#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 1.88 -4.13 1.61 3.41 -1.26 -4.93 113.62 110.20 2jwk n SER 20 Ca 0.00 0.42 -0.31 0.00 -0.26 0.00 0.00 58.87 58.72 2jwk n SER 20 Cb 0.00 -0.91 -0.17 0.00 -0.26 0.00 0.00 64.21 62.87 2jwk n SER 20 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jwk s VAL 21 N -2.41 1.87 1.16 -3.33 1.01 -1.26 -5.10 120.40 112.33 2jwk s VAL 21 Ca -0.30 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 2jwk s VAL 21 Cb 0.08 -1.66 0.19 0.00 0.00 0.00 0.00 36.38 34.98 2jwk s VAL 21 CO 0.52 0.51 0.32 -2.65 0.00 0.00 0.00 175.10 173.80 2jwk n PRO 22 N 4.08 -2.36 -3.94 2.72 -0.02 -1.26 -4.33 135.00 129.90 2jwk n PRO 22 Ca -0.20 -0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 60.25 2jwk n PRO 22 Cb 0.51 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.12 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 3.11 -0.17 -1.45 1.01 0.82 -3.63 120.40 117.89 2jwk s VAL 23 Ca 0.55 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2jwk s VAL 23 Cb -0.12 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2jwk s VAL 23 CO 0.57 0.34 -0.03 -0.63 0.00 0.00 0.00 175.10 175.35 2jwk s ILE 24 N 1.41 3.82 -0.21 2.22 1.09 -0.03 -2.27 121.20 127.23 2jwk s ILE 24 Ca 0.04 -0.37 -0.03 0.00 -1.10 0.00 0.00 60.65 59.19 2jwk s ILE 24 Cb -0.15 -2.69 -0.00 0.00 -1.06 0.00 0.00 42.46 38.56 2jwk s ILE 24 CO -0.04 0.47 -0.08 -0.22 -0.10 0.00 0.00 174.94 174.96 2jwk s LEU 25 N 0.62 2.70 -0.15 2.97 0.20 -0.73 0.67 118.68 124.96 2jwk s LEU 25 Ca -0.02 -0.45 -0.02 0.00 0.69 0.00 0.00 54.13 54.32 2jwk s LEU 25 Cb -0.14 -1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 43.92 2jwk s LEU 25 CO 0.02 -0.01 -0.07 -0.70 -0.29 0.00 0.00 176.35 175.31 2jwk s GLU 26 N 1.39 3.54 -0.23 1.98 2.12 0.18 -2.07 118.70 125.62 2jwk s GLU 26 Ca 0.05 -0.59 -0.24 0.00 0.36 0.00 0.00 54.97 54.55 2jwk s GLU 26 Cb -0.14 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.41 2jwk s GLU 26 CO -0.05 0.18 0.81 0.08 -0.54 0.00 0.00 175.26 175.74 2jwk s VAL 27 N 0.49 4.86 -0.07 3.70 1.01 -0.30 -0.31 120.40 129.78 2jwk s VAL 27 Ca -0.05 1.54 0.19 0.00 0.00 0.00 0.00 61.98 63.65 2jwk s VAL 27 Cb -0.15 -4.10 -0.28 0.00 0.00 0.00 0.00 36.38 31.85 2jwk s VAL 27 CO 0.03 -0.04 0.32 0.00 0.00 0.00 0.00 175.10 175.41 2jwk n ALA 28 N 5.80 2.36 -2.00 5.51 0.00 -0.79 -2.55 120.51 128.85 2jwk n ALA 28 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2jwk n ALA 28 Cb 0.48 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 1.54 0.23 3.12 0.00 0.00 -1.21 -4.82 105.19 104.04 2jwk n GLY 29 Ca -0.12 0.51 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 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 2.70 3.22 0.00 -0.61 -1.09 -1.26 -4.59 121.20 119.57 2jwk s ILE 30 Ca 0.00 -2.03 0.00 0.00 -2.23 0.00 0.00 60.65 56.39 2jwk s ILE 30 Cb 0.00 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 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 4.58 1.12 3.20 6.18 0.00 -1.26 -4.98 105.19 114.02 2jwk n GLY 31 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.05 2.79 0.18 1.61 1.02 -1.26 -4.37 119.74 119.66 2jwk s LYS 32 Ca 0.00 -2.23 0.04 0.00 0.02 0.00 0.00 55.97 53.80 2jwk s LYS 32 Cb 0.00 -3.98 -0.04 0.00 -0.52 0.00 0.00 37.83 33.29 2jwk s LYS 32 CO 0.00 -1.21 0.21 0.71 -0.92 0.00 0.00 175.35 174.14 2jwk s TYR 33 N 0.52 3.28 0.00 3.18 2.02 -0.92 -1.89 117.35 123.54 2jwk s TYR 33 Ca 0.13 0.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.92 2jwk s TYR 33 Cb -0.20 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 2jwk s TYR 33 CO -0.04 0.51 -0.22 0.00 -1.57 0.00 0.00 175.55 174.23 2jwk s ALA 34 N -1.82 1.87 -0.04 3.71 0.00 0.58 -1.90 121.76 124.17 2jwk s ALA 34 Ca 0.33 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2jwk s ALA 34 Cb -0.10 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.58 2jwk s ALA 34 CO 0.26 0.45 -0.10 0.96 0.00 0.00 0.00 175.76 177.33 2jwk s ILE 35 N -0.61 0.90 -0.28 0.00 -4.36 0.28 0.49 121.20 117.62 2jwk s ILE 35 Ca 0.09 -0.40 -0.04 0.00 -0.26 0.00 0.00 60.65 60.04 2jwk s ILE 35 Cb -0.09 -0.81 0.02 0.00 1.25 0.00 0.00 42.46 42.83 2jwk s ILE 35 CO -0.00 0.28 0.01 -0.44 0.24 0.00 0.00 174.94 175.04 2jwk s SER 36 N 0.36 4.77 -0.29 4.36 0.01 0.21 -0.17 113.70 122.96 2jwk s SER 36 Ca -0.07 -0.86 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 2jwk s SER 36 Cb -0.11 -1.77 0.05 0.00 0.21 0.00 0.00 66.02 64.40 2jwk s SER 36 CO 0.01 -0.18 -0.03 -0.63 0.41 0.00 0.00 173.24 172.82 2jwk s ILE 37 N 1.40 2.77 -1.59 1.44 1.01 0.91 -0.85 121.20 126.29 2jwk s ILE 37 Ca 0.01 -1.44 -0.13 0.00 0.00 0.00 0.00 60.65 59.09 2jwk s ILE 37 Cb -0.17 -2.60 0.10 0.00 0.01 0.00 0.00 42.46 39.80 2jwk s ILE 37 CO -0.01 -0.08 0.74 0.61 0.00 0.00 0.00 174.94 176.20 2jwk n GLY 38 N 4.57 -0.40 1.04 6.18 0.00 -1.24 -0.89 105.19 114.46 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 -1.61 3.05 3.68 -0.02 0.00 -1.26 -5.03 105.19 104.00 2jwk n GLY 39 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.27 4.34 -0.17 1.61 0.41 -0.07 -5.04 118.70 119.53 2jwk s GLU 40 Ca 0.00 1.08 -0.06 0.00 -0.41 0.00 0.00 54.97 55.58 2jwk s GLU 40 Cb 0.00 -3.55 -0.04 0.00 -1.78 0.00 0.00 34.13 28.76 2jwk s GLU 40 CO 0.00 -0.27 0.04 0.50 -0.49 0.00 0.00 175.26 175.04 2jwk s ARG 41 N 1.92 3.84 -0.13 1.61 3.00 -1.26 -0.06 118.95 127.87 2jwk s ARG 41 Ca 0.40 -0.37 0.03 0.00 -1.00 0.00 0.00 55.73 54.79 2jwk s ARG 41 Cb -0.17 -3.13 0.00 0.00 0.00 0.00 0.00 34.95 31.66 2jwk s ARG 41 CO 0.15 0.32 -0.22 -0.65 0.00 0.00 0.00 175.30 174.89 2jwk s GLN 42 N 0.23 3.07 0.24 5.12 -0.21 0.76 -4.96 119.66 123.91 2jwk s GLN 42 Ca 0.03 -0.85 0.11 0.00 0.02 0.00 0.00 55.36 54.67 2jwk s GLN 42 Cb -0.13 -2.41 -0.05 0.00 1.00 0.00 0.00 33.01 31.43 2jwk s GLN 42 CO 0.01 0.07 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.10 2jwk s GLU 43 N 0.62 1.83 0.00 2.91 2.12 -1.26 -0.56 118.70 124.36 2jwk s GLU 43 Ca -0.11 -1.57 0.00 0.00 0.36 0.00 0.00 54.97 53.65 2jwk s GLU 43 Cb -0.16 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.30 2jwk s GLU 43 CO 0.03 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 2jwk n GLY 44 N -0.38 0.43 3.86 -1.50 0.00 -1.21 -5.02 105.19 101.38 2jwk n GLY 44 Ca -0.08 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.80 -4.92 118.68 120.11 2jwk s LEU 45 Ca 0.00 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2jwk s LEU 45 Cb 0.00 -3.87 0.06 0.00 0.03 0.00 0.00 46.19 42.41 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 0.10 5.49 -4.23 -1.26 -2.17 115.64 114.12 2jwk s THR 46 Ca 0.50 -0.57 -0.17 0.00 -1.18 0.00 0.00 61.69 60.28 2jwk s THR 46 Cb -0.11 -2.91 -0.06 0.00 1.34 0.00 0.00 72.50 70.76 2jwk s THR 46 CO 0.20 0.00 1.53 -0.33 -0.54 0.00 0.00 174.62 175.48 2jwk h GLU 47 N -0.20 0.54 -0.73 3.99 5.08 -1.99 0.51 114.58 121.78 2jwk h GLU 47 Ca -0.41 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 57.72 2jwk h GLU 47 Cb 1.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2jwk h GLU 47 CO 0.51 0.69 0.26 0.93 -1.00 0.00 0.00 179.01 180.40 2jwk h GLU 48 N 0.32 1.11 -0.21 2.33 4.39 -1.97 -1.91 114.58 118.64 2jwk h GLU 48 Ca 0.08 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 2jwk h GLU 48 Cb 0.46 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2jwk h GLU 48 CO 0.02 0.92 -0.22 0.52 -1.16 0.00 0.00 179.01 179.09 2jwk h MET 49 N 1.07 0.51 -0.44 2.33 2.86 -1.92 -2.28 114.93 117.05 2jwk h MET 49 Ca 0.24 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2jwk h MET 49 Cb 0.26 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2jwk h MET 49 CO -0.01 0.86 0.30 -0.24 1.06 0.00 0.00 176.91 178.87 2jwk h VAL 50 N 0.19 1.03 0.06 -2.22 3.04 -0.75 -1.60 116.25 116.00 2jwk h VAL 50 Ca 0.03 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.55 2jwk h VAL 50 Cb 0.77 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2jwk h VAL 50 CO 0.05 0.09 -0.03 0.74 -1.01 0.00 0.00 177.57 177.41 2jwk h THR 51 N 0.48 1.08 -0.35 3.17 2.02 -1.18 -0.24 112.91 117.89 2jwk h THR 51 Ca 0.18 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 67.00 2jwk h THR 51 Cb 0.13 1.37 -0.08 0.00 -1.74 0.00 0.00 68.15 67.82 2jwk h THR 51 CO -0.04 0.11 -0.26 -0.61 0.37 0.00 0.00 175.52 175.09 2jwk h GLN 52 N -0.27 -0.21 -0.13 6.66 4.15 -0.73 0.32 115.11 124.90 2jwk h GLN 52 Ca -0.01 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2jwk h GLN 52 Cb 0.24 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2jwk h GLN 52 CO 0.01 -0.14 0.03 -0.07 -1.93 0.00 0.00 178.83 176.73 2jwk h LEU 53 N -0.22 0.21 -0.72 -2.39 3.38 -1.34 -0.86 115.31 113.37 2jwk h LEU 53 Ca 0.17 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 53 Cb 0.49 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2jwk h LEU 53 CO -0.47 0.39 0.45 -1.28 0.09 0.00 0.00 178.44 177.61 2jwk h SER 54 N 0.01 0.72 -0.36 -0.43 0.87 -0.57 -0.61 113.55 113.17 2jwk h SER 54 Ca 0.04 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 2jwk h SER 54 Cb 0.27 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2jwk h SER 54 CO 0.00 0.49 -0.00 0.03 -0.53 0.00 0.00 176.83 176.81 2jwk h ARG 55 N 0.85 0.64 -0.71 2.24 2.47 -0.29 -1.23 114.38 118.35 2jwk h ARG 55 Ca 0.30 -0.21 -0.07 0.00 -1.26 0.00 0.00 59.98 58.74 2jwk h ARG 55 Cb 0.07 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 2jwk h ARG 55 CO -0.13 0.75 0.17 0.37 0.56 0.00 0.00 179.97 181.69 2jwk h GLN 56 N 0.46 1.14 -0.30 0.04 4.15 -0.81 -0.53 115.11 119.26 2jwk h GLN 56 Ca 0.10 -0.28 -0.15 0.00 0.77 0.00 0.00 58.65 59.09 2jwk h GLN 56 Cb 0.47 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2jwk h GLN 56 CO 0.02 1.01 -0.41 1.49 -1.93 0.00 0.00 178.83 179.00 2jwk h GLU 57 N 1.08 0.74 -0.04 1.69 4.22 -1.04 -2.28 114.58 118.95 2jwk h GLU 57 Ca 0.22 -0.39 -0.12 0.00 0.08 0.00 0.00 59.36 59.15 2jwk h GLU 57 Cb 0.39 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jwk h GLU 57 CO 0.00 1.01 -0.52 0.35 -2.18 0.00 0.00 179.01 177.68 2jwk h PHE 58 N 0.60 0.13 0.00 0.92 3.57 -0.98 -0.09 116.94 121.09 2jwk h PHE 58 Ca 0.05 -0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 2jwk h PHE 58 Cb 0.96 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2jwk h PHE 58 CO 0.05 0.60 -0.69 0.22 -2.23 0.00 0.00 178.31 176.26 2jwk h ASP 59 N 0.08 0.00 0.36 0.41 1.82 -0.96 -3.07 116.42 115.06 2jwk h ASP 59 Ca -0.00 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.32 2jwk h ASP 59 Cb 0.94 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.96 2jwk h ASP 59 CO 0.07 0.69 -1.56 0.50 -1.61 0.00 0.00 179.24 177.34 2jwk h LYS 60 N 0.00 0.36 -4.06 0.28 3.64 -1.28 -3.42 116.57 112.08 2jwk h LYS 60 Ca -0.01 -0.61 -0.61 0.00 -1.27 0.00 0.00 60.65 58.15 2jwk h LYS 60 Cb 1.39 0.23 -0.40 0.00 -0.41 0.00 0.00 32.23 33.04 2jwk h LYS 60 CO 0.09 1.26 -0.75 -0.51 -2.27 0.00 0.00 179.45 177.27 2jwk s ASP 61 N -7.22 4.22 0.00 4.20 1.11 -0.06 -4.98 116.67 113.94 2jwk s ASP 61 Ca -0.10 -1.72 0.27 0.00 0.18 0.00 0.00 52.55 51.17 2jwk s ASP 61 Cb 0.06 -1.16 1.53 0.00 1.07 0.00 0.00 42.92 44.41 2jwk s ASP 61 CO 0.88 -0.37 1.93 0.59 1.18 0.00 0.00 175.17 179.38 2jwk n ASN 62 N 4.62 0.00 -0.10 0.27 4.13 -1.16 -3.19 115.26 119.84 2jwk n ASN 62 Ca -0.02 -0.64 0.09 0.00 1.68 0.00 0.00 54.58 55.70 2jwk n ASN 62 Cb 0.42 -0.08 0.13 0.00 -1.54 0.00 0.00 39.78 38.71 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 -1.08 2.18 -4.65 6.41 3.02 -1.26 -5.04 115.26 114.85 2jwk n ASN 63 Ca 0.18 -2.99 -0.43 0.00 -0.03 0.00 0.00 54.58 51.32 2jwk n ASN 63 Cb 0.12 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 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 -2.64 3.76 0.12 3.41 2.01 -1.19 -4.25 115.64 116.85 2jwk s THR 64 Ca 0.29 0.90 -0.31 0.00 0.31 0.00 0.00 61.69 62.88 2jwk s THR 64 Cb 0.25 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 69.02 2jwk s THR 64 CO 0.03 -0.16 1.62 -0.22 -0.69 0.00 0.00 174.62 175.20 2jwk s LEU 65 N 4.34 4.37 -0.12 4.42 2.96 -1.26 -4.80 118.68 128.59 2jwk s LEU 65 Ca 0.69 2.56 0.01 0.00 -0.22 0.00 0.00 54.13 57.16 2jwk s LEU 65 Cb -0.28 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.82 2jwk s LEU 65 CO 0.26 -0.86 -0.14 -0.36 -1.32 0.00 0.00 176.35 173.93 2jwk s PHE 66 N 1.96 2.78 0.00 5.38 0.08 -1.26 -0.13 117.98 126.80 2jwk s PHE 66 Ca 0.72 -0.59 0.02 0.00 0.12 0.00 0.00 56.93 57.21 2jwk s PHE 66 Cb -0.42 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.22 2jwk s PHE 66 CO 0.32 -0.16 -0.06 -0.48 -0.10 0.00 0.00 175.22 174.74 2jwk s LEU 67 N 0.18 2.04 -0.11 -0.37 0.05 -0.96 -5.00 118.68 114.51 2jwk s LEU 67 Ca -0.08 -0.16 0.03 0.00 0.05 0.00 0.00 54.13 53.97 2jwk s LEU 67 Cb -0.15 -0.28 0.01 0.00 -2.05 0.00 0.00 46.19 43.71 2jwk s LEU 67 CO 0.05 0.04 -0.20 -0.69 -0.55 0.00 0.00 176.35 175.00 2jwk s VAL 68 N -0.30 1.80 0.01 1.48 1.01 -1.26 -1.78 120.40 121.37 2jwk s VAL 68 Ca 0.01 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.17 2jwk s VAL 68 Cb -0.03 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2jwk s VAL 68 CO -0.00 0.50 -0.09 -0.83 0.00 0.00 0.00 175.10 174.68 2jwk s GLY 69 N 0.68 0.48 0.21 4.51 0.00 -0.88 -5.02 107.32 107.31 2jwk s GLY 69 Ca -0.12 -0.50 0.11 0.00 0.00 0.00 0.00 44.72 44.22 2jwk s GLY 69 CO 0.02 -0.46 -0.23 -0.32 0.00 0.00 0.00 173.10 172.12 2jwk s GLY 70 N -0.56 1.72 0.73 0.20 0.00 -1.26 -1.15 107.32 106.99 2jwk s GLY 70 Ca 0.01 -1.68 -0.11 0.00 0.00 0.00 0.00 44.72 42.94 2jwk s GLY 70 CO 0.00 -1.72 1.10 0.00 0.00 0.00 0.00 173.10 172.48 2jwk s ALA 71 N -1.88 2.78 0.45 3.20 0.00 -1.06 -4.94 121.76 120.32 2jwk s ALA 71 Ca 0.22 -0.34 0.12 0.00 0.00 0.00 0.00 51.96 51.96 2jwk s ALA 71 Cb -0.07 -3.04 1.03 0.00 0.00 0.00 0.00 23.12 21.04 2jwk s ALA 71 CO 0.11 -1.26 2.06 0.87 0.00 0.00 0.00 175.76 177.54 2jwk h LYS 72 N -0.74 0.35 -0.00 0.00 1.79 -1.98 -0.85 116.57 115.14 2jwk h LYS 72 Ca -0.45 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2jwk h LYS 72 Cb 1.26 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2jwk h LYS 72 CO 0.63 0.23 -0.02 0.39 -1.08 0.00 0.00 179.45 179.60 2jwk n GLU 73 N -4.48 0.40 -3.05 3.15 1.02 -1.26 -4.81 120.64 111.60 2jwk n GLU 73 Ca 0.04 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.76 2jwk n GLU 73 Cb 0.17 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.62 4.65 0.49 2.62 1.01 -0.32 -5.00 120.40 121.22 2jwk s VAL 74 Ca 0.26 1.55 -0.19 0.00 0.00 0.00 0.00 61.98 63.61 2jwk s VAL 74 Cb 0.20 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 2jwk s VAL 74 CO 0.48 0.44 0.99 -2.16 0.00 0.00 0.00 175.10 174.84 2jwk s PRO 75 N -0.51 3.97 0.24 2.72 0.04 -1.26 -4.85 135.00 135.35 2jwk s PRO 75 Ca 0.36 1.10 -0.05 0.00 0.04 0.00 0.00 61.00 62.44 2jwk s PRO 75 Cb -0.21 -2.14 0.26 0.00 0.04 0.00 0.00 34.50 32.45 2jwk s PRO 75 CO 0.23 -0.26 1.77 -0.92 0.04 0.00 0.00 177.00 177.86 2jwk h TYR 76 N 1.32 1.03 -0.82 0.56 3.20 -1.97 -2.38 116.97 117.91 2jwk h TYR 76 Ca -0.48 -0.11 0.12 0.00 3.14 0.00 0.00 58.73 61.40 2jwk h TYR 76 Cb 1.19 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.10 2jwk h TYR 76 CO 0.62 0.85 0.53 0.93 -1.64 0.00 0.00 178.16 179.45 2jwk h GLU 77 N 0.95 0.66 -0.08 1.82 5.08 -2.00 0.28 114.58 121.30 2jwk h GLU 77 Ca 0.21 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 2jwk h GLU 77 Cb 0.32 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2jwk h GLU 77 CO -0.00 0.43 -0.69 1.49 -1.00 0.00 0.00 179.01 179.24 2jwk h GLU 78 N 0.68 0.35 -0.86 2.33 4.57 -1.83 -2.53 114.58 117.28 2jwk h GLU 78 Ca 0.39 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2jwk h GLU 78 Cb 0.59 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 2jwk h GLU 78 CO -0.16 0.91 0.42 0.28 -1.18 0.00 0.00 179.01 179.28 2jwk h VAL 79 N 0.24 1.26 -0.16 0.32 2.07 -0.65 -1.79 116.25 117.54 2jwk h VAL 79 Ca -0.02 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2jwk h VAL 79 Cb 1.25 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2jwk h VAL 79 CO 0.12 0.31 0.07 0.40 0.02 0.00 0.00 177.57 178.49 2jwk h ILE 80 N 1.23 0.98 -0.78 4.57 1.08 -1.02 -1.88 117.51 121.69 2jwk h ILE 80 Ca 0.30 -0.05 0.12 0.00 -0.39 0.00 0.00 64.86 64.83 2jwk h ILE 80 Cb 0.11 0.81 -0.08 0.00 -3.07 0.00 0.00 36.82 34.58 2jwk h ILE 80 CO -0.04 0.03 0.39 0.50 -0.69 0.00 0.00 178.15 178.34 2jwk h LYS 81 N 0.15 0.59 0.05 2.37 3.64 -1.02 0.36 116.57 122.73 2jwk h LYS 81 Ca 0.07 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2jwk h LYS 81 Cb 0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2jwk h LYS 81 CO -0.06 0.39 -0.07 0.00 -2.27 0.00 0.00 179.45 177.44 2jwk h ALA 82 N 1.50 -0.13 -0.67 5.00 0.00 -0.73 0.19 119.26 124.43 2jwk h ALA 82 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2jwk h ALA 82 Cb 0.51 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2jwk h ALA 82 CO -0.32 -0.59 0.41 -0.07 0.00 0.00 0.00 179.25 178.68 2jwk h LEU 83 N -0.16 0.79 -0.77 0.00 3.38 -0.58 -1.69 115.31 116.28 2jwk h LEU 83 Ca 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 83 Cb 0.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2jwk h LEU 83 CO -0.04 0.61 0.47 -1.13 0.09 0.00 0.00 178.44 178.44 2jwk h ASN 84 N 0.92 0.92 -0.53 -0.43 -0.73 0.60 -1.73 115.58 114.61 2jwk h ASN 84 Ca 0.24 -0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.27 2jwk h ASN 84 Cb -0.04 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.29 2jwk h ASN 84 CO -0.05 0.71 0.03 -0.07 -0.37 0.00 0.00 177.43 177.68 2jwk h LEU 85 N 1.06 0.92 -0.62 0.34 3.38 0.25 -1.54 115.31 119.10 2jwk h LEU 85 Ca 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 85 Cb -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2jwk h LEU 85 CO -0.05 0.97 0.26 -0.07 0.09 0.00 0.00 178.44 179.63 2jwk h LEU 86 N 0.89 0.85 -0.67 1.67 -0.00 -1.01 -2.44 115.31 114.61 2jwk h LEU 86 Ca 0.17 -0.16 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2jwk h LEU 86 Cb 0.48 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 2jwk h LEU 86 CO 0.02 0.78 0.25 -0.74 -0.00 0.00 0.00 178.44 178.75 2jwk h HIS 87 N 0.86 1.03 -0.86 1.13 2.76 -1.03 0.16 115.15 119.20 2jwk h HIS 87 Ca 0.21 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2jwk h HIS 87 Cb 0.19 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 28.79 2jwk h HIS 87 CO 0.01 0.82 0.57 -0.07 -1.30 0.00 0.00 177.93 177.95 2jwk h LEU 88 N 0.95 0.91 -1.84 0.26 3.38 -0.94 -1.41 115.31 116.63 2jwk h LEU 88 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jwk h LEU 88 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jwk h LEU 88 CO -0.01 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.13 2jwk n ALA 89 N -2.40 2.58 -3.51 1.53 0.00 -0.95 -4.94 120.51 112.82 2jwk n ALA 89 Ca 0.12 -0.87 -0.21 0.00 0.00 0.00 0.00 53.44 52.48 2jwk n ALA 89 Cb 0.13 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.53 -4.88 105.19 100.52 2jwk n GLY 90 Ca 0.16 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.59 1.25 -1.55 -0.61 5.41 0.50 -5.01 119.36 114.76 2jwk n ILE 91 Ca -0.13 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.01 2jwk n ILE 91 Cb 0.61 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72