#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 1.95 -4.07 1.61 2.88 -1.26 -4.95 113.62 109.78 2jwk n SER 20 Ca 0.00 0.29 -0.28 0.00 -1.33 0.00 0.00 58.87 57.55 2jwk n SER 20 Cb 0.00 -0.81 -0.17 0.00 -0.75 0.00 0.00 64.21 62.48 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 -2.47 1.47 1.18 2.46 1.01 -1.26 -5.13 120.40 117.66 2jwk s VAL 21 Ca -0.34 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 2jwk s VAL 21 Cb 0.11 -1.34 0.21 0.00 0.00 0.00 0.00 36.38 35.37 2jwk s VAL 21 CO 0.55 0.43 0.43 -2.65 0.00 0.00 0.00 175.10 173.87 2jwk n PRO 22 N 4.02 -2.61 -3.92 2.72 -0.02 -1.26 -4.33 135.00 129.59 2jwk n PRO 22 Ca -0.20 -0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 60.17 2jwk n PRO 22 Cb 0.52 -1.77 -0.14 0.00 -0.02 0.00 0.00 33.50 32.08 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 -2.20 3.24 -0.17 -1.45 1.01 0.02 -3.62 120.40 117.23 2jwk s VAL 23 Ca 0.56 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2jwk s VAL 23 Cb -0.13 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2jwk s VAL 23 CO 0.56 0.39 -0.04 -0.63 0.00 0.00 0.00 175.10 175.38 2jwk s ILE 24 N 1.45 3.70 -0.18 2.22 1.09 -0.16 -2.16 121.20 127.15 2jwk s ILE 24 Ca 0.05 -0.42 -0.01 0.00 -1.10 0.00 0.00 60.65 59.17 2jwk s ILE 24 Cb -0.15 -2.63 0.00 0.00 -1.06 0.00 0.00 42.46 38.62 2jwk s ILE 24 CO -0.04 0.47 -0.12 -0.22 -0.10 0.00 0.00 174.94 174.93 2jwk s LEU 25 N 0.67 2.54 -0.17 2.97 0.20 -0.73 0.53 118.68 124.70 2jwk s LEU 25 Ca -0.03 -0.49 -0.03 0.00 0.69 0.00 0.00 54.13 54.28 2jwk s LEU 25 Cb -0.15 -1.61 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 2jwk s LEU 25 CO 0.02 0.03 -0.06 -0.70 -0.29 0.00 0.00 176.35 175.35 2jwk s GLU 26 N 1.17 3.52 -0.42 1.98 2.12 0.12 -1.62 118.70 125.57 2jwk s GLU 26 Ca 0.01 -0.59 -0.25 0.00 0.36 0.00 0.00 54.97 54.50 2jwk s GLU 26 Cb -0.14 -2.88 0.02 0.00 0.26 0.00 0.00 34.13 31.39 2jwk s GLU 26 CO -0.05 0.11 0.92 0.08 -0.54 0.00 0.00 175.26 175.78 2jwk s VAL 27 N 0.68 4.53 -0.17 3.70 1.01 0.57 -0.96 120.40 129.77 2jwk s VAL 27 Ca -0.03 0.94 0.20 0.00 0.00 0.00 0.00 61.98 63.09 2jwk s VAL 27 Cb -0.15 -4.38 -0.10 0.00 0.00 0.00 0.00 36.38 31.75 2jwk s VAL 27 CO 0.02 -0.69 0.85 0.00 0.00 0.00 0.00 175.10 175.28 2jwk n ALA 28 N 6.97 2.30 -2.00 5.51 0.00 -0.85 -2.15 120.51 130.29 2jwk n ALA 28 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2jwk n ALA 28 Cb 0.48 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.29 -0.29 3.14 0.00 0.00 -1.21 -4.82 105.19 103.30 2jwk n GLY 29 Ca -0.05 0.60 -0.37 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 2.97 3.49 0.00 -0.61 -1.09 -1.26 -4.59 121.20 120.11 2jwk s ILE 30 Ca 0.00 -2.06 0.00 0.00 -2.23 0.00 0.00 60.65 56.36 2jwk s ILE 30 Cb 0.00 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 2jwk s ILE 30 CO 0.00 -0.72 0.00 0.61 -1.23 0.00 0.00 174.94 173.60 2jwk n GLY 31 N 4.58 1.27 3.55 6.18 0.00 -1.26 -5.03 105.19 114.48 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 -0.20 3.65 0.05 1.61 3.01 -1.26 -4.18 119.74 122.41 2jwk s LYS 32 Ca 0.00 -0.47 -0.00 0.00 -1.01 0.00 0.00 55.97 54.49 2jwk s LYS 32 Cb 0.00 -2.96 -0.04 0.00 -1.01 0.00 0.00 37.83 33.82 2jwk s LYS 32 CO 0.00 0.31 -0.04 0.71 0.51 0.00 0.00 175.35 176.84 2jwk s TYR 33 N 0.19 0.54 0.02 3.18 1.51 -0.86 -2.00 117.35 119.93 2jwk s TYR 33 Ca -0.00 -0.95 0.07 0.00 -1.01 0.00 0.00 57.07 55.17 2jwk s TYR 33 Cb -0.13 -0.38 -0.02 0.00 -0.11 0.00 0.00 41.96 41.32 2jwk s TYR 33 CO 0.02 -0.31 -0.20 0.00 -1.11 0.00 0.00 175.55 173.95 2jwk s ALA 34 N -3.45 1.68 -0.05 3.71 0.00 -0.13 -1.52 121.76 122.00 2jwk s ALA 34 Ca 0.04 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2jwk s ALA 34 Cb 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.80 2jwk s ALA 34 CO -0.08 0.39 -0.11 0.96 0.00 0.00 0.00 175.76 176.92 2jwk s ILE 35 N -0.64 1.00 -0.27 0.00 -4.36 0.15 0.15 121.20 117.22 2jwk s ILE 35 Ca 0.07 -0.44 -0.04 0.00 -0.26 0.00 0.00 60.65 59.98 2jwk s ILE 35 Cb -0.08 -0.90 0.02 0.00 1.25 0.00 0.00 42.46 42.75 2jwk s ILE 35 CO 0.01 0.31 0.01 -0.44 0.24 0.00 0.00 174.94 175.07 2jwk s SER 36 N 0.42 4.73 -0.29 4.36 0.01 0.19 -0.05 113.70 123.06 2jwk s SER 36 Ca -0.08 -0.83 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 2jwk s SER 36 Cb -0.12 -1.77 0.05 0.00 0.21 0.00 0.00 66.02 64.39 2jwk s SER 36 CO 0.02 -0.17 -0.01 -0.63 0.41 0.00 0.00 173.24 172.86 2jwk s ILE 37 N 1.40 2.94 -1.51 1.44 1.01 0.11 -0.99 121.20 125.60 2jwk s ILE 37 Ca 0.01 -1.37 -0.07 0.00 0.00 0.00 0.00 60.65 59.22 2jwk s ILE 37 Cb -0.17 -2.68 0.06 0.00 0.01 0.00 0.00 42.46 39.68 2jwk s ILE 37 CO -0.01 -0.08 0.59 0.61 0.00 0.00 0.00 174.94 176.05 2jwk n GLY 38 N 4.62 -0.32 1.37 6.18 0.00 -1.24 -1.19 105.19 114.61 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 -1.77 3.10 3.70 -0.02 0.00 -1.26 -5.03 105.19 103.91 2jwk n GLY 39 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.36 4.32 -0.15 1.61 8.01 -0.34 -5.06 118.70 126.74 2jwk s GLU 40 Ca 0.00 0.60 -0.05 0.00 0.01 0.00 0.00 54.97 55.53 2jwk s GLU 40 Cb 0.00 -3.49 -0.04 0.00 -4.31 0.00 0.00 34.13 26.30 2jwk s GLU 40 CO 0.00 0.00 0.02 0.50 0.01 0.00 0.00 175.26 175.80 2jwk s ARG 41 N 1.10 3.61 -0.13 1.61 3.00 -1.26 0.08 118.95 126.95 2jwk s ARG 41 Ca 0.30 -0.39 0.02 0.00 -1.00 0.00 0.00 55.73 54.65 2jwk s ARG 41 Cb -0.16 -3.02 -0.00 0.00 0.00 0.00 0.00 34.95 31.77 2jwk s ARG 41 CO 0.12 0.41 -0.19 -0.65 0.00 0.00 0.00 175.30 174.99 2jwk s GLN 42 N -0.04 3.15 0.24 5.12 -0.21 0.93 -4.97 119.66 123.89 2jwk s GLN 42 Ca 0.04 -0.80 0.11 0.00 0.02 0.00 0.00 55.36 54.73 2jwk s GLN 42 Cb -0.13 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 2jwk s GLN 42 CO 0.02 0.08 -0.15 -1.21 -2.12 0.00 0.00 175.29 171.91 2jwk s GLU 43 N 0.62 1.85 -0.04 2.91 2.02 -1.26 -0.67 118.70 124.13 2jwk s GLU 43 Ca -0.10 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 53.34 2jwk s GLU 43 Cb -0.16 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.12 2jwk s GLU 43 CO 0.03 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.09 2jwk n GLY 44 N -0.36 0.37 3.83 -1.39 0.00 -1.21 -5.02 105.19 101.42 2jwk n GLY 44 Ca -0.08 -0.95 -0.34 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 -0.10 4.18 0.61 0.99 1.43 -0.57 -4.91 118.68 120.31 2jwk s LEU 45 Ca 0.00 1.37 -0.00 0.00 -1.03 0.00 0.00 54.13 54.47 2jwk s LEU 45 Cb 0.00 -3.89 0.06 0.00 0.03 0.00 0.00 46.19 42.39 2jwk s LEU 45 CO 0.00 -0.11 0.86 0.42 0.23 0.00 0.00 176.35 177.75 2jwk s THR 46 N -1.79 2.48 0.09 5.49 -4.23 -1.26 -2.02 115.64 114.39 2jwk s THR 46 Ca 0.50 -0.60 -0.18 0.00 -1.18 0.00 0.00 61.69 60.23 2jwk s THR 46 Cb -0.13 -2.88 -0.07 0.00 1.34 0.00 0.00 72.50 70.77 2jwk s THR 46 CO 0.19 0.00 1.53 -0.33 -0.54 0.00 0.00 174.62 175.47 2jwk h GLU 47 N -0.16 0.50 -0.70 3.99 5.08 -1.99 0.84 114.58 122.13 2jwk h GLU 47 Ca -0.41 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 57.74 2jwk h GLU 47 Cb 1.29 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2jwk h GLU 47 CO 0.50 0.65 0.20 1.49 -1.00 0.00 0.00 179.01 180.84 2jwk h GLU 48 N 0.28 1.10 -0.30 2.33 4.81 -1.96 -2.02 114.58 118.82 2jwk h GLU 48 Ca 0.08 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 58.91 2jwk h GLU 48 Cb 0.42 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2jwk h GLU 48 CO 0.01 0.95 -0.43 1.98 -0.73 0.00 0.00 179.01 180.79 2jwk h MET 49 N 1.05 0.83 -0.40 1.92 4.05 -1.92 -2.38 114.93 118.08 2jwk h MET 49 Ca 0.23 -0.49 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 2jwk h MET 49 Cb 0.33 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 2jwk h MET 49 CO -0.00 1.12 0.10 -0.24 0.23 0.00 0.00 176.91 178.12 2jwk h VAL 50 N 0.60 1.18 -0.00 -5.77 3.04 -0.69 -2.33 116.25 112.29 2jwk h VAL 50 Ca 0.03 -0.63 -0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2jwk h VAL 50 Cb 1.03 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2jwk h VAL 50 CO 0.10 0.23 0.00 0.74 -1.01 0.00 0.00 177.57 177.63 2jwk h THR 51 N 0.57 1.14 -0.34 3.17 2.02 -1.25 -0.34 112.91 117.90 2jwk h THR 51 Ca 0.13 -0.43 0.08 0.00 0.77 0.00 0.00 66.41 66.96 2jwk h THR 51 Cb 0.21 1.43 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 2jwk h THR 51 CO -0.00 0.11 -0.23 -0.61 0.37 0.00 0.00 175.52 175.16 2jwk h GLN 52 N -0.17 -0.18 -0.16 6.66 4.15 -1.02 0.35 115.11 124.74 2jwk h GLN 52 Ca 0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2jwk h GLN 52 Cb 0.18 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 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 -0.18 0.25 -0.68 -2.39 3.38 -1.39 -0.74 115.31 113.56 2jwk h LEU 53 Ca 0.17 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.92 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 0.43 0.43 -1.28 0.09 0.00 0.00 178.44 177.66 2jwk h SER 54 N 0.06 0.70 -0.35 -0.43 0.87 -0.58 -0.95 113.55 112.85 2jwk h SER 54 Ca 0.05 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 2jwk h SER 54 Cb 0.29 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2jwk h SER 54 CO 0.00 0.48 -0.00 0.03 -0.53 0.00 0.00 176.83 176.81 2jwk h ARG 55 N 0.83 0.63 -0.66 2.24 2.47 -0.23 -0.72 114.38 118.93 2jwk h ARG 55 Ca 0.27 -0.20 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 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 0.74 0.27 0.37 0.56 0.00 0.00 179.97 181.80 2jwk h GLN 56 N 0.44 0.99 -0.32 0.04 5.75 -0.81 0.89 115.11 122.09 2jwk h GLN 56 Ca 0.10 -0.18 -0.17 0.00 -0.15 0.00 0.00 58.65 58.25 2jwk h GLN 56 Cb 0.46 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 2jwk h GLN 56 CO 0.02 0.83 -0.48 0.93 -2.65 0.00 0.00 178.83 177.48 2jwk h GLU 57 N 0.94 0.88 0.00 1.69 4.39 -1.12 -2.33 114.58 119.03 2jwk h GLU 57 Ca 0.22 -0.52 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 2jwk h GLU 57 Cb 0.21 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2jwk h GLU 57 CO -0.02 1.16 -0.40 0.35 -1.16 0.00 0.00 179.01 178.94 2jwk h PHE 58 N 0.70 0.00 0.00 4.33 3.57 -0.91 -0.38 116.94 124.25 2jwk h PHE 58 Ca 0.03 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 2jwk h PHE 58 Cb 1.08 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 2jwk h PHE 58 CO 0.07 0.40 -0.74 0.22 -2.23 0.00 0.00 178.31 176.03 2jwk h ASP 59 N 0.00 0.00 0.43 0.41 1.82 -0.70 -3.21 116.42 115.17 2jwk h ASP 59 Ca -0.00 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.33 2jwk h ASP 59 Cb 0.80 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 2jwk h ASP 59 CO 0.05 0.70 -1.60 0.11 -1.61 0.00 0.00 179.24 176.89 2jwk h LYS 60 N 0.00 0.21 -3.78 0.28 1.57 -1.26 -3.43 116.57 110.17 2jwk h LYS 60 Ca -0.01 -0.36 -0.57 0.00 -1.87 0.00 0.00 60.65 57.83 2jwk h LYS 60 Cb 1.55 0.14 -0.40 0.00 0.08 0.00 0.00 32.23 33.60 2jwk h LYS 60 CO 0.09 1.04 -0.76 -0.51 -0.57 0.00 0.00 179.45 178.74 2jwk s ASP 61 N -6.86 3.67 0.00 0.86 1.01 -0.17 -5.00 116.67 110.18 2jwk s ASP 61 Ca -0.10 -1.30 0.05 0.00 0.71 0.00 0.00 52.55 51.91 2jwk s ASP 61 Cb 0.07 -0.88 0.22 0.00 1.01 0.00 0.00 42.92 43.33 2jwk s ASP 61 CO 0.84 -0.34 1.16 0.59 0.21 0.00 0.00 175.17 177.62 2jwk n ASN 62 N 4.85 0.56 -0.13 0.27 4.13 -1.21 -3.54 115.26 120.19 2jwk n ASN 62 Ca -0.06 -1.93 0.04 0.00 1.68 0.00 0.00 54.58 54.31 2jwk n ASN 62 Cb 0.44 -0.07 0.06 0.00 -1.54 0.00 0.00 39.78 38.67 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 -0.22 1.50 -4.62 6.41 3.02 -1.26 -5.04 115.26 115.03 2jwk n ASN 63 Ca 0.05 -2.34 -0.43 0.00 -0.03 0.00 0.00 54.58 51.84 2jwk n ASN 63 Cb 0.10 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.47 3.55 0.08 3.41 2.01 -1.23 -4.62 115.64 117.38 2jwk s THR 64 Ca 0.13 0.61 -0.32 0.00 0.31 0.00 0.00 61.69 62.43 2jwk s THR 64 Cb 0.12 -3.60 -0.11 0.00 0.01 0.00 0.00 72.50 68.92 2jwk s THR 64 CO 0.01 -0.28 1.83 -0.11 -0.69 0.00 0.00 174.62 175.38 2jwk n LEU 65 N 9.02 3.85 -4.41 4.42 7.94 -1.26 -4.82 117.00 131.74 2jwk n LEU 65 Ca 0.21 0.99 -0.33 0.00 -1.11 0.00 0.00 56.01 55.76 2jwk n LEU 65 Cb 0.45 -1.50 -0.14 0.00 0.53 0.00 0.00 43.42 42.77 2jwk n LEU 65 CO 0.66 0.09 -0.43 -0.36 -1.11 0.00 0.00 177.39 176.24 2jwk s PHE 66 N 2.95 2.84 -0.00 1.96 0.08 -1.26 -0.80 117.98 123.75 2jwk s PHE 66 Ca 0.84 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 57.41 2jwk s PHE 66 Cb -0.53 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 2jwk s PHE 66 CO 0.40 -0.11 -0.06 -0.48 -0.10 0.00 0.00 175.22 174.87 2jwk s LEU 67 N 0.18 2.02 -0.03 -0.37 0.05 -0.92 -5.00 118.68 114.61 2jwk s LEU 67 Ca -0.06 -0.12 0.05 0.00 0.05 0.00 0.00 54.13 54.04 2jwk s LEU 67 Cb -0.15 -0.32 -0.01 0.00 -2.05 0.00 0.00 46.19 43.67 2jwk s LEU 67 CO 0.05 0.07 -0.17 0.54 -0.55 0.00 0.00 176.35 176.29 2jwk s VAL 68 N -0.17 1.36 0.01 1.48 0.11 -1.26 -1.78 120.40 120.17 2jwk s VAL 68 Ca 0.02 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.37 2jwk s VAL 68 Cb -0.03 -1.16 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 2jwk s VAL 68 CO -0.00 0.39 -0.01 -0.83 -3.33 0.00 0.00 175.10 171.32 2jwk s GLY 69 N -0.10 0.18 0.19 6.54 0.00 -0.64 -5.00 107.32 108.48 2jwk s GLY 69 Ca -0.00 -0.43 0.11 0.00 0.00 0.00 0.00 44.72 44.40 2jwk s GLY 69 CO 0.01 -0.49 -0.22 -0.32 0.00 0.00 0.00 173.10 172.08 2jwk s GLY 70 N -1.15 1.63 0.73 0.20 0.00 -1.26 -0.31 107.32 107.15 2jwk s GLY 70 Ca -0.13 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 42.87 2jwk s GLY 70 CO -0.01 -1.64 1.11 0.00 0.00 0.00 0.00 173.10 172.56 2jwk s ALA 71 N -1.78 2.81 0.45 3.20 0.00 -0.91 -4.93 121.76 120.60 2jwk s ALA 71 Ca 0.20 -0.36 0.14 0.00 0.00 0.00 0.00 51.96 51.94 2jwk s ALA 71 Cb -0.07 -3.03 1.07 0.00 0.00 0.00 0.00 23.12 21.09 2jwk s ALA 71 CO 0.09 -1.25 2.03 0.87 0.00 0.00 0.00 175.76 177.50 2jwk h LYS 72 N -0.74 0.32 -0.00 0.00 6.56 -1.97 -0.73 116.57 120.01 2jwk h LYS 72 Ca -0.45 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 2jwk h LYS 72 Cb 1.26 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2jwk h LYS 72 CO 0.64 0.21 -0.01 0.39 -2.06 0.00 0.00 179.45 178.61 2jwk n GLU 73 N -4.47 0.31 -3.09 3.15 1.02 -1.26 -4.77 120.64 111.53 2jwk n GLU 73 Ca 0.06 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.79 2jwk n GLU 73 Cb 0.29 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.70 5.05 0.66 2.62 1.01 -0.28 -5.00 120.40 121.75 2jwk s VAL 74 Ca 0.24 1.33 -0.14 0.00 0.00 0.00 0.00 61.98 63.42 2jwk s VAL 74 Cb 0.20 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2jwk s VAL 74 CO 0.49 0.21 1.08 -2.16 0.00 0.00 0.00 175.10 174.72 2jwk s PRO 75 N 1.12 2.95 0.30 2.72 0.04 -1.26 -4.81 135.00 136.05 2jwk s PRO 75 Ca 0.34 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.59 2jwk s PRO 75 Cb -0.17 -1.98 0.47 0.00 0.04 0.00 0.00 34.50 32.86 2jwk s PRO 75 CO 0.15 -1.11 1.85 -0.92 0.04 0.00 0.00 177.00 177.01 2jwk h TYR 76 N -0.12 0.76 -0.76 0.56 3.20 -1.97 -2.04 116.97 116.60 2jwk h TYR 76 Ca -0.46 -0.07 0.09 0.00 3.14 0.00 0.00 58.73 61.43 2jwk h TYR 76 Cb 1.23 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 2jwk h TYR 76 CO 0.58 0.65 0.50 0.93 -1.64 0.00 0.00 178.16 179.18 2jwk h GLU 77 N 0.71 0.70 -0.26 1.82 4.39 -2.00 -0.29 114.58 119.66 2jwk h GLU 77 Ca 0.16 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.66 2jwk h GLU 77 Cb 0.29 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2jwk h GLU 77 CO 0.00 0.46 -0.46 0.93 -1.16 0.00 0.00 179.01 178.79 2jwk h GLU 78 N 0.72 0.67 -0.86 2.33 3.07 -1.75 -2.35 114.58 116.41 2jwk h GLU 78 Ca 0.35 -0.37 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2jwk h GLU 78 Cb 0.40 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.29 2jwk h GLU 78 CO -0.13 0.98 0.48 0.28 -1.40 0.00 0.00 179.01 179.23 2jwk h VAL 79 N 0.53 1.25 -0.30 3.13 2.07 -0.84 -1.43 116.25 120.66 2jwk h VAL 79 Ca 0.03 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2jwk h VAL 79 Cb 1.00 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2jwk h VAL 79 CO 0.09 0.27 0.18 0.40 0.02 0.00 0.00 177.57 178.54 2jwk h ILE 80 N 1.20 1.10 -0.64 4.57 1.08 -0.99 -1.84 117.51 122.00 2jwk h ILE 80 Ca 0.31 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.62 2jwk h ILE 80 Cb 0.01 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 34.42 2jwk h ILE 80 CO -0.05 0.10 0.30 0.50 -0.69 0.00 0.00 178.15 178.31 2jwk h LYS 81 N 0.38 0.52 -0.31 2.37 3.64 -0.87 0.67 116.57 122.97 2jwk h LYS 81 Ca 0.11 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2jwk h LYS 81 Cb 0.00 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2jwk h LYS 81 CO -0.02 0.34 0.19 0.00 -2.27 0.00 0.00 179.45 177.69 2jwk h ALA 82 N 1.39 0.39 -0.64 5.00 0.00 -0.89 -1.05 119.26 123.47 2jwk h ALA 82 Ca 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2jwk h ALA 82 Cb 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jwk h ALA 82 CO -0.25 -0.17 0.35 -0.07 0.00 0.00 0.00 179.25 179.12 2jwk h LEU 83 N 0.39 0.77 -0.81 0.00 3.38 -0.67 -1.87 115.31 116.51 2jwk h LEU 83 Ca 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2jwk h LEU 83 Cb -0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2jwk h LEU 83 CO -0.04 0.62 0.45 0.78 0.09 0.00 0.00 178.44 180.33 2jwk h ASN 84 N 0.88 1.01 -0.71 -0.43 4.21 -0.05 -1.79 115.58 118.71 2jwk h ASN 84 Ca 0.23 -0.10 -0.07 0.00 1.21 0.00 0.00 56.30 57.57 2jwk h ASN 84 Cb 0.01 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 36.93 2jwk h ASN 84 CO -0.04 0.81 0.16 -0.07 -1.29 0.00 0.00 177.43 177.00 2jwk h LEU 85 N 1.12 1.09 -0.60 1.61 3.38 -0.41 -0.60 115.31 120.89 2jwk h LEU 85 Ca 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 85 Cb 0.02 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2jwk h LEU 85 CO -0.05 1.05 0.22 -0.07 0.09 0.00 0.00 178.44 179.68 2jwk h LEU 86 N 1.08 0.84 -0.63 1.67 -0.00 -1.14 -2.22 115.31 114.91 2jwk h LEU 86 Ca 0.22 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 2jwk h LEU 86 Cb 0.39 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 2jwk h LEU 86 CO 0.00 0.80 0.25 -0.74 -0.00 0.00 0.00 178.44 178.75 2jwk h HIS 87 N 0.84 0.96 -0.90 1.13 2.76 -0.69 0.21 115.15 119.47 2jwk h HIS 87 Ca 0.20 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2jwk h HIS 87 Cb 0.23 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 28.85 2jwk h HIS 87 CO 0.01 0.76 0.59 1.25 -1.30 0.00 0.00 177.93 179.25 2jwk h LEU 88 N 0.88 0.96 -1.52 0.26 5.85 -0.75 -1.30 115.31 119.70 2jwk h LEU 88 Ca 0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2jwk h LEU 88 Cb 0.21 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2jwk h LEU 88 CO -0.02 0.66 0.00 0.00 -0.34 0.00 0.00 178.44 178.74 2jwk n ALA 89 N -2.40 2.49 -3.43 1.25 0.00 -0.87 -4.93 120.51 112.62 2jwk n ALA 89 Ca 0.12 -0.72 -0.19 0.00 0.00 0.00 0.00 53.44 52.65 2jwk n ALA 89 Cb 0.11 -0.98 0.08 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 1.07 -0.38 0.11 0.00 0.00 -0.49 -4.93 105.19 100.58 2jwk n GLY 90 Ca 0.13 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.40 1.31 -0.90 -0.61 5.41 0.70 -5.01 119.36 115.86 2jwk n ILE 91 Ca -0.12 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 63.06 2jwk n ILE 91 Cb 0.60 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72