#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 0.99 -3.32 1.61 0.02 -2.03 -3.41 113.55 107.41 2jwk h SER 20 Ca 0.00 -0.29 -0.67 0.00 -0.84 0.00 0.00 61.79 59.99 2jwk h SER 20 Cb 0.00 -0.26 -0.32 0.00 0.14 0.00 0.00 62.40 61.96 2jwk h SER 20 CO 0.00 1.04 -0.78 -0.69 -1.14 0.00 0.00 176.83 175.26 2jwk s VAL 21 N -5.08 2.76 1.05 2.27 1.01 -1.26 -5.12 120.40 116.03 2jwk s VAL 21 Ca -0.12 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 2jwk s VAL 21 Cb 0.13 -2.28 0.13 0.00 0.00 0.00 0.00 36.38 34.37 2jwk s VAL 21 CO 0.84 0.39 0.11 -2.65 0.00 0.00 0.00 175.10 173.80 2jwk n PRO 22 N 4.69 -1.98 -4.04 2.72 -0.02 -1.26 -4.19 135.00 130.93 2jwk n PRO 22 Ca -0.19 -0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 60.37 2jwk n PRO 22 Cb 0.49 -1.51 -0.14 0.00 -0.02 0.00 0.00 33.50 32.32 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 -2.11 3.16 -0.16 -1.45 1.01 0.10 -3.58 120.40 117.37 2jwk s VAL 23 Ca 0.42 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2jwk s VAL 23 Cb -0.07 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2jwk s VAL 23 CO 0.45 0.45 -0.08 -0.63 0.00 0.00 0.00 175.10 175.30 2jwk s ILE 24 N 1.31 3.40 -0.20 2.22 1.09 -0.05 -2.10 121.20 126.87 2jwk s ILE 24 Ca 0.04 -0.52 -0.02 0.00 -1.10 0.00 0.00 60.65 59.05 2jwk s ILE 24 Cb -0.14 -2.48 0.00 0.00 -1.06 0.00 0.00 42.46 38.78 2jwk s ILE 24 CO -0.04 0.49 -0.10 -0.22 -0.10 0.00 0.00 174.94 174.97 2jwk s LEU 25 N 0.66 2.61 -0.17 2.97 0.20 -0.64 0.53 118.68 124.84 2jwk s LEU 25 Ca -0.04 -0.48 -0.04 0.00 0.69 0.00 0.00 54.13 54.26 2jwk s LEU 25 Cb -0.15 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 2jwk s LEU 25 CO 0.02 -0.00 -0.04 -1.61 -0.29 0.00 0.00 176.35 174.44 2jwk s GLU 26 N 1.34 3.61 -0.24 1.98 2.02 0.17 -1.94 118.70 125.63 2jwk s GLU 26 Ca 0.04 -0.54 -0.25 0.00 0.02 0.00 0.00 54.97 54.25 2jwk s GLU 26 Cb -0.14 -2.94 -0.00 0.00 0.10 0.00 0.00 34.13 31.14 2jwk s GLU 26 CO -0.06 0.14 0.83 0.08 0.02 0.00 0.00 175.26 176.27 2jwk s VAL 27 N 0.62 4.83 -0.08 2.63 1.01 0.08 -0.79 120.40 128.71 2jwk s VAL 27 Ca -0.02 1.56 0.20 0.00 0.00 0.00 0.00 61.98 63.71 2jwk s VAL 27 Cb -0.14 -4.12 -0.30 0.00 0.00 0.00 0.00 36.38 31.82 2jwk s VAL 27 CO 0.02 -0.08 0.33 0.00 0.00 0.00 0.00 175.10 175.38 2jwk n ALA 28 N 6.01 2.39 -2.00 5.51 0.00 -0.90 -2.53 120.51 128.99 2jwk n ALA 28 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2jwk n ALA 28 Cb 0.48 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 1.48 -0.18 3.11 0.00 0.00 -1.21 -4.78 105.19 103.60 2jwk n GLY 29 Ca -0.12 0.58 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 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 2.86 3.24 0.00 -0.61 -1.09 -1.26 -4.59 121.20 119.75 2jwk s ILE 30 Ca 0.00 -2.13 0.00 0.00 -2.23 0.00 0.00 60.65 56.29 2jwk s ILE 30 Cb 0.00 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 2jwk s ILE 30 CO 0.00 -0.70 0.00 0.61 -1.23 0.00 0.00 174.94 173.62 2jwk n GLY 31 N 4.51 1.30 3.59 6.18 0.00 -1.26 -5.02 105.19 114.48 2jwk n GLY 31 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.14 3.89 0.05 1.61 1.02 -1.26 -3.99 119.74 120.92 2jwk s LYS 32 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.60 2jwk s LYS 32 Cb 0.00 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 2jwk s LYS 32 CO 0.00 0.23 -0.04 0.71 -0.92 0.00 0.00 175.35 175.33 2jwk s TYR 33 N 0.47 0.55 0.01 3.18 1.51 -0.84 -2.12 117.35 120.11 2jwk s TYR 33 Ca 0.02 -0.85 0.06 0.00 -1.01 0.00 0.00 57.07 55.29 2jwk s TYR 33 Cb -0.13 -0.37 -0.02 0.00 -0.11 0.00 0.00 41.96 41.33 2jwk s TYR 33 CO 0.01 -0.26 -0.19 0.00 -1.11 0.00 0.00 175.55 174.01 2jwk s ALA 34 N -2.99 1.59 -0.03 3.71 0.00 0.03 -1.81 121.76 122.26 2jwk s ALA 34 Ca 0.01 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2jwk s ALA 34 Cb 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2jwk s ALA 34 CO -0.06 0.37 -0.08 0.96 0.00 0.00 0.00 175.76 176.95 2jwk s ILE 35 N -0.59 0.75 -0.27 0.00 -4.36 0.24 0.44 121.20 117.41 2jwk s ILE 35 Ca 0.07 -0.33 -0.04 0.00 -0.26 0.00 0.00 60.65 60.09 2jwk s ILE 35 Cb -0.08 -0.68 0.02 0.00 1.25 0.00 0.00 42.46 42.96 2jwk s ILE 35 CO 0.00 0.24 0.01 -0.55 0.24 0.00 0.00 174.94 174.89 2jwk s SER 36 N 0.31 4.75 -0.30 4.36 0.15 0.19 0.37 113.70 123.51 2jwk s SER 36 Ca -0.05 -0.77 -0.02 0.00 0.70 0.00 0.00 55.95 55.81 2jwk s SER 36 Cb -0.10 -1.78 0.05 0.00 -1.71 0.00 0.00 66.02 62.49 2jwk s SER 36 CO 0.01 -0.16 0.01 -0.63 1.20 0.00 0.00 173.24 173.66 2jwk s ILE 37 N 1.42 3.00 -1.55 6.45 1.01 0.19 -0.87 121.20 130.85 2jwk s ILE 37 Ca 0.01 -1.41 -0.09 0.00 0.00 0.00 0.00 60.65 59.16 2jwk s ILE 37 Cb -0.17 -2.74 0.08 0.00 0.01 0.00 0.00 42.46 39.64 2jwk s ILE 37 CO -0.01 -0.13 0.62 0.61 0.00 0.00 0.00 174.94 176.03 2jwk n GLY 38 N 4.62 -0.34 1.05 6.18 0.00 -1.23 -0.94 105.19 114.53 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 -1.72 3.08 3.69 -0.02 0.00 -1.26 -5.03 105.19 103.93 2jwk n GLY 39 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.31 4.31 -0.15 1.61 2.12 -0.12 -5.05 118.70 121.12 2jwk s GLU 40 Ca 0.00 0.70 -0.05 0.00 0.36 0.00 0.00 54.97 55.97 2jwk s GLU 40 Cb 0.00 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 2jwk s GLU 40 CO 0.00 -0.07 0.03 0.50 -0.54 0.00 0.00 175.26 175.18 2jwk s ARG 41 N 1.33 3.63 -0.14 4.30 3.52 -1.26 0.57 118.95 130.90 2jwk s ARG 41 Ca 0.32 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 2jwk s ARG 41 Cb -0.16 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 2jwk s ARG 41 CO 0.13 0.41 -0.19 -0.65 -0.81 0.00 0.00 175.30 174.19 2jwk s GLN 42 N -0.05 3.14 0.25 5.12 -0.21 0.16 -4.96 119.66 123.11 2jwk s GLN 42 Ca 0.05 -0.80 0.11 0.00 0.02 0.00 0.00 55.36 54.73 2jwk s GLN 42 Cb -0.12 -2.50 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 2jwk s GLN 42 CO 0.02 0.06 -0.14 -1.21 -2.12 0.00 0.00 175.29 171.89 2jwk s GLU 43 N 0.68 1.87 -0.06 2.91 2.02 -1.26 -0.59 118.70 124.26 2jwk s GLU 43 Ca -0.09 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.33 2jwk s GLU 43 Cb -0.16 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.13 2jwk s GLU 43 CO 0.02 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.07 2jwk n GLY 44 N -0.47 0.37 3.86 -1.39 0.00 -1.22 -5.02 105.19 101.31 2jwk n GLY 44 Ca -0.07 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.16 4.15 0.59 0.99 1.43 -0.75 -4.92 118.68 120.00 2jwk s LEU 45 Ca 0.00 1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 54.22 2jwk s LEU 45 Cb 0.00 -3.82 0.04 0.00 0.03 0.00 0.00 46.19 42.44 2jwk s LEU 45 CO 0.00 -0.11 0.84 0.42 0.23 0.00 0.00 176.35 177.73 2jwk s THR 46 N -1.84 2.77 0.13 5.49 -4.23 -1.26 -1.98 115.64 114.72 2jwk s THR 46 Ca 0.49 -0.48 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 2jwk s THR 46 Cb -0.11 -3.08 -0.00 0.00 1.34 0.00 0.00 72.50 70.64 2jwk s THR 46 CO 0.19 -0.07 1.61 1.05 -0.54 0.00 0.00 174.62 176.86 2jwk h GLU 47 N -0.11 0.72 -0.68 3.99 4.11 -1.99 0.11 114.58 120.73 2jwk h GLU 47 Ca -0.43 -0.20 -0.07 0.00 0.07 0.00 0.00 59.36 58.73 2jwk h GLU 47 Cb 1.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2jwk h GLU 47 CO 0.56 0.75 0.16 1.49 0.07 0.00 0.00 179.01 182.04 2jwk h GLU 48 N 0.57 1.09 -0.27 1.06 4.81 -1.95 -1.92 114.58 117.97 2jwk h GLU 48 Ca 0.13 -0.26 -0.17 0.00 -0.13 0.00 0.00 59.36 58.93 2jwk h GLU 48 Cb 0.39 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2jwk h GLU 48 CO 0.01 0.97 -0.50 1.98 -0.73 0.00 0.00 179.01 180.74 2jwk h MET 49 N 1.02 0.74 -0.20 1.92 4.05 -1.92 -2.48 114.93 118.06 2jwk h MET 49 Ca 0.21 -0.44 -0.05 0.00 -0.28 0.00 0.00 59.70 59.14 2jwk h MET 49 Cb 0.37 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 2jwk h MET 49 CO 0.00 1.07 -0.11 -0.24 0.23 0.00 0.00 176.91 177.86 2jwk h VAL 50 N 0.58 1.19 -0.06 -5.77 3.04 -0.62 -2.35 116.25 112.27 2jwk h VAL 50 Ca 0.02 -0.82 -0.00 0.00 -1.01 0.00 0.00 66.70 64.89 2jwk h VAL 50 Cb 1.07 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2jwk h VAL 50 CO 0.11 0.26 0.02 0.74 -1.01 0.00 0.00 177.57 177.69 2jwk h THR 51 N 0.31 1.17 -0.39 3.17 2.02 -1.16 -0.65 112.91 117.38 2jwk h THR 51 Ca 0.06 -0.50 0.08 0.00 0.77 0.00 0.00 66.41 66.83 2jwk h THR 51 Cb 0.38 1.39 -0.08 0.00 -1.74 0.00 0.00 68.15 68.10 2jwk h THR 51 CO 0.02 0.14 -0.20 -0.61 0.37 0.00 0.00 175.52 175.24 2jwk h GLN 52 N -0.10 -0.13 -0.15 6.66 5.75 -1.03 0.26 115.11 126.38 2jwk h GLN 52 Ca 0.02 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2jwk h GLN 52 Cb 0.20 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2jwk h GLN 52 CO -0.00 -0.08 0.03 -0.07 -2.65 0.00 0.00 178.83 176.05 2jwk h LEU 53 N -0.13 0.24 -0.73 -2.39 3.38 -1.37 -0.77 115.31 113.54 2jwk h LEU 53 Ca 0.19 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2jwk h LEU 53 Cb 0.42 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2jwk h LEU 53 CO -0.47 0.43 0.47 0.28 0.09 0.00 0.00 178.44 179.24 2jwk h SER 54 N 0.03 0.80 -0.34 -0.43 0.02 -0.67 -1.17 113.55 111.79 2jwk h SER 54 Ca 0.05 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2jwk h SER 54 Cb 0.29 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2jwk h SER 54 CO 0.00 0.56 -0.05 0.03 -1.14 0.00 0.00 176.83 176.23 2jwk h ARG 55 N 0.94 0.64 -0.72 3.45 2.47 -0.44 -1.56 114.38 119.17 2jwk h ARG 55 Ca 0.28 -0.23 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 2jwk h ARG 55 Cb -0.05 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 2jwk h ARG 55 CO -0.08 0.79 0.27 0.37 0.56 0.00 0.00 179.97 181.88 2jwk h GLN 56 N 0.43 1.08 -0.33 0.04 4.15 -0.85 -0.43 115.11 119.20 2jwk h GLN 56 Ca 0.09 -0.20 -0.15 0.00 0.77 0.00 0.00 58.65 59.16 2jwk h GLN 56 Cb 0.53 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2jwk h GLN 56 CO 0.03 0.90 -0.39 0.93 -1.93 0.00 0.00 178.83 178.37 2jwk h GLU 57 N 1.03 0.77 0.00 1.69 4.39 -1.17 -2.45 114.58 118.85 2jwk h GLU 57 Ca 0.24 -0.40 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 2jwk h GLU 57 Cb 0.23 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2jwk h GLU 57 CO -0.02 1.02 -0.53 0.35 -1.16 0.00 0.00 179.01 178.68 2jwk h PHE 58 N 0.64 0.00 0.00 4.33 3.57 -1.02 -1.26 116.94 123.19 2jwk h PHE 58 Ca 0.05 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.39 2jwk h PHE 58 Cb 0.94 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2jwk h PHE 58 CO 0.05 0.53 -0.79 -0.44 -2.23 0.00 0.00 178.31 175.43 2jwk h ASP 59 N 0.00 0.00 0.58 0.41 3.32 -0.96 -3.18 116.42 116.60 2jwk h ASP 59 Ca -0.01 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.76 2jwk h ASP 59 Cb 0.96 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 2jwk h ASP 59 CO 0.07 0.79 -1.42 0.11 -1.72 0.00 0.00 179.24 177.07 2jwk h LYS 60 N 0.00 0.17 -3.61 3.56 6.56 -1.35 -3.43 116.57 118.48 2jwk h LYS 60 Ca -0.01 -0.29 -0.56 0.00 -1.06 0.00 0.00 60.65 58.73 2jwk h LYS 60 Cb 1.54 0.11 -0.40 0.00 -0.57 0.00 0.00 32.23 32.91 2jwk h LYS 60 CO 0.10 1.02 -0.76 0.34 -2.06 0.00 0.00 179.45 178.09 2jwk s ASP 61 N -6.82 3.61 0.00 0.86 -1.08 -0.49 -5.00 116.67 107.75 2jwk s ASP 61 Ca -0.06 -1.30 0.15 0.00 -0.52 0.00 0.00 52.55 50.82 2jwk s ASP 61 Cb 0.08 -0.79 0.84 0.00 -1.46 0.00 0.00 42.92 41.59 2jwk s ASP 61 CO 0.85 -0.36 1.55 0.59 0.52 0.00 0.00 175.17 178.31 2jwk n ASN 62 N 4.91 0.11 -0.12 -0.34 4.13 -1.20 -3.43 115.26 119.32 2jwk n ASN 62 Ca -0.06 -1.57 0.06 0.00 1.68 0.00 0.00 54.58 54.70 2jwk n ASN 62 Cb 0.44 -0.01 0.09 0.00 -1.54 0.00 0.00 39.78 38.76 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 -0.66 1.86 -4.67 6.41 3.02 -1.26 -5.04 115.26 114.92 2jwk n ASN 63 Ca 0.11 -2.66 -0.42 0.00 -0.03 0.00 0.00 54.58 51.57 2jwk n ASN 63 Cb 0.07 -0.31 -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 -2.03 3.78 0.04 3.41 2.01 -1.22 -4.89 115.64 116.74 2jwk s THR 64 Ca 0.21 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 2jwk s THR 64 Cb 0.18 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 2jwk s THR 64 CO 0.02 -0.06 1.55 -0.22 -0.69 0.00 0.00 174.62 175.22 2jwk s LEU 65 N 3.36 4.35 -0.10 4.42 2.96 -1.26 -4.88 118.68 127.53 2jwk s LEU 65 Ca 0.66 2.34 0.01 0.00 -0.22 0.00 0.00 54.13 56.91 2jwk s LEU 65 Cb -0.30 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.81 2jwk s LEU 65 CO 0.25 -0.82 -0.12 -0.36 -1.32 0.00 0.00 176.35 173.98 2jwk s PHE 66 N 2.52 2.81 0.00 5.38 0.40 -1.26 -0.72 117.98 127.12 2jwk s PHE 66 Ca 0.70 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 2jwk s PHE 66 Cb -0.36 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 2jwk s PHE 66 CO 0.30 0.00 -0.05 -0.48 0.70 0.00 0.00 175.22 175.69 2jwk s LEU 67 N -0.14 2.06 -0.11 -0.37 0.05 -0.89 -5.00 118.68 114.29 2jwk s LEU 67 Ca -0.00 -0.17 0.02 0.00 0.05 0.00 0.00 54.13 54.03 2jwk s LEU 67 Cb -0.13 -0.19 0.01 0.00 -2.05 0.00 0.00 46.19 43.83 2jwk s LEU 67 CO 0.03 -0.01 -0.18 -0.69 -0.55 0.00 0.00 176.35 174.96 2jwk s VAL 68 N -0.36 1.68 0.03 1.48 1.01 -1.26 -1.62 120.40 121.36 2jwk s VAL 68 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2jwk s VAL 68 Cb -0.03 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2jwk s VAL 68 CO -0.00 0.48 -0.08 -0.83 0.00 0.00 0.00 175.10 174.67 2jwk s GLY 69 N 0.78 0.45 0.18 4.51 0.00 -0.82 -5.02 107.32 107.41 2jwk s GLY 69 Ca -0.10 -0.60 0.10 0.00 0.00 0.00 0.00 44.72 44.12 2jwk s GLY 69 CO 0.01 -0.61 -0.21 -0.32 0.00 0.00 0.00 173.10 171.97 2jwk s GLY 70 N -1.06 1.54 0.77 0.20 0.00 -1.26 -0.74 107.32 106.77 2jwk s GLY 70 Ca -0.05 -1.55 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 2jwk s GLY 70 CO 0.00 -1.59 1.11 0.00 0.00 0.00 0.00 173.10 172.62 2jwk s ALA 71 N -1.81 2.55 0.45 3.20 0.00 -1.05 -4.92 121.76 120.18 2jwk s ALA 71 Ca 0.18 -0.35 0.13 0.00 0.00 0.00 0.00 51.96 51.92 2jwk s ALA 71 Cb -0.07 -3.05 1.06 0.00 0.00 0.00 0.00 23.12 21.06 2jwk s ALA 71 CO 0.08 -1.50 2.03 0.87 0.00 0.00 0.00 175.76 177.24 2jwk h LYS 72 N -0.92 0.33 -0.00 0.00 6.56 -1.98 -0.51 116.57 120.05 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 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2jwk h LYS 72 CO 0.62 0.22 -0.01 0.39 -2.06 0.00 0.00 179.45 178.61 2jwk n GLU 73 N -4.47 0.36 -3.18 3.15 1.02 -1.26 -4.78 120.64 111.47 2jwk n GLU 73 Ca 0.06 -0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.80 2jwk n GLU 73 Cb 0.25 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.65 4.96 0.59 2.62 1.01 -0.20 -4.99 120.40 121.73 2jwk s VAL 74 Ca 0.26 1.26 -0.14 0.00 0.00 0.00 0.00 61.98 63.36 2jwk s VAL 74 Cb 0.20 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2jwk s VAL 74 CO 0.48 0.38 1.03 -2.16 0.00 0.00 0.00 175.10 174.82 2jwk s PRO 75 N 0.08 3.53 0.34 2.72 0.04 -1.26 -4.81 135.00 135.64 2jwk s PRO 75 Ca 0.32 0.99 0.05 0.00 0.04 0.00 0.00 61.00 62.41 2jwk s PRO 75 Cb -0.18 -2.07 0.63 0.00 0.04 0.00 0.00 34.50 32.92 2jwk s PRO 75 CO 0.17 -0.62 1.87 -0.92 0.04 0.00 0.00 177.00 177.54 2jwk h TYR 76 N 0.29 0.47 -0.81 0.56 3.20 -1.97 -2.08 116.97 116.62 2jwk h TYR 76 Ca -0.46 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.43 2jwk h TYR 76 Cb 1.20 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 2jwk h TYR 76 CO 0.62 0.51 0.53 0.93 -1.64 0.00 0.00 178.16 179.11 2jwk h GLU 77 N 0.43 0.84 -0.16 1.82 5.08 -2.00 -0.60 114.58 119.99 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 0.36 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2jwk h GLU 77 CO 0.02 0.55 -0.54 0.93 -1.00 0.00 0.00 179.01 178.97 2jwk h GLU 78 N 0.86 0.47 -0.74 2.33 3.07 -1.76 -2.49 114.58 116.33 2jwk h GLU 78 Ca 0.36 -0.29 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 2jwk h GLU 78 Cb 0.27 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 2jwk h GLU 78 CO -0.13 0.89 0.35 0.28 -1.40 0.00 0.00 179.01 179.00 2jwk h VAL 79 N 0.36 1.23 -0.17 3.13 2.07 -0.91 -1.78 116.25 120.20 2jwk h VAL 79 Ca 0.01 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2jwk h VAL 79 Cb 1.06 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2jwk h VAL 79 CO 0.10 0.28 0.11 0.40 0.02 0.00 0.00 177.57 178.47 2jwk h ILE 80 N 1.04 1.04 -0.62 4.57 1.08 -0.95 -1.98 117.51 121.69 2jwk h ILE 80 Ca 0.25 -0.08 0.09 0.00 -0.39 0.00 0.00 64.86 64.74 2jwk h ILE 80 Cb 0.10 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 34.58 2jwk h ILE 80 CO -0.03 0.04 0.25 0.11 -0.69 0.00 0.00 178.15 177.83 2jwk h LYS 81 N 0.22 0.43 -0.13 2.37 1.57 -0.98 0.20 116.57 120.26 2jwk h LYS 81 Ca 0.06 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2jwk h LYS 81 Cb -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2jwk h LYS 81 CO -0.02 0.29 0.04 0.00 -0.57 0.00 0.00 179.45 179.19 2jwk h ALA 82 N 1.41 0.14 -0.56 3.86 0.00 -0.97 0.50 119.26 123.65 2jwk h ALA 82 Ca 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2jwk h ALA 82 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2jwk h ALA 82 CO -0.29 -0.41 0.28 -0.07 0.00 0.00 0.00 179.25 178.76 2jwk h LEU 83 N 0.11 0.70 -0.71 0.00 3.38 -0.77 -1.89 115.31 116.13 2jwk h LEU 83 Ca 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 83 Cb 0.03 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2jwk h LEU 83 CO -0.05 0.59 0.37 -1.13 0.09 0.00 0.00 178.44 178.31 2jwk h ASN 84 N 0.79 0.91 -0.60 -0.43 -0.73 0.28 -1.83 115.58 113.96 2jwk h ASN 84 Ca 0.20 -0.11 -0.07 0.00 1.87 0.00 0.00 56.30 58.18 2jwk h ASN 84 Cb 0.07 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.40 2jwk h ASN 84 CO -0.03 0.76 0.11 -0.07 -0.37 0.00 0.00 177.43 177.84 2jwk h LEU 85 N 0.99 0.96 -0.64 0.34 3.38 -0.16 -1.33 115.31 118.86 2jwk h LEU 85 Ca 0.25 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2jwk h LEU 85 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2jwk h LEU 85 CO -0.04 0.96 0.23 -0.07 0.09 0.00 0.00 178.44 179.61 2jwk h LEU 86 N 0.96 0.90 -0.70 1.67 -0.00 -1.10 -2.55 115.31 114.48 2jwk h LEU 86 Ca 0.20 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.88 57.84 2jwk h LEU 86 Cb 0.40 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.79 2jwk h LEU 86 CO 0.01 0.85 0.26 -0.74 -0.00 0.00 0.00 178.44 178.81 2jwk h HIS 87 N 0.91 1.10 -0.92 1.13 2.76 -1.01 0.25 115.15 119.37 2jwk h HIS 87 Ca 0.21 -0.10 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 2jwk h HIS 87 Cb 0.24 -0.32 -0.06 0.00 1.55 0.00 0.00 27.41 28.82 2jwk h HIS 87 CO 0.02 0.86 0.60 1.25 -1.30 0.00 0.00 177.93 179.36 2jwk h LEU 88 N 1.02 0.97 -1.68 0.26 6.46 -0.89 -1.25 115.31 120.19 2jwk h LEU 88 Ca 0.23 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2jwk h LEU 88 Cb 0.25 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2jwk h LEU 88 CO -0.01 0.65 0.00 0.00 -0.62 0.00 0.00 178.44 178.46 2jwk n ALA 89 N -2.39 2.59 -3.35 1.25 0.00 -0.99 -4.93 120.51 112.69 2jwk n ALA 89 Ca 0.13 -0.79 -0.18 0.00 0.00 0.00 0.00 53.44 52.60 2jwk n ALA 89 Cb 0.13 -0.99 0.07 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 1.01 -0.30 0.13 0.00 0.00 -0.47 -4.91 105.19 100.65 2jwk n GLY 90 Ca 0.14 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.24 1.46 -1.03 -0.61 5.41 0.84 -5.01 119.36 116.18 2jwk n ILE 91 Ca -0.10 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.07 2jwk n ILE 91 Cb 0.59 -1.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 2jwk n ILE 91 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84