#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwk h SER 20 N 0.00 0.74 -3.38 1.61 0.02 -2.03 -3.45 113.55 107.06 2jwk h SER 20 Ca 0.00 -0.93 -0.41 0.00 -0.84 0.00 0.00 61.79 59.61 2jwk h SER 20 Cb 0.00 -0.24 -0.35 0.00 0.14 0.00 0.00 62.40 61.94 2jwk h SER 20 CO 0.00 1.73 -0.77 -0.69 -1.14 0.00 0.00 176.83 175.96 2jwk s VAL 21 N -2.58 0.44 0.18 2.27 1.01 -1.26 -5.03 120.40 115.43 2jwk s VAL 21 Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2jwk s VAL 21 Cb 0.04 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.93 2jwk s VAL 21 CO 0.90 0.23 0.07 -2.65 0.00 0.00 0.00 175.10 173.66 2jwk n PRO 22 N 4.48 0.08 -3.73 2.72 -0.02 -1.26 -2.79 135.00 134.47 2jwk n PRO 22 Ca -0.18 -0.12 -0.37 0.00 -2.02 0.00 0.00 63.50 60.80 2jwk n PRO 22 Cb 0.50 -0.27 -0.12 0.00 -0.02 0.00 0.00 33.50 33.59 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 -0.74 4.34 -0.13 -1.45 1.01 -0.35 -3.03 120.40 120.03 2jwk s VAL 23 Ca 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2jwk s VAL 23 Cb -0.01 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 2jwk s VAL 23 CO 0.05 0.23 -0.15 -0.63 0.00 0.00 0.00 175.10 174.59 2jwk s ILE 24 N 1.60 2.76 -0.20 2.22 1.09 0.05 -2.02 121.20 126.70 2jwk s ILE 24 Ca 0.05 -0.76 -0.02 0.00 -1.10 0.00 0.00 60.65 58.83 2jwk s ILE 24 Cb -0.16 -2.15 -0.00 0.00 -1.06 0.00 0.00 42.46 39.09 2jwk s ILE 24 CO 0.04 0.53 -0.10 -0.22 -0.10 0.00 0.00 174.94 175.09 2jwk s LEU 25 N 0.53 2.67 -0.17 2.97 0.20 -0.68 0.52 118.68 124.72 2jwk s LEU 25 Ca -0.10 -0.45 -0.03 0.00 0.69 0.00 0.00 54.13 54.24 2jwk s LEU 25 Cb -0.16 -1.65 -0.02 0.00 -0.43 0.00 0.00 46.19 43.92 2jwk s LEU 25 CO 0.04 0.01 -0.05 -0.70 -0.29 0.00 0.00 176.35 175.36 2jwk s GLU 26 N 1.27 3.55 -0.18 1.98 -6.30 0.22 -1.78 118.70 117.47 2jwk s GLU 26 Ca 0.03 -0.57 -0.25 0.00 -2.50 0.00 0.00 54.97 51.68 2jwk s GLU 26 Cb -0.14 -2.91 -0.01 0.00 0.00 0.00 0.00 34.13 31.07 2jwk s GLU 26 CO -0.04 0.11 0.81 0.08 0.02 0.00 0.00 175.26 176.24 2jwk s VAL 27 N 0.68 4.89 -0.06 3.70 1.01 -0.17 -0.61 120.40 129.84 2jwk s VAL 27 Ca -0.03 1.59 0.17 0.00 0.00 0.00 0.00 61.98 63.71 2jwk s VAL 27 Cb -0.15 -4.12 -0.26 0.00 0.00 0.00 0.00 36.38 31.85 2jwk s VAL 27 CO 0.02 0.03 0.31 0.00 0.00 0.00 0.00 175.10 175.46 2jwk n ALA 28 N 5.26 2.40 -2.00 5.51 0.00 -0.88 -2.58 120.51 128.21 2jwk n ALA 28 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2jwk n ALA 28 Cb 0.49 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.60 -0.18 3.12 0.00 0.00 -1.21 -4.78 105.19 103.74 2jwk n GLY 29 Ca -0.09 0.57 -0.37 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 2.89 3.53 0.00 -0.61 -1.09 -1.26 -4.60 121.20 120.06 2jwk s ILE 30 Ca 0.00 -2.42 0.00 0.00 -2.23 0.00 0.00 60.65 56.00 2jwk s ILE 30 Cb 0.00 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 2jwk s ILE 30 CO 0.00 -0.78 0.00 0.61 -1.23 0.00 0.00 174.94 173.54 2jwk n GLY 31 N 4.14 1.16 3.59 6.18 0.00 -1.26 -5.04 105.19 113.96 2jwk n GLY 31 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.39 3.62 0.04 1.61 3.01 -1.26 -4.06 119.74 122.30 2jwk s LYS 32 Ca 0.00 -0.44 -0.01 0.00 -1.01 0.00 0.00 55.97 54.52 2jwk s LYS 32 Cb 0.00 -2.98 -0.04 0.00 -1.01 0.00 0.00 37.83 33.80 2jwk s LYS 32 CO 0.00 0.36 -0.03 0.71 0.51 0.00 0.00 175.35 176.90 2jwk s TYR 33 N 0.07 0.47 0.01 3.18 2.02 -0.81 -2.08 117.35 120.21 2jwk s TYR 33 Ca 0.02 -0.96 0.06 0.00 -0.37 0.00 0.00 57.07 55.82 2jwk s TYR 33 Cb -0.13 -0.35 -0.02 0.00 -0.40 0.00 0.00 41.96 41.06 2jwk s TYR 33 CO 0.02 -0.34 -0.19 0.00 -1.57 0.00 0.00 175.55 173.47 2jwk s ALA 34 N -3.43 1.59 -0.02 3.71 0.00 0.22 -1.65 121.76 122.17 2jwk s ALA 34 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2jwk s ALA 34 Cb 0.04 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.80 2jwk s ALA 34 CO -0.08 0.37 -0.06 0.96 0.00 0.00 0.00 175.76 176.95 2jwk s ILE 35 N -0.57 0.58 -0.27 0.00 -4.36 0.50 0.72 121.20 117.80 2jwk s ILE 35 Ca 0.07 -0.25 -0.04 0.00 -0.26 0.00 0.00 60.65 60.17 2jwk s ILE 35 Cb -0.08 -0.53 0.01 0.00 1.25 0.00 0.00 42.46 43.12 2jwk s ILE 35 CO 0.00 0.19 0.01 -0.44 0.24 0.00 0.00 174.94 174.95 2jwk s SER 36 N 0.25 4.73 -0.35 4.36 0.01 0.18 0.65 113.70 123.54 2jwk s SER 36 Ca -0.03 -0.74 -0.05 0.00 1.31 0.00 0.00 55.95 56.44 2jwk s SER 36 Cb -0.08 -1.78 0.05 0.00 0.21 0.00 0.00 66.02 64.43 2jwk s SER 36 CO 0.00 -0.15 0.11 -0.63 0.41 0.00 0.00 173.24 172.98 2jwk s ILE 37 N 1.43 3.58 -1.48 1.44 1.01 0.27 -0.77 121.20 126.67 2jwk s ILE 37 Ca 0.02 -1.33 -0.03 0.00 0.00 0.00 0.00 60.65 59.31 2jwk s ILE 37 Cb -0.17 -3.10 0.03 0.00 0.01 0.00 0.00 42.46 39.23 2jwk s ILE 37 CO -0.01 -0.26 0.40 0.61 0.00 0.00 0.00 174.94 175.69 2jwk n GLY 38 N 4.75 -0.24 0.94 6.18 0.00 -1.12 -1.11 105.19 114.59 2jwk n GLY 38 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.99 3.09 3.72 -0.02 0.00 -1.26 -4.74 105.19 103.99 2jwk n GLY 39 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.32 4.31 -0.12 1.61 2.56 -0.27 -5.07 118.70 121.41 2jwk s GLU 40 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 54.97 55.31 2jwk s GLU 40 Cb 0.00 -3.44 -0.03 0.00 2.00 0.00 0.00 34.13 32.65 2jwk s GLU 40 CO 0.00 0.15 -0.00 0.50 -0.56 0.00 0.00 175.26 175.35 2jwk s ARG 41 N 0.66 3.32 -0.13 4.30 3.00 -1.26 0.93 118.95 129.78 2jwk s ARG 41 Ca 0.24 -0.43 0.02 0.00 -1.00 0.00 0.00 55.73 54.56 2jwk s ARG 41 Cb -0.15 -2.89 -0.00 0.00 0.00 0.00 0.00 34.95 31.92 2jwk s ARG 41 CO 0.09 0.51 -0.20 -0.65 0.00 0.00 0.00 175.30 175.05 2jwk s GLN 42 N -0.35 3.14 0.22 5.12 -0.21 0.21 -4.96 119.66 122.82 2jwk s GLN 42 Ca 0.07 -0.81 0.11 0.00 0.02 0.00 0.00 55.36 54.75 2jwk s GLN 42 Cb -0.12 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 2jwk s GLN 42 CO 0.02 0.11 -0.18 -2.00 -2.12 0.00 0.00 175.29 171.12 2jwk s GLU 43 N 0.54 1.74 0.00 2.91 2.12 -1.26 -0.37 118.70 124.39 2jwk s GLU 43 Ca -0.12 -1.52 0.00 0.00 0.36 0.00 0.00 54.97 53.69 2jwk s GLU 43 Cb -0.17 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.30 2jwk s GLU 43 CO 0.04 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 2jwk n GLY 44 N -0.09 0.50 3.86 -1.50 0.00 -1.19 -5.02 105.19 101.75 2jwk n GLY 44 Ca -0.10 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 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 4.11 0.59 0.99 1.43 -0.66 -4.91 118.68 120.23 2jwk s LEU 45 Ca 0.00 1.09 -0.00 0.00 -1.03 0.00 0.00 54.13 54.18 2jwk s LEU 45 Cb 0.00 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.40 2jwk s LEU 45 CO 0.00 -0.14 0.84 0.42 0.23 0.00 0.00 176.35 177.69 2jwk s THR 46 N -1.91 2.55 0.08 5.49 -4.23 -1.26 -1.92 115.64 114.43 2jwk s THR 46 Ca 0.51 -0.59 -0.20 0.00 -1.18 0.00 0.00 61.69 60.23 2jwk s THR 46 Cb -0.11 -2.96 -0.10 0.00 1.34 0.00 0.00 72.50 70.67 2jwk s THR 46 CO 0.20 0.00 1.55 1.05 -0.54 0.00 0.00 174.62 176.88 2jwk h GLU 47 N -0.10 0.31 -0.72 3.99 4.11 -1.99 0.71 114.58 120.89 2jwk h GLU 47 Ca -0.42 -0.08 -0.04 0.00 0.07 0.00 0.00 59.36 58.89 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 0.53 0.46 0.29 0.93 0.07 0.00 0.00 179.01 181.29 2jwk h GLU 48 N 0.11 1.06 -0.25 1.06 4.39 -1.95 -1.96 114.58 117.04 2jwk h GLU 48 Ca 0.06 -0.18 -0.19 0.00 0.34 0.00 0.00 59.36 59.39 2jwk h GLU 48 Cb 0.30 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2jwk h GLU 48 CO 0.00 0.86 -0.58 1.98 -1.16 0.00 0.00 179.01 180.11 2jwk h MET 49 N 1.04 0.79 -0.23 2.33 4.05 -1.92 -2.52 114.93 118.47 2jwk h MET 49 Ca 0.24 -0.52 -0.03 0.00 -0.28 0.00 0.00 59.70 59.11 2jwk h MET 49 Cb 0.19 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2jwk h MET 49 CO -0.02 1.15 0.00 -0.24 0.23 0.00 0.00 176.91 178.03 2jwk h VAL 50 N 0.60 1.15 0.02 -5.77 3.04 -0.61 -2.22 116.25 112.45 2jwk h VAL 50 Ca 0.00 -0.56 -0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2jwk h VAL 50 Cb 1.18 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2jwk h VAL 50 CO 0.12 0.19 -0.01 0.74 -1.01 0.00 0.00 177.57 177.60 2jwk h THR 51 N 0.34 1.13 -0.38 3.17 2.02 -1.18 -0.35 112.91 117.66 2jwk h THR 51 Ca 0.08 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 66.90 2jwk h THR 51 Cb 0.22 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 2jwk h THR 51 CO 0.00 0.11 -0.22 -0.61 0.37 0.00 0.00 175.52 175.18 2jwk h GLN 52 N -0.21 -0.15 -0.13 6.66 4.15 -0.99 0.29 115.11 124.72 2jwk h GLN 52 Ca -0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2jwk h GLN 52 Cb 0.20 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2jwk h GLN 52 CO 0.00 -0.10 0.03 -0.07 -1.93 0.00 0.00 178.83 176.76 2jwk h LEU 53 N -0.16 0.21 -0.77 -2.39 3.38 -1.37 -0.76 115.31 113.45 2jwk h LEU 53 Ca 0.18 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 53 Cb 0.45 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2jwk h LEU 53 CO -0.47 0.40 0.49 0.28 0.09 0.00 0.00 178.44 179.22 2jwk h SER 54 N 0.01 0.80 -0.33 -0.43 0.02 -0.59 -0.63 113.55 112.40 2jwk h SER 54 Ca 0.04 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2jwk h SER 54 Cb 0.28 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2jwk h SER 54 CO 0.00 0.56 -0.02 0.03 -1.14 0.00 0.00 176.83 176.25 2jwk h ARG 55 N 0.95 0.60 -0.70 3.45 2.47 -0.34 -1.72 114.38 119.09 2jwk h ARG 55 Ca 0.31 -0.20 -0.05 0.00 -1.26 0.00 0.00 59.98 58.77 2jwk h ARG 55 Cb 0.01 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 2jwk h ARG 55 CO -0.11 0.74 0.24 0.37 0.56 0.00 0.00 179.97 181.77 2jwk h GLN 56 N 0.40 1.07 -0.39 0.04 4.15 -0.78 -0.98 115.11 118.62 2jwk h GLN 56 Ca 0.09 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.16 2jwk h GLN 56 Cb 0.49 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2jwk h GLN 56 CO 0.02 0.91 -0.29 1.49 -1.93 0.00 0.00 178.83 179.03 2jwk h GLU 57 N 1.01 0.83 -0.03 1.69 4.57 -1.06 -2.34 114.58 119.26 2jwk h GLU 57 Ca 0.23 -0.38 -0.12 0.00 -1.18 0.00 0.00 59.36 57.91 2jwk h GLU 57 Cb 0.27 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2jwk h GLU 57 CO -0.01 1.02 -0.54 0.35 -1.18 0.00 0.00 179.01 178.65 2jwk h PHE 58 N 0.71 0.10 0.00 0.92 3.57 -1.09 -1.13 116.94 120.02 2jwk h PHE 58 Ca 0.08 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 2jwk h PHE 58 Cb 0.84 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2jwk h PHE 58 CO 0.05 0.60 -0.69 0.22 -2.23 0.00 0.00 178.31 176.25 2jwk h ASP 59 N 0.06 0.00 0.59 0.41 1.82 -1.04 -3.22 116.42 115.03 2jwk h ASP 59 Ca -0.00 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.36 2jwk h ASP 59 Cb 0.97 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 2jwk h ASP 59 CO 0.07 0.69 -1.41 0.11 -1.61 0.00 0.00 179.24 177.10 2jwk h LYS 60 N 0.00 0.17 -3.97 0.28 1.57 -1.32 -3.43 116.57 109.87 2jwk h LYS 60 Ca -0.01 -0.29 -0.57 0.00 -1.87 0.00 0.00 60.65 57.91 2jwk h LYS 60 Cb 1.39 0.11 -0.39 0.00 0.08 0.00 0.00 32.23 33.42 2jwk h LYS 60 CO 0.09 1.03 -0.77 0.34 -0.57 0.00 0.00 179.45 179.56 2jwk s ASP 61 N -6.84 3.50 0.00 0.86 -1.08 -0.44 -5.00 116.67 107.68 2jwk s ASP 61 Ca -0.06 -1.08 0.16 0.00 -0.52 0.00 0.00 52.55 51.05 2jwk s ASP 61 Cb 0.08 -0.93 0.86 0.00 -1.46 0.00 0.00 42.92 41.47 2jwk s ASP 61 CO 0.85 -0.28 1.57 0.59 0.52 0.00 0.00 175.17 178.41 2jwk n ASN 62 N 4.83 0.35 -0.15 -0.34 4.13 -1.22 -3.47 115.26 119.39 2jwk n ASN 62 Ca -0.10 -1.57 0.05 0.00 1.68 0.00 0.00 54.58 54.64 2jwk n ASN 62 Cb 0.45 -0.03 0.07 0.00 -1.54 0.00 0.00 39.78 38.74 2jwk n ASN 62 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2jwk n ASN 63 N -0.51 1.59 -4.62 6.41 6.94 -1.26 -5.04 115.26 118.76 2jwk n ASN 63 Ca 0.12 -2.50 -0.43 0.00 -0.02 0.00 0.00 54.58 51.76 2jwk n ASN 63 Cb 0.11 -0.27 -0.03 0.00 -2.36 0.00 0.00 39.78 37.23 2jwk n ASN 63 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2jwk s THR 64 N -1.69 3.49 0.07 5.53 -4.23 -1.23 -4.94 115.64 112.65 2jwk s THR 64 Ca 0.17 0.54 -0.31 0.00 -1.18 0.00 0.00 61.69 60.92 2jwk s THR 64 Cb 0.15 -3.53 -0.09 0.00 1.34 0.00 0.00 72.50 70.37 2jwk s THR 64 CO 0.02 -0.24 1.84 -0.22 -0.54 0.00 0.00 174.62 175.48 2jwk s LEU 65 N 5.83 4.40 -0.14 4.79 2.96 -1.26 -4.88 118.68 130.39 2jwk s LEU 65 Ca 0.79 2.66 -0.02 0.00 -0.22 0.00 0.00 54.13 57.34 2jwk s LEU 65 Cb -0.27 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.84 2jwk s LEU 65 CO 0.32 -1.00 -0.08 -0.36 -1.32 0.00 0.00 176.35 173.91 2jwk s PHE 66 N 3.41 2.94 0.00 5.38 0.08 -1.26 -1.22 117.98 127.31 2jwk s PHE 66 Ca 0.82 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.46 2jwk s PHE 66 Cb -0.43 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.11 2jwk s PHE 66 CO 0.37 -0.09 -0.03 -0.48 -0.10 0.00 0.00 175.22 174.89 2jwk s LEU 67 N 0.30 2.04 -0.08 -0.37 0.05 -0.86 -5.01 118.68 114.76 2jwk s LEU 67 Ca -0.06 -0.11 0.04 0.00 0.05 0.00 0.00 54.13 54.04 2jwk s LEU 67 Cb -0.15 -0.15 0.00 0.00 -2.05 0.00 0.00 46.19 43.85 2jwk s LEU 67 CO 0.04 0.00 -0.19 -0.69 -0.55 0.00 0.00 176.35 174.96 2jwk s VAL 68 N -0.24 1.65 0.02 1.48 1.01 -1.26 -1.68 120.40 121.38 2jwk s VAL 68 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2jwk s VAL 68 Cb -0.02 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2jwk s VAL 68 CO -0.00 0.47 -0.04 -0.83 0.00 0.00 0.00 175.10 174.70 2jwk s GLY 69 N 0.35 0.25 0.16 4.51 0.00 -0.74 -5.00 107.32 106.86 2jwk s GLY 69 Ca -0.14 -0.47 0.11 0.00 0.00 0.00 0.00 44.72 44.22 2jwk s GLY 69 CO 0.06 -0.51 -0.24 -0.32 0.00 0.00 0.00 173.10 172.09 2jwk s GLY 70 N -1.04 1.58 0.77 0.20 0.00 -1.26 -1.00 107.32 106.57 2jwk s GLY 70 Ca -0.10 -1.53 -0.12 0.00 0.00 0.00 0.00 44.72 42.98 2jwk s GLY 70 CO -0.00 -1.55 1.10 0.00 0.00 0.00 0.00 173.10 172.65 2jwk s ALA 71 N -1.52 2.46 0.45 3.20 0.00 -1.07 -4.92 121.76 120.37 2jwk s ALA 71 Ca 0.17 -0.29 0.14 0.00 0.00 0.00 0.00 51.96 51.98 2jwk s ALA 71 Cb -0.08 -3.07 1.05 0.00 0.00 0.00 0.00 23.12 21.02 2jwk s ALA 71 CO 0.08 -1.55 2.01 0.87 0.00 0.00 0.00 175.76 177.17 2jwk h LYS 72 N -0.96 0.35 -0.00 0.00 6.56 -1.98 -0.41 116.57 120.13 2jwk h LYS 72 Ca -0.46 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 2jwk h LYS 72 Cb 1.27 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2jwk h LYS 72 CO 0.61 0.23 -0.04 0.39 -2.06 0.00 0.00 179.45 178.58 2jwk n GLU 73 N -4.47 0.46 -3.22 3.15 4.71 -1.26 -4.80 120.64 115.21 2jwk n GLU 73 Ca 0.07 -0.06 -0.39 0.00 -0.01 0.00 0.00 57.16 56.77 2jwk n GLU 73 Cb 0.31 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.18 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 -2.58 5.08 0.63 2.62 1.01 -0.17 -4.98 120.40 122.01 2jwk s VAL 74 Ca 0.27 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 2jwk s VAL 74 Cb 0.20 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2jwk s VAL 74 CO 0.48 0.34 1.07 -2.16 0.00 0.00 0.00 175.10 174.83 2jwk s PRO 75 N 0.41 3.10 0.32 2.72 0.04 -1.26 -4.80 135.00 135.54 2jwk s PRO 75 Ca 0.30 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.61 2jwk s PRO 75 Cb -0.17 -2.00 0.56 0.00 0.04 0.00 0.00 34.50 32.93 2jwk s PRO 75 CO 0.14 -0.99 1.83 -0.92 0.04 0.00 0.00 177.00 177.10 2jwk h TYR 76 N 0.16 0.51 -0.81 0.56 3.20 -1.97 -2.39 116.97 116.23 2jwk h TYR 76 Ca -0.46 -0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.42 2jwk h TYR 76 Cb 1.23 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.30 2jwk h TYR 76 CO 0.58 0.57 0.53 0.93 -1.64 0.00 0.00 178.16 179.13 2jwk h GLU 77 N 0.45 0.79 -0.21 1.82 5.08 -2.00 -0.54 114.58 119.97 2jwk h GLU 77 Ca 0.09 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 2jwk h GLU 77 Cb 0.45 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2jwk h GLU 77 CO 0.02 0.52 -0.48 0.93 -1.00 0.00 0.00 179.01 179.00 2jwk h GLU 78 N 0.81 0.56 -0.85 2.33 3.07 -1.81 -2.44 114.58 116.26 2jwk h GLU 78 Ca 0.36 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 2jwk h GLU 78 Cb 0.35 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 2jwk h GLU 78 CO -0.14 0.92 0.48 0.28 -1.40 0.00 0.00 179.01 179.16 2jwk h VAL 79 N 0.45 1.24 -0.30 3.13 2.07 -0.96 -1.76 116.25 120.12 2jwk h VAL 79 Ca 0.02 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2jwk h VAL 79 Cb 1.01 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2jwk h VAL 79 CO 0.09 0.27 0.19 0.40 0.02 0.00 0.00 177.57 178.54 2jwk h ILE 80 N 1.18 1.09 -0.63 4.57 1.08 -0.99 -2.10 117.51 121.71 2jwk h ILE 80 Ca 0.30 -0.19 0.10 0.00 -0.39 0.00 0.00 64.86 64.68 2jwk h ILE 80 Cb -0.00 0.68 -0.07 0.00 -3.07 0.00 0.00 36.82 34.35 2jwk h ILE 80 CO -0.05 0.09 0.24 0.11 -0.69 0.00 0.00 178.15 177.85 2jwk h LYS 81 N 0.40 0.41 -0.14 2.37 1.79 -0.91 0.28 116.57 120.77 2jwk h LYS 81 Ca 0.11 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2jwk h LYS 81 Cb -0.02 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 2jwk h LYS 81 CO -0.02 0.27 0.05 0.00 -1.08 0.00 0.00 179.45 178.66 2jwk h ALA 82 N 1.43 0.15 -0.62 3.86 0.00 -0.95 0.89 119.26 124.03 2jwk h ALA 82 Ca 0.32 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2jwk h ALA 82 Cb 0.40 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2jwk h ALA 82 CO -0.32 -0.40 0.31 -0.07 0.00 0.00 0.00 179.25 178.78 2jwk h LEU 83 N 0.11 0.77 -0.67 0.00 3.38 -0.72 -2.02 115.31 116.17 2jwk h LEU 83 Ca 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jwk h LEU 83 Cb 0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2jwk h LEU 83 CO -0.07 0.64 0.41 -1.13 0.09 0.00 0.00 178.44 178.38 2jwk h ASN 84 N 0.86 0.81 -0.57 -0.43 -0.73 0.50 -1.59 115.58 114.43 2jwk h ASN 84 Ca 0.22 -0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.25 2jwk h ASN 84 Cb 0.06 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 2jwk h ASN 84 CO -0.03 0.63 0.05 -0.07 -0.37 0.00 0.00 177.43 177.64 2jwk h LEU 85 N 0.92 0.97 -0.65 0.34 3.38 -0.17 -1.49 115.31 118.61 2jwk h LEU 85 Ca 0.24 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jwk h LEU 85 Cb -0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2jwk h LEU 85 CO -0.05 0.99 0.25 -0.07 0.09 0.00 0.00 178.44 179.65 2jwk h LEU 86 N 0.93 0.90 -0.51 1.67 -0.00 -1.06 -2.54 115.31 114.70 2jwk h LEU 86 Ca 0.18 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2jwk h LEU 86 Cb 0.47 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2jwk h LEU 86 CO 0.02 0.83 0.21 -0.74 -0.00 0.00 0.00 178.44 178.76 2jwk h HIS 87 N 0.91 0.78 -0.90 1.13 2.76 -1.01 0.15 115.15 118.96 2jwk h HIS 87 Ca 0.21 -0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.40 2jwk h HIS 87 Cb 0.22 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 28.89 2jwk h HIS 87 CO 0.01 0.64 0.59 -0.07 -1.30 0.00 0.00 177.93 177.80 2jwk h LEU 88 N 0.69 0.88 -1.67 0.26 4.07 -0.98 -0.82 115.31 117.73 2jwk h LEU 88 Ca 0.17 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2jwk h LEU 88 Cb 0.19 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2jwk h LEU 88 CO -0.01 0.55 0.00 0.00 -1.08 0.00 0.00 178.44 177.89 2jwk n ALA 89 N -2.40 2.61 -3.51 1.53 0.00 -0.98 -4.93 120.51 112.83 2jwk n ALA 89 Ca 0.14 -0.77 -0.20 0.00 0.00 0.00 0.00 53.44 52.60 2jwk n ALA 89 Cb 0.24 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.78 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 0.97 -0.45 0.11 0.00 0.00 -0.31 -4.91 105.19 100.60 2jwk n GLY 90 Ca 0.14 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 -4.57 1.35 -1.50 -0.61 5.41 0.48 -5.02 119.36 114.89 2jwk n ILE 91 Ca -0.13 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 62.95 2jwk n ILE 91 Cb 0.61 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 2jwk n ILE 91 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84