 178.06 2jwk h GLN 56 N 0.39 1.18 -0.33 0.20 4.15 -0.84 -1.16 115.11 118.70 2jwk h GLN 56 Ca 0.09 -0.25 -0.16 0.00 0.77 0.00 0.00 58.65 59.11 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 0.99 -0.42 0.93 -1.93 0.00 0.00 178.83 178.42 2jwk h GLU 57 N 1.13 0.81 0.00 1.69 4.39 -1.01 -2.46 114.58 119.13 2jwk h GLU 57 Ca 0.25 -0.43 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 2jwk h GLU 57 Cb 0.29 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2jwk h GLU 57 CO -0.01 1.07 -0.51 0.35 -1.16 0.00 0.00 179.01 178.75 2jwk h PHE 58 N 0.65 0.00 0.00 4.33 3.57 -1.09 -0.80 116.94 123.61 2jwk h PHE 58 Ca 0.05 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 2jwk h PHE 58 Cb 0.98 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2jwk h PHE 58 CO 0.06 0.51 -0.65 0.22 -2.23 0.00 0.00 178.31 176.22 2jwk h ASP 59 N 0.00 0.00 0.50 0.41 3.58 -1.11 -3.12 116.42 116.68 2jwk h ASP 59 Ca -0.01 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 2jwk h ASP 59 Cb 0.93 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 2jwk h ASP 59 CO 0.07 0.65 -1.55 0.11 -2.88 0.00 0.00 179.24 175.63 2jwk h LYS 60 N 0.00 0.16 -3.38 0.28 1.57 -1.31 -3.42 116.57 110.48 2jwk h LYS 60 Ca -0.01 -0.28 -0.60 0.00 -1.87 0.00 0.00 60.65 57.89 2jwk h LYS 60 Cb 1.44 0.10 -0.40 0.00 0.08 0.00 0.00 32.23 33.46 2jwk h LYS 60 CO 0.08 0.97 -0.75 -0.51 -0.57 0.00 0.00 179.45 178.68 2jwk s ASP 61 N -6.75 3.90 0.20 0.86 1.01 -0.32 -4.99 116.67 110.58 2jwk s ASP 61 Ca -0.08 -2.07 0.20 0.00 0.71 0.00 0.00 52.55 51.31 2jwk s ASP 61 Cb 0.07 -0.96 0.87 0.00 1.01 0.00 0.00 42.92 43.91 2jwk s ASP 61 CO 0.83 -0.35 1.60 0.59 0.21 0.00 0.00 175.17 178.05 2jwk n ASN 62 N 4.28 0.46 -1.33 0.27 4.13 -1.18 -2.42 115.26 119.48 2jwk n ASN 62 Ca 0.03 0.63 0.08 0.00 1.68 0.00 0.00 54.58 57.00 2jwk n ASN 62 Cb 0.39 -0.72 0.32 0.00 -1.54 0.00 0.00 39.78 38.23 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 -2.03 4.66 -4.61 6.41 4.13 -1.26 -4.98 115.26 117.58 2jwk n ASN 63 Ca 0.02 -2.91 -0.43 0.00 1.68 0.00 0.00 54.58 52.93 2jwk n ASN 63 Cb 0.17 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 37.79 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 -2.68 3.52 0.09 3.41 2.01 -1.02 -2.99 115.64 117.99 2jwk s THR 64 Ca 0.47 0.55 -0.31 0.00 0.31 0.00 0.00 61.69 62.72 2jwk s THR 64 Cb 0.36 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 69.14 2jwk s THR 64 CO 0.13 -0.37 1.54 -0.22 -0.69 0.00 0.00 174.62 175.01 2jwk s LEU 65 N 6.37 4.36 -0.12 4.42 2.96 -1.26 -4.89 118.68 130.52 2jwk s LEU 65 Ca 0.78 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 57.12 2jwk s LEU 65 Cb -0.24 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.86 2jwk s LEU 65 CO 0.33 -0.80 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.06 2jwk s PHE 66 N 1.95 2.79 -0.00 5.38 0.08 -1.26 -1.44 117.98 125.48 2jwk s PHE 66 Ca 0.70 -0.60 0.02 0.00 0.12 0.00 0.00 56.93 57.17 2jwk s PHE 66 Cb -0.39 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 2jwk s PHE 66 CO 0.31 -0.17 -0.07 -0.48 -0.10 0.00 0.00 175.22 174.71 2jwk s LEU 67 N 0.21 2.04 -0.03 -0.37 0.05 -0.92 -5.01 118.68 114.65 2jwk s LEU 67 Ca -0.08 -0.16 0.04 0.00 0.05 0.00 0.00 54.13 53.98 2jwk s LEU 67 Cb -0.15 -0.34 -0.01 0.00 -2.05 0.00 0.00 46.19 43.65 2jwk s LEU 67 CO 0.05 0.06 -0.16 0.54 -0.55 0.00 0.00 176.35 176.29 2jwk s VAL 68 N -0.27 1.32 0.01 1.48 0.11 -1.26 -1.82 120.40 119.98 2jwk s VAL 68 Ca 0.02 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 2jwk s VAL 68 Cb -0.03 -1.13 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 2jwk s VAL 68 CO -0.00 0.38 -0.03 -0.83 -3.33 0.00 0.00 175.10 171.29 2jwk s GLY 69 N -0.07 0.20 0.19 6.54 0.00 -0.76 -5.00 107.32 108.42 2jwk s GLY 69 Ca -0.01 -0.40 0.10 0.00 0.00 0.00 0.00 44.72 44.42 2jwk s GLY 69 CO 0.01 -0.43 -0.22 -0.32 0.00 0.00 0.00 173.10 172.14 2jwk s GLY 70 N -0.91 1.60 0.75 0.20 0.00 -1.26 -0.85 107.32 106.86 2jwk s GLY 70 Ca -0.09 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 2jwk s GLY 70 CO -0.00 -1.63 1.10 0.00 0.00 0.00 0.00 173.10 172.56 2jwk s ALA 71 N -1.84 2.60 0.46 3.20 0.00 -1.01 -4.92 121.76 120.26 2jwk s ALA 71 Ca 0.19 -0.32 0.15 0.00 0.00 0.00 0.00 51.96 51.99 2jwk s ALA 71 Cb -0.07 -3.05 1.12 0.00 0.00 0.00 0.00 23.12 21.11 2jwk s ALA 71 CO 0.09 -1.43 2.03 0.87 0.00 0.00 0.00 175.76 177.32 2jwk h LYS 72 N -0.87 0.27 -0.00 0.00 6.56 -1.98 -0.34 116.57 120.21 2jwk h LYS 72 Ca -0.46 -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 0.62 0.18 -0.04 0.39 -2.06 0.00 0.00 179.45 178.54 2jwk n GLU 73 N -4.47 0.46 -2.94 3.15 1.02 -1.26 -4.81 120.64 111.80 2jwk n GLU 73 Ca 0.06 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 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 -2.57 4.85 0.51 2.62 1.01 -0.14 -5.01 120.40 121.67 2jwk s VAL 74 Ca 0.28 1.67 -0.19 0.00 0.00 0.00 0.00 61.98 63.73 2jwk s VAL 74 Cb 0.20 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 2jwk s VAL 74 CO 0.47 0.29 1.03 -2.16 0.00 0.00 0.00 175.10 174.73 2jwk s PRO 75 N 0.42 3.75 0.29 2.72 0.04 -1.26 -4.86 135.00 136.11 2jwk s PRO 75 Ca 0.41 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 2jwk s PRO 75 Cb -0.20 -2.09 0.45 0.00 0.04 0.00 0.00 34.50 32.70 2jwk s PRO 75 CO 0.23 -0.46 1.85 -0.92 0.04 0.00 0.00 177.00 177.74 2jwk h TYR 76 N 1.24 0.81 -0.77 0.56 3.20 -1.97 -2.19 116.97 117.85 2jwk h TYR 76 Ca -0.48 -0.06 0.09 0.00 3.14 0.00 0.00 58.73 61.41 2jwk h TYR 76 Cb 1.21 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 2jwk h TYR 76 CO 0.59 0.67 0.50 0.93 -1.64 0.00 0.00 178.16 179.21 2jwk h GLU 77 N 0.77 0.71 -0.13 1.82 4.39 -2.00 -0.44 114.58 119.70 2jwk h GLU 77 Ca 0.17 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 2jwk h GLU 77 Cb 0.26 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2jwk h GLU 77 CO -0.01 0.47 -0.60 1.49 -1.16 0.00 0.00 179.01 179.21 2jwk h GLU 78 N 0.73 0.43 -0.70 2.33 4.57 -1.79 -2.37 114.58 117.78 2jwk h GLU 78 Ca 0.35 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2jwk h GLU 78 Cb 0.39 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 2jwk h GLU 78 CO -0.13 0.90 0.28 0.28 -1.18 0.00 0.00 179.01 179.16 2jwk h VAL 79 N 0.32 1.24 -0.25 0.32 2.07 -0.86 -1.59 116.25 117.50 2jwk h VAL 79 Ca -0.00 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2jwk h VAL 79 Cb 1.13 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2jwk h VAL 79 CO 0.10 0.30 0.14 0.40 0.02 0.00 0.00 177.57 178.54 2jwk h ILE 80 N 1.01 1.10 -0.68 4.57 1.08 -1.02 -1.86 117.51 121.71 2jwk h ILE 80 Ca 0.23 -0.26 0.09 0.00 -0.39 0.00 0.00 64.86 64.53 2jwk h ILE 80 Cb 0.19 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 34.70 2jwk h ILE 80 CO -0.02 0.10 0.33 0.11 -0.69 0.00 0.00 178.15 177.98 2jwk h LYS 81 N 0.30 0.56 -0.21 2.37 1.79 -0.93 0.10 116.57 120.56 2jwk h LYS 81 Ca 0.09 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2jwk h LYS 81 Cb 0.04 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2jwk h LYS 81 CO -0.02 0.37 0.12 0.00 -1.08 0.00 0.00 179.45 178.84 2jwk h ALA 82 N 1.41 0.25 -0.69 3.86 0.00 -0.90 -0.76 119.26 122.43 2jwk h ALA 82 Ca 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 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 -0.26 -0.29 0.42 -0.07 0.00 0.00 0.00 179.25 179.05 2jwk h LEU 83 N 0.24 0.82 -0.83 0.00 3.38 -0.65 -1.74 115.31 116.53 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 40.50 2jwk h LEU 83 CO -0.04 0.63 0.50 -1.13 0.09 0.00 0.00 178.44 178.49 2jwk h ASN 84 N 0.95 1.00 -0.63 -0.43 -0.73 -0.01 -1.64 115.58 114.10 2jwk h ASN 84 Ca 0.25 -0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.27 2jwk h ASN 84 Cb -0.05 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.27 2jwk h ASN 84 CO -0.05 0.78 0.06 -0.07 -0.37 0.00 0.00 177.43 177.78 2jwk h LEU 85 N 1.14 1.04 -0.64 0.34 3.38 -0.29 -1.04 115.31 119.24 2jwk h LEU 85 Ca 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2jwk h LEU 85 Cb -0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 2jwk h LEU 85 CO -0.06 1.06 0.28 -0.07 0.09 0.00 0.00 178.44 179.74 2jwk h LEU 86 N 1.00 0.86 -0.61 1.67 -0.00 -1.03 -2.31 115.31 114.89 2jwk h LEU 86 Ca 0.19 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.87 2jwk h LEU 86 Cb 0.48 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 2jwk h LEU 86 CO 0.02 0.78 0.21 -0.74 -0.00 0.00 0.00 178.44 178.70 2jwk h HIS 87 N 0.89 0.96 -0.83 1.13 2.76 -1.02 0.73 115.15 119.77 2jwk h HIS 87 Ca 0.22 -0.09 0.05 0.00 -2.20 0.00 0.00 60.37 58.34 2jwk h HIS 87 Cb 0.17 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 28.80 2jwk h HIS 87 CO 0.01 0.79 0.54 1.25 -1.30 0.00 0.00 177.93 179.22 2jwk h LEU 88 N 0.86 0.86 -1.51 0.26 5.85 -0.82 -0.99 115.31 119.81 2jwk h LEU 88 Ca 0.20 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2jwk h LEU 88 Cb 0.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2jwk h LEU 88 CO -0.01 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 178.67 2jwk n ALA 89 N -2.41 2.48 -3.51 1.25 0.00 -0.90 -4.94 120.51 112.48 2jwk n ALA 89 Ca 0.11 -0.72 -0.21 0.00 0.00 0.00 0.00 53.44 52.63 2jwk n ALA 89 Cb 0.15 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.45 0.10 0.00 0.00 -0.38 -4.91 105.19 100.65 2jwk n GLY 90 Ca 0.13 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 1.21 -0.76 -0.61 5.41 0.21 -5.02 119.36 115.22 2jwk n ILE 91 Ca -0.13 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.08 2jwk n ILE 91 Cb 0.61 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72