#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 -1.42 -3.95 1.61 3.41 -1.26 -5.12 113.62 106.88 2jwk n SER 20 Ca 0.00 0.44 -0.28 0.00 -0.26 0.00 0.00 58.87 58.78 2jwk n SER 20 Cb 0.00 1.56 -0.17 0.00 -0.26 0.00 0.00 64.21 65.34 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 -1.60 1.20 1.09 -3.33 1.01 -1.26 -5.13 120.40 112.38 2jwk s VAL 21 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 2jwk s VAL 21 Cb 0.00 -1.17 0.17 0.00 0.00 0.00 0.00 36.38 35.38 2jwk s VAL 21 CO 0.00 0.39 0.27 -2.65 0.00 0.00 0.00 175.10 173.11 2jwk n PRO 22 N 4.75 -2.35 -3.87 2.72 -0.02 -1.26 -4.23 135.00 130.74 2jwk n PRO 22 Ca -0.15 -0.69 -0.36 0.00 -2.02 0.00 0.00 63.50 60.29 2jwk n PRO 22 Cb 0.50 -1.59 -0.14 0.00 -0.02 0.00 0.00 33.50 32.26 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 -2.13 3.44 -0.18 -1.45 1.01 0.03 -3.61 120.40 117.52 2jwk s VAL 23 Ca 0.45 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 2jwk s VAL 23 Cb -0.08 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2jwk s VAL 23 CO 0.46 0.23 -0.01 -0.63 0.00 0.00 0.00 175.10 175.14 2jwk s ILE 24 N 1.44 3.96 -0.19 2.22 1.09 -0.01 -2.17 121.20 127.54 2jwk s ILE 24 Ca 0.03 -0.32 -0.01 0.00 -1.10 0.00 0.00 60.65 59.24 2jwk s ILE 24 Cb -0.16 -2.77 -0.00 0.00 -1.06 0.00 0.00 42.46 38.47 2jwk s ILE 24 CO -0.01 0.46 -0.11 -0.22 -0.10 0.00 0.00 174.94 174.95 2jwk s LEU 25 N 0.69 2.59 -0.16 2.97 0.20 -0.76 0.80 118.68 125.02 2jwk s LEU 25 Ca -0.01 -0.47 -0.03 0.00 0.69 0.00 0.00 54.13 54.32 2jwk s LEU 25 Cb -0.14 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.98 2jwk s LEU 25 CO 0.02 0.02 -0.07 -0.70 -0.29 0.00 0.00 176.35 175.34 2jwk s GLU 26 N 1.19 3.52 -0.32 1.98 -6.30 0.17 -1.61 118.70 117.33 2jwk s GLU 26 Ca 0.02 -0.59 -0.23 0.00 -2.50 0.00 0.00 54.97 51.67 2jwk s GLU 26 Cb -0.14 -2.84 0.00 0.00 0.00 0.00 0.00 34.13 31.15 2jwk s GLU 26 CO -0.04 0.15 0.76 0.08 0.02 0.00 0.00 175.26 176.23 2jwk s VAL 27 N 0.57 4.80 -0.10 3.70 1.01 0.04 -0.56 120.40 129.86 2jwk s VAL 27 Ca -0.05 1.07 0.21 0.00 0.00 0.00 0.00 61.98 63.22 2jwk s VAL 27 Cb -0.15 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 2jwk s VAL 27 CO 0.03 -0.27 0.55 0.00 0.00 0.00 0.00 175.10 175.41 2jwk n ALA 28 N 6.20 2.46 -2.00 5.51 0.00 -0.71 -2.37 120.51 129.61 2jwk n ALA 28 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2jwk n ALA 28 Cb 0.48 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 1.34 0.11 3.02 0.00 0.00 -1.23 -4.84 105.19 103.59 2jwk n GLY 29 Ca -0.08 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 2.68 3.34 0.00 -0.61 -1.09 -1.26 -4.64 121.20 119.63 2jwk s ILE 30 Ca 0.00 -3.39 0.00 0.00 -2.23 0.00 0.00 60.65 55.03 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 -0.90 0.00 0.61 -1.23 0.00 0.00 174.94 173.42 2jwk n GLY 31 N 2.99 1.09 2.51 6.18 0.00 -1.26 -5.05 105.19 111.65 2jwk n GLY 31 Ca 0.10 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.11 0.49 0.21 1.61 3.01 -1.26 -4.71 119.74 116.97 2jwk s LYS 32 Ca 0.00 -1.13 0.06 0.00 -1.01 0.00 0.00 55.97 53.88 2jwk s LYS 32 Cb 0.00 -1.34 -0.04 0.00 -1.01 0.00 0.00 37.83 35.44 2jwk s LYS 32 CO 0.00 -1.15 0.18 0.71 0.51 0.00 0.00 175.35 175.60 2jwk s TYR 33 N 1.34 3.16 0.01 3.18 2.02 -0.89 -1.73 117.35 124.43 2jwk s TYR 33 Ca 0.15 -0.05 0.07 0.00 -0.37 0.00 0.00 57.07 56.87 2jwk s TYR 33 Cb -0.21 -1.47 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 2jwk s TYR 33 CO -0.10 0.52 -0.21 0.00 -1.57 0.00 0.00 175.55 174.18 2jwk s ALA 34 N -1.93 1.74 -0.04 3.71 0.00 0.28 -1.67 121.76 123.85 2jwk s ALA 34 Ca 0.32 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2jwk s ALA 34 Cb -0.09 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.64 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 -0.61 0.85 -0.28 0.00 -4.36 0.21 0.44 121.20 117.45 2jwk s ILE 35 Ca 0.08 -0.36 -0.04 0.00 -0.26 0.00 0.00 60.65 60.06 2jwk s ILE 35 Cb -0.08 -0.77 0.02 0.00 1.25 0.00 0.00 42.46 42.87 2jwk s ILE 35 CO 0.00 0.27 0.02 -0.55 0.24 0.00 0.00 174.94 174.93 2jwk s SER 36 N 0.41 4.81 -0.30 4.36 0.15 0.24 -0.02 113.70 123.35 2jwk s SER 36 Ca -0.07 -0.84 -0.02 0.00 0.70 0.00 0.00 55.95 55.72 2jwk s SER 36 Cb -0.11 -1.78 0.05 0.00 -1.71 0.00 0.00 66.02 62.46 2jwk s SER 36 CO 0.01 -0.18 0.01 -0.63 1.20 0.00 0.00 173.24 173.65 2jwk s ILE 37 N 1.41 3.05 -1.56 6.45 1.01 0.14 -0.83 121.20 130.87 2jwk s ILE 37 Ca 0.01 -1.35 -0.09 0.00 0.00 0.00 0.00 60.65 59.21 2jwk s ILE 37 Cb -0.17 -2.75 0.08 0.00 0.01 0.00 0.00 42.46 39.62 2jwk s ILE 37 CO -0.00 -0.11 0.59 0.61 0.00 0.00 0.00 174.94 176.03 2jwk n GLY 38 N 4.64 -0.33 0.97 6.18 0.00 -1.24 -0.94 105.19 114.47 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 -1.73 3.03 3.69 -0.02 0.00 -1.26 -5.03 105.19 103.86 2jwk n GLY 39 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.24 4.33 -0.16 1.61 2.56 -0.12 -5.05 118.70 121.63 2jwk s GLU 40 Ca 0.00 0.83 -0.06 0.00 0.00 0.00 0.00 54.97 55.74 2jwk s GLU 40 Cb 0.00 -3.52 -0.04 0.00 2.00 0.00 0.00 34.13 32.57 2jwk s GLU 40 CO 0.00 -0.13 0.03 0.50 -0.56 0.00 0.00 175.26 175.10 2jwk s ARG 41 N 1.51 3.73 -0.13 4.30 3.52 -1.26 0.24 118.95 130.85 2jwk s ARG 41 Ca 0.35 -0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 2jwk s ARG 41 Cb -0.17 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 2jwk s ARG 41 CO 0.14 0.36 -0.21 -0.65 -0.81 0.00 0.00 175.30 174.13 2jwk s GLN 42 N 0.11 3.10 0.25 5.12 -0.21 0.98 -4.96 119.66 124.05 2jwk s GLN 42 Ca 0.03 -0.83 0.11 0.00 0.02 0.00 0.00 55.36 54.69 2jwk s GLN 42 Cb -0.13 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.39 2jwk s GLN 42 CO 0.01 0.08 -0.14 -1.21 -2.12 0.00 0.00 175.29 171.91 2jwk s GLU 43 N 0.61 1.86 -0.05 2.91 2.02 -1.26 -0.62 118.70 124.18 2jwk s GLU 43 Ca -0.11 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.29 2jwk s GLU 43 Cb -0.16 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.14 2jwk s GLU 43 CO 0.03 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.08 2jwk n GLY 44 N -0.51 0.37 3.85 -1.39 0.00 -1.21 -5.02 105.19 101.28 2jwk n GLY 44 Ca -0.07 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.15 4.13 0.62 0.99 1.43 -0.67 -4.92 118.68 120.11 2jwk s LEU 45 Ca 0.00 1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2jwk s LEU 45 Cb 0.00 -3.88 0.06 0.00 0.03 0.00 0.00 46.19 42.40 2jwk s LEU 45 CO 0.00 -0.13 0.87 0.42 0.23 0.00 0.00 176.35 177.74 2jwk s THR 46 N -1.86 2.48 0.11 5.49 -4.23 -1.26 -2.09 115.64 114.27 2jwk s THR 46 Ca 0.50 -0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 60.29 2jwk s THR 46 Cb -0.11 -2.91 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 2jwk s THR 46 CO 0.19 0.00 1.51 -0.33 -0.54 0.00 0.00 174.62 175.45 2jwk h GLU 47 N -0.19 0.66 -0.67 3.99 5.08 -1.99 0.45 114.58 121.92 2jwk h GLU 47 Ca -0.41 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 57.63 2jwk h GLU 47 Cb 1.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2jwk h GLU 47 CO 0.51 0.83 0.19 1.49 -1.00 0.00 0.00 179.01 181.03 2jwk h GLU 48 N 0.45 1.03 -0.21 2.33 4.81 -2.00 -1.92 114.58 119.08 2jwk h GLU 48 Ca 0.09 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 2jwk h GLU 48 Cb 0.59 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2jwk h GLU 48 CO 0.03 0.90 -0.26 0.52 -0.73 0.00 0.00 179.01 179.47 2jwk h MET 49 N 0.99 0.55 -0.52 1.92 2.86 -1.93 -2.37 114.93 116.43 2jwk h MET 49 Ca 0.21 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2jwk h MET 49 Cb 0.31 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2jwk h MET 49 CO -0.00 0.91 0.35 -0.24 1.06 0.00 0.00 176.91 178.98 2jwk h VAL 50 N 0.22 1.10 0.04 -2.22 3.04 -0.75 -1.90 116.25 115.78 2jwk h VAL 50 Ca 0.03 -0.22 -0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2jwk h VAL 50 Cb 0.83 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2jwk h VAL 50 CO 0.06 0.12 -0.02 0.74 -1.01 0.00 0.00 177.57 177.46 2jwk h THR 51 N 0.66 1.09 -0.39 3.17 2.02 -1.24 -0.37 112.91 117.85 2jwk h THR 51 Ca 0.20 -0.41 0.08 0.00 0.77 0.00 0.00 66.41 67.06 2jwk h THR 51 Cb 0.00 1.36 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 2jwk h THR 51 CO -0.05 0.10 -0.18 -0.61 0.37 0.00 0.00 175.52 175.16 2jwk h GLN 52 N -0.23 -0.10 -0.13 6.66 4.15 -0.84 0.19 115.11 124.81 2jwk h GLN 52 Ca -0.01 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2jwk h GLN 52 Cb 0.21 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2jwk h GLN 52 CO 0.01 -0.07 0.02 -0.07 -1.93 0.00 0.00 178.83 176.79 2jwk h LEU 53 N -0.11 0.21 -0.67 -2.39 3.38 -1.33 -0.66 115.31 113.74 2jwk h LEU 53 Ca 0.19 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2jwk h LEU 53 Cb 0.40 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2jwk h LEU 53 CO -0.46 0.41 0.39 -1.28 0.09 0.00 0.00 178.44 177.59 2jwk h SER 54 N -0.00 0.60 -0.32 -0.43 0.87 -0.58 0.27 113.55 113.95 2jwk h SER 54 Ca 0.04 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 2jwk h SER 54 Cb 0.29 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2jwk h SER 54 CO 0.00 0.39 -0.03 0.03 -0.53 0.00 0.00 176.83 176.69 2jwk h ARG 55 N 0.73 0.59 -0.72 2.24 2.47 -0.57 -1.47 114.38 117.65 2jwk h ARG 55 Ca 0.29 -0.20 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 2jwk h ARG 55 Cb 0.14 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 2jwk h ARG 55 CO -0.16 0.74 0.23 0.37 0.56 0.00 0.00 179.97 181.71 2jwk h GLN 56 N 0.37 1.11 -0.35 0.04 4.15 -0.71 -0.73 115.11 118.99 2jwk h GLN 56 Ca 0.09 -0.23 -0.15 0.00 0.77 0.00 0.00 58.65 59.13 2jwk h GLN 56 Cb 0.50 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2jwk h GLN 56 CO 0.02 0.95 -0.37 0.93 -1.93 0.00 0.00 178.83 178.43 2jwk h GLU 57 N 1.05 0.82 -0.05 1.69 4.39 -0.89 -2.29 114.58 119.30 2jwk h GLU 57 Ca 0.23 -0.41 -0.12 0.00 0.34 0.00 0.00 59.36 59.41 2jwk h GLU 57 Cb 0.29 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2jwk h GLU 57 CO -0.01 1.05 -0.50 0.35 -1.16 0.00 0.00 179.01 178.73 2jwk h PHE 58 N 0.68 0.14 0.00 4.33 3.57 -1.05 -0.13 116.94 124.48 2jwk h PHE 58 Ca 0.06 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 2jwk h PHE 58 Cb 0.92 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 2jwk h PHE 58 CO 0.05 0.60 -0.63 0.22 -2.23 0.00 0.00 178.31 176.32 2jwk h ASP 59 N 0.09 0.00 0.39 0.41 3.58 -1.00 -2.99 116.42 116.90 2jwk h ASP 59 Ca 0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 2jwk h ASP 59 Cb 0.92 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.97 2jwk h ASP 59 CO 0.07 0.63 -1.60 0.11 -2.88 0.00 0.00 179.24 175.57 2jwk h LYS 60 N 0.00 0.28 -3.63 0.28 1.57 -1.28 -3.42 116.57 110.36 2jwk h LYS 60 Ca -0.01 -0.47 -0.61 0.00 -1.87 0.00 0.00 60.65 57.70 2jwk h LYS 60 Cb 1.35 0.18 -0.40 0.00 0.08 0.00 0.00 32.23 33.43 2jwk h LYS 60 CO 0.08 1.14 -0.74 -0.51 -0.57 0.00 0.00 179.45 178.85 2jwk s ASP 61 N -7.02 4.09 0.00 0.86 1.01 -0.07 -4.98 116.67 110.55 2jwk s ASP 61 Ca -0.11 -2.00 0.17 0.00 0.71 0.00 0.00 52.55 51.32 2jwk s ASP 61 Cb 0.07 -1.07 0.85 0.00 1.01 0.00 0.00 42.92 43.77 2jwk s ASP 61 CO 0.85 -0.37 1.51 0.59 0.21 0.00 0.00 175.17 177.96 2jwk n ASN 62 N 4.38 0.00 -0.59 0.27 4.13 -1.13 -2.73 115.26 119.59 2jwk n ASN 62 Ca 0.02 0.09 0.09 0.00 1.68 0.00 0.00 54.58 56.45 2jwk n ASN 62 Cb 0.40 -0.31 0.21 0.00 -1.54 0.00 0.00 39.78 38.54 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 -1.31 3.29 -4.62 6.41 5.03 -1.26 -5.01 115.26 117.80 2jwk n ASN 63 Ca 0.08 -2.96 -0.43 0.00 0.87 0.00 0.00 54.58 52.14 2jwk n ASN 63 Cb 0.14 -0.48 -0.03 0.00 -1.02 0.00 0.00 39.78 38.40 2jwk n ASN 63 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2jwk s THR 64 N -2.70 3.54 0.08 3.41 -4.23 -1.10 -4.27 115.64 110.37 2jwk s THR 64 Ca 0.37 0.59 -0.31 0.00 -1.18 0.00 0.00 61.69 61.16 2jwk s THR 64 Cb 0.30 -3.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.45 2jwk s THR 64 CO 0.07 -0.29 1.71 -0.22 -0.54 0.00 0.00 174.62 175.35 2jwk s LEU 65 N 5.86 4.38 -0.15 4.79 2.96 -1.26 -4.83 118.68 130.42 2jwk s LEU 65 Ca 0.77 2.57 -0.02 0.00 -0.22 0.00 0.00 54.13 57.22 2jwk s LEU 65 Cb -0.26 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.85 2jwk s LEU 65 CO 0.32 -0.92 -0.07 -0.36 -1.32 0.00 0.00 176.35 173.99 2jwk s PHE 66 N 2.68 2.94 -0.01 5.38 0.08 -1.26 -0.79 117.98 127.00 2jwk s PHE 66 Ca 0.76 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 57.35 2jwk s PHE 66 Cb -0.42 -1.93 -0.00 0.00 -0.57 0.00 0.00 43.02 40.10 2jwk s PHE 66 CO 0.34 -0.15 -0.08 -0.48 -0.10 0.00 0.00 175.22 174.75 2jwk s LEU 67 N 0.46 1.97 -0.04 -0.37 0.05 -0.92 -5.00 118.68 114.84 2jwk s LEU 67 Ca -0.06 -0.14 0.05 0.00 0.05 0.00 0.00 54.13 54.02 2jwk s LEU 67 Cb -0.15 -0.41 -0.00 0.00 -2.05 0.00 0.00 46.19 43.57 2jwk s LEU 67 CO 0.03 0.09 -0.18 0.54 -0.55 0.00 0.00 176.35 176.29 2jwk s VAL 68 N -0.12 1.46 0.02 1.48 0.11 -1.26 -1.82 120.40 120.26 2jwk s VAL 68 Ca 0.02 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 2jwk s VAL 68 Cb -0.04 -1.25 -0.01 0.00 -1.53 0.00 0.00 36.38 33.55 2jwk s VAL 68 CO -0.00 0.42 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.31 2jwk s GLY 69 N -0.03 0.27 0.17 6.54 0.00 -0.64 -5.00 107.32 108.64 2jwk s GLY 69 Ca -0.02 -0.43 0.11 0.00 0.00 0.00 0.00 44.72 44.38 2jwk s GLY 69 CO 0.02 -0.45 -0.24 -0.32 0.00 0.00 0.00 173.10 172.11 2jwk s GLY 70 N -0.85 1.60 0.78 0.20 0.00 -1.26 -0.78 107.32 107.01 2jwk s GLY 70 Ca -0.06 -1.55 -0.12 0.00 0.00 0.00 0.00 44.72 42.99 2jwk s GLY 70 CO -0.00 -1.57 1.11 0.00 0.00 0.00 0.00 173.10 172.64 2jwk s ALA 71 N -1.55 2.43 0.47 3.20 0.00 -1.00 -4.91 121.76 120.39 2jwk s ALA 71 Ca 0.17 -0.32 0.16 0.00 0.00 0.00 0.00 51.96 51.97 2jwk s ALA 71 Cb -0.08 -3.06 1.13 0.00 0.00 0.00 0.00 23.12 21.11 2jwk s ALA 71 CO 0.08 -1.61 2.02 0.87 0.00 0.00 0.00 175.76 177.13 2jwk h LYS 72 N -1.00 0.26 -0.00 0.00 6.56 -1.98 -0.41 116.57 119.99 2jwk h LYS 72 Ca -0.47 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2jwk h LYS 72 Cb 1.28 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2jwk h LYS 72 CO 0.62 0.17 -0.08 0.39 -2.06 0.00 0.00 179.45 178.49 2jwk n GLU 73 N -4.46 0.51 -2.80 3.15 1.02 -1.26 -4.84 120.64 111.96 2jwk n GLU 73 Ca 0.07 -0.11 -0.41 0.00 -0.02 0.00 0.00 57.16 56.68 2jwk n GLU 73 Cb 0.34 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 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 4.67 0.44 2.62 1.01 -0.17 -5.00 120.40 121.40 2jwk s VAL 74 Ca 0.27 1.94 -0.22 0.00 0.00 0.00 0.00 61.98 63.97 2jwk s VAL 74 Cb 0.20 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 2jwk s VAL 74 CO 0.48 0.29 1.00 -2.16 0.00 0.00 0.00 175.10 174.71 2jwk s PRO 75 N 0.27 4.08 0.24 2.72 0.04 -1.26 -4.87 135.00 136.22 2jwk s PRO 75 Ca 0.46 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.73 2jwk s PRO 75 Cb -0.22 -2.25 0.25 0.00 0.04 0.00 0.00 34.50 32.32 2jwk s PRO 75 CO 0.27 -0.18 1.81 -0.92 0.04 0.00 0.00 177.00 178.03 2jwk h TYR 76 N 1.96 1.12 -0.84 0.56 3.20 -1.97 -2.42 116.97 118.58 2jwk h TYR 76 Ca -0.49 -0.08 0.11 0.00 3.14 0.00 0.00 58.73 61.41 2jwk h TYR 76 Cb 1.20 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 39.07 2jwk h TYR 76 CO 0.59 0.85 0.54 0.93 -1.64 0.00 0.00 178.16 179.43 2jwk h GLU 77 N 1.08 0.72 -0.10 1.82 5.08 -2.00 -0.29 114.58 120.89 2jwk h GLU 77 Ca 0.25 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.40 2jwk h GLU 77 Cb 0.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2jwk h GLU 77 CO -0.02 0.48 -0.66 1.49 -1.00 0.00 0.00 179.01 179.30 2jwk h GLU 78 N 0.75 0.40 -0.74 2.33 4.57 -1.84 -2.47 114.58 117.57 2jwk h GLU 78 Ca 0.40 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 2jwk h GLU 78 Cb 0.52 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 2jwk h GLU 78 CO -0.16 0.92 0.32 0.28 -1.18 0.00 0.00 179.01 179.19 2jwk h VAL 79 N 0.29 1.24 -0.25 0.32 2.07 -0.78 -1.68 116.25 117.46 2jwk h VAL 79 Ca -0.02 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2jwk h VAL 79 Cb 1.21 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2jwk h VAL 79 CO 0.11 0.30 0.16 0.40 0.02 0.00 0.00 177.57 178.57 2jwk h ILE 80 N 1.07 1.07 -0.72 4.57 1.08 -1.03 -1.86 117.51 121.69 2jwk h ILE 80 Ca 0.25 -0.15 0.10 0.00 -0.39 0.00 0.00 64.86 64.68 2jwk h ILE 80 Cb 0.16 0.72 -0.08 0.00 -3.07 0.00 0.00 36.82 34.56 2jwk h ILE 80 CO -0.03 0.07 0.35 0.11 -0.69 0.00 0.00 178.15 177.96 2jwk h LYS 81 N 0.33 0.56 -0.12 2.37 1.57 -0.96 0.20 116.57 120.53 2jwk h LYS 81 Ca 0.09 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2jwk h LYS 81 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2jwk h LYS 81 CO -0.02 0.37 0.06 0.00 -0.57 0.00 0.00 179.45 179.29 2jwk h ALA 82 N 1.45 0.14 -0.78 3.86 0.00 -0.84 0.51 119.26 123.60 2jwk h ALA 82 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2jwk h ALA 82 Cb 0.42 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2jwk h ALA 82 CO -0.29 -0.39 0.50 -0.07 0.00 0.00 0.00 179.25 179.00 2jwk h LEU 83 N 0.13 0.91 -0.75 0.00 3.38 -0.56 -1.68 115.31 116.74 2jwk h LEU 83 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 83 Cb 0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2jwk h LEU 83 CO -0.04 0.68 0.44 -1.13 0.09 0.00 0.00 178.44 178.48 2jwk h ASN 84 N 1.07 0.92 -0.64 -0.43 -0.73 0.20 -1.93 115.58 114.03 2jwk h ASN 84 Ca 0.28 -0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.30 2jwk h ASN 84 Cb -0.09 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.24 2jwk h ASN 84 CO -0.06 0.72 0.09 -0.07 -0.37 0.00 0.00 177.43 177.75 2jwk h LEU 85 N 1.03 1.04 -0.61 0.34 3.38 -0.03 -1.37 115.31 119.09 2jwk h LEU 85 Ca 0.27 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2jwk h LEU 85 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2jwk h LEU 85 CO -0.05 1.04 0.23 -0.07 0.09 0.00 0.00 178.44 179.68 2jwk h LEU 86 N 1.01 0.86 -0.62 1.67 -0.00 -1.10 -2.51 115.31 114.62 2jwk h LEU 86 Ca 0.20 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 2jwk h LEU 86 Cb 0.45 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.86 2jwk h LEU 86 CO 0.01 0.81 0.22 -0.74 -0.00 0.00 0.00 178.44 178.74 2jwk h HIS 87 N 0.86 0.97 -0.92 1.13 2.76 -1.12 0.44 115.15 119.27 2jwk h HIS 87 Ca 0.20 -0.09 0.07 0.00 -2.20 0.00 0.00 60.37 58.35 2jwk h HIS 87 Cb 0.23 -0.29 -0.06 0.00 1.55 0.00 0.00 27.41 28.85 2jwk h HIS 87 CO 0.01 0.79 0.60 1.25 -1.30 0.00 0.00 177.93 179.28 2jwk h LEU 88 N 0.88 0.92 -1.31 0.26 5.85 -0.93 -0.43 115.31 120.54 2jwk h LEU 88 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2jwk h LEU 88 Cb 0.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.09 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 -2.39 2.50 -3.47 1.25 0.00 -0.97 -4.93 120.51 112.50 2jwk n ALA 89 Ca 0.14 -0.61 -0.20 0.00 0.00 0.00 0.00 53.44 52.77 2jwk n ALA 89 Cb 0.21 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.42 0.11 0.00 0.00 -0.17 -4.90 105.19 100.79 2jwk n GLY 90 Ca 0.11 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.50 1.36 0.91 -0.61 5.41 0.12 -5.02 119.36 117.03 2jwk n ILE 91 Ca -0.12 -0.68 0.11 0.00 1.00 0.00 0.00 62.75 63.06 2jwk n ILE 91 Cb 0.61 -0.92 0.09 0.00 -0.71 0.00 0.00 39.64 38.71 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72