#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 0.16 -4.26 1.61 2.88 -1.26 -5.07 113.62 107.68 2jwk n SER 20 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 2jwk n SER 20 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 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 -1.84 2.80 1.14 2.46 1.01 -1.26 -5.12 120.40 119.59 2jwk s VAL 21 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2jwk s VAL 21 Cb 0.00 -2.21 0.21 0.00 0.00 0.00 0.00 36.38 34.38 2jwk s VAL 21 CO 0.00 0.49 0.40 -2.65 0.00 0.00 0.00 175.10 173.35 2jwk n PRO 22 N 4.35 -2.71 -3.95 2.72 -0.02 -1.26 -4.25 135.00 129.88 2jwk n PRO 22 Ca -0.19 -0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 60.15 2jwk n PRO 22 Cb 0.51 -1.65 -0.14 0.00 -0.02 0.00 0.00 33.50 32.20 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 3.08 -0.16 -1.45 1.01 -0.46 -3.60 120.40 116.69 2jwk s VAL 23 Ca 0.49 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 2jwk s VAL 23 Cb -0.10 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2jwk s VAL 23 CO 0.47 0.44 -0.08 -0.63 0.00 0.00 0.00 175.10 175.30 2jwk s ILE 24 N 1.44 3.41 -0.20 2.22 1.09 -0.34 -2.26 121.20 126.55 2jwk s ILE 24 Ca 0.05 -0.52 -0.02 0.00 -1.10 0.00 0.00 60.65 59.07 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 -0.05 0.49 -0.10 -0.22 -0.10 0.00 0.00 174.94 174.95 2jwk s LEU 25 N 0.61 2.63 -0.18 2.97 0.20 -0.77 0.35 118.68 124.50 2jwk s LEU 25 Ca -0.05 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.27 2jwk s LEU 25 Cb -0.15 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 43.94 2jwk s LEU 25 CO 0.03 0.01 -0.03 -0.70 -0.29 0.00 0.00 176.35 175.37 2jwk s GLU 26 N 1.28 3.62 -0.27 1.98 2.56 0.19 -2.03 118.70 126.04 2jwk s GLU 26 Ca 0.03 -0.53 -0.24 0.00 0.00 0.00 0.00 54.97 54.23 2jwk s GLU 26 Cb -0.14 -2.98 -0.00 0.00 2.00 0.00 0.00 34.13 33.01 2jwk s GLU 26 CO -0.05 0.12 0.83 0.08 -0.56 0.00 0.00 175.26 175.68 2jwk s VAL 27 N 0.69 4.79 -0.08 3.70 1.01 -0.09 -0.72 120.40 129.70 2jwk s VAL 27 Ca -0.01 1.44 0.21 0.00 0.00 0.00 0.00 61.98 63.62 2jwk s VAL 27 Cb -0.14 -4.15 -0.30 0.00 0.00 0.00 0.00 36.38 31.78 2jwk s VAL 27 CO 0.02 -0.17 0.37 0.00 0.00 0.00 0.00 175.10 175.33 2jwk n ALA 28 N 6.15 2.40 -2.00 5.51 0.00 -0.95 -2.47 120.51 129.15 2jwk n ALA 28 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2jwk n ALA 28 Cb 0.48 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 1.41 -0.17 3.13 0.00 0.00 -1.22 -4.77 105.19 103.57 2jwk n GLY 29 Ca -0.13 0.57 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 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 2.92 3.44 0.00 -0.61 -1.09 -1.26 -4.60 121.20 120.00 2jwk s ILE 30 Ca 0.00 -2.09 0.00 0.00 -2.23 0.00 0.00 60.65 56.33 2jwk s ILE 30 Cb 0.00 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 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 4.55 1.43 3.59 6.18 0.00 -1.26 -5.03 105.19 114.65 2jwk n GLY 31 Ca -0.02 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 -0.24 3.73 0.06 1.61 3.01 -1.26 -4.15 119.74 122.51 2jwk s LYS 32 Ca 0.00 -0.42 0.01 0.00 -1.01 0.00 0.00 55.97 54.54 2jwk s LYS 32 Cb 0.00 -3.04 -0.04 0.00 -1.01 0.00 0.00 37.83 33.74 2jwk s LYS 32 CO 0.00 0.32 -0.05 0.71 0.51 0.00 0.00 175.35 176.84 2jwk s TYR 33 N 0.20 0.63 0.01 3.18 2.02 -0.84 -2.24 117.35 120.31 2jwk s TYR 33 Ca 0.01 -0.86 0.06 0.00 -0.37 0.00 0.00 57.07 55.91 2jwk s TYR 33 Cb -0.13 -0.41 -0.02 0.00 -0.40 0.00 0.00 41.96 41.00 2jwk s TYR 33 CO 0.02 -0.23 -0.20 0.00 -1.57 0.00 0.00 175.55 173.56 2jwk s ALA 34 N -3.13 1.67 -0.03 3.71 0.00 0.10 -1.87 121.76 122.22 2jwk s ALA 34 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2jwk s ALA 34 Cb 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2jwk s ALA 34 CO -0.06 0.39 -0.09 0.96 0.00 0.00 0.00 175.76 176.97 2jwk s ILE 35 N -0.60 0.79 -0.27 0.00 -4.36 0.08 0.55 121.20 117.39 2jwk s ILE 35 Ca 0.07 -0.35 -0.04 0.00 -0.26 0.00 0.00 60.65 60.08 2jwk s ILE 35 Cb -0.08 -0.71 0.02 0.00 1.25 0.00 0.00 42.46 42.94 2jwk s ILE 35 CO 0.00 0.25 -0.00 -0.55 0.24 0.00 0.00 174.94 174.88 2jwk s SER 36 N 0.29 4.67 -0.30 4.36 0.15 0.15 0.24 113.70 123.26 2jwk s SER 36 Ca -0.05 -0.80 -0.02 0.00 0.70 0.00 0.00 55.95 55.78 2jwk s SER 36 Cb -0.10 -1.76 0.05 0.00 -1.71 0.00 0.00 66.02 62.51 2jwk s SER 36 CO 0.01 -0.15 0.01 -0.63 1.20 0.00 0.00 173.24 173.67 2jwk s ILE 37 N 1.40 3.05 -1.54 6.45 1.01 0.17 -1.20 121.20 130.55 2jwk s ILE 37 Ca 0.01 -1.35 -0.08 0.00 0.00 0.00 0.00 60.65 59.23 2jwk s ILE 37 Cb -0.17 -2.75 0.07 0.00 0.01 0.00 0.00 42.46 39.62 2jwk s ILE 37 CO -0.01 -0.10 0.58 0.61 0.00 0.00 0.00 174.94 176.01 2jwk n GLY 38 N 4.64 -0.32 1.03 6.18 0.00 -1.24 -1.10 105.19 114.37 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 -1.76 3.05 3.71 -0.02 0.00 -1.26 -5.03 105.19 103.87 2jwk n GLY 39 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.26 4.35 -0.12 1.61 2.02 -0.26 -5.06 118.70 120.98 2jwk s GLU 40 Ca 0.00 0.62 -0.03 0.00 0.02 0.00 0.00 54.97 55.58 2jwk s GLU 40 Cb 0.00 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 2jwk s GLU 40 CO 0.00 0.05 -0.01 0.50 0.02 0.00 0.00 175.26 175.82 2jwk s ARG 41 N 0.93 3.29 -0.13 1.61 3.00 -1.26 0.44 118.95 126.82 2jwk s ARG 41 Ca 0.30 -0.44 0.02 0.00 -1.00 0.00 0.00 55.73 54.62 2jwk s ARG 41 Cb -0.16 -2.87 0.00 0.00 0.00 0.00 0.00 34.95 31.93 2jwk s ARG 41 CO 0.13 0.52 -0.21 -0.65 0.00 0.00 0.00 175.30 175.09 2jwk s GLN 42 N -0.38 3.08 0.23 5.12 -0.21 0.14 -4.96 119.66 122.67 2jwk s GLN 42 Ca 0.07 -0.84 0.11 0.00 0.02 0.00 0.00 55.36 54.72 2jwk s GLN 42 Cb -0.12 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.41 2jwk s GLN 42 CO 0.02 0.06 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.10 2jwk s GLU 43 N 0.65 1.83 0.00 2.91 2.12 -1.26 -0.74 118.70 124.20 2jwk s GLU 43 Ca -0.11 -1.51 0.00 0.00 0.36 0.00 0.00 54.97 53.71 2jwk s GLU 43 Cb -0.16 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.27 2jwk s GLU 43 CO 0.02 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 2jwk n GLY 44 N -0.23 0.46 3.88 -1.50 0.00 -1.22 -5.03 105.19 101.56 2jwk n GLY 44 Ca -0.09 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 4.08 0.59 0.99 1.43 -0.78 -4.92 118.68 120.07 2jwk s LEU 45 Ca 0.00 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2jwk s LEU 45 Cb 0.00 -3.71 0.05 0.00 0.03 0.00 0.00 46.19 42.56 2jwk s LEU 45 CO 0.00 -0.16 0.83 0.42 0.23 0.00 0.00 176.35 177.67 2jwk s THR 46 N -1.98 2.53 0.13 5.49 -4.23 -1.26 -1.99 115.64 114.33 2jwk s THR 46 Ca 0.47 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 60.22 2jwk s THR 46 Cb -0.11 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 2jwk s THR 46 CO 0.25 0.00 1.55 1.05 -0.54 0.00 0.00 174.62 176.92 2jwk h GLU 47 N -0.08 0.81 -0.70 3.99 4.11 -1.99 0.07 114.58 120.78 2jwk h GLU 47 Ca -0.41 -0.30 -0.06 0.00 0.07 0.00 0.00 59.36 58.65 2jwk h GLU 47 Cb 1.29 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2jwk h GLU 47 CO 0.50 0.92 0.18 0.93 0.07 0.00 0.00 179.01 181.61 2jwk h GLU 48 N 0.63 1.10 -0.22 1.06 5.08 -1.96 -1.90 114.58 118.37 2jwk h GLU 48 Ca 0.11 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 2jwk h GLU 48 Cb 0.61 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jwk h GLU 48 CO 0.04 0.96 -0.26 0.52 -1.00 0.00 0.00 179.01 179.27 2jwk h MET 49 N 1.05 0.57 -0.48 2.33 2.86 -1.93 -2.40 114.93 116.93 2jwk h MET 49 Ca 0.22 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2jwk h MET 49 Cb 0.35 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2jwk h MET 49 CO -0.00 0.91 0.32 -0.24 1.06 0.00 0.00 176.91 178.96 2jwk h VAL 50 N 0.26 1.08 -0.03 -2.22 3.04 -0.84 -1.82 116.25 115.71 2jwk h VAL 50 Ca 0.03 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2jwk h VAL 50 Cb 0.83 0.44 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2jwk h VAL 50 CO 0.06 0.11 0.01 0.74 -1.01 0.00 0.00 177.57 177.48 2jwk h THR 51 N 0.58 1.17 -0.36 3.17 2.02 -1.21 -0.57 112.91 117.71 2jwk h THR 51 Ca 0.19 -0.50 0.08 0.00 0.77 0.00 0.00 66.41 66.95 2jwk h THR 51 Cb 0.04 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 2jwk h THR 51 CO -0.05 0.13 -0.20 -0.61 0.37 0.00 0.00 175.52 175.17 2jwk h GLN 52 N -0.15 -0.14 -0.14 6.66 4.15 -0.84 0.23 115.11 124.89 2jwk h GLN 52 Ca 0.01 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2jwk h GLN 52 Cb 0.21 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2jwk h GLN 52 CO -0.00 -0.09 0.04 -0.07 -1.93 0.00 0.00 178.83 176.78 2jwk h LEU 53 N -0.14 0.21 -0.67 -2.39 3.38 -1.33 -0.48 115.31 113.90 2jwk h LEU 53 Ca 0.18 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.96 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 -0.45 0.38 0.40 -1.28 0.09 0.00 0.00 178.44 177.59 2jwk h SER 54 N 0.04 0.65 -0.35 -0.43 0.87 -0.63 -0.70 113.55 112.98 2jwk h SER 54 Ca 0.04 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2jwk h SER 54 Cb 0.25 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2jwk h SER 54 CO 0.00 0.44 0.02 0.03 -0.53 0.00 0.00 176.83 176.79 2jwk h ARG 55 N 0.78 0.62 -0.67 2.24 2.47 -0.46 -1.14 114.38 118.22 2jwk h ARG 55 Ca 0.27 -0.19 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 2jwk h ARG 55 Cb 0.06 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 2jwk h ARG 55 CO -0.12 0.72 0.25 0.37 0.56 0.00 0.00 179.97 181.74 2jwk h GLN 56 N 0.43 1.01 -0.30 0.04 5.75 -0.73 0.21 115.11 121.52 2jwk h GLN 56 Ca 0.10 -0.19 -0.15 0.00 -0.15 0.00 0.00 58.65 58.26 2jwk h GLN 56 Cb 0.43 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2jwk h GLN 56 CO 0.01 0.85 -0.43 0.93 -2.65 0.00 0.00 178.83 177.55 2jwk h GLU 57 N 0.95 0.76 -0.01 1.69 4.39 -1.07 -2.33 114.58 118.96 2jwk h GLU 57 Ca 0.22 -0.41 -0.11 0.00 0.34 0.00 0.00 59.36 59.40 2jwk h GLU 57 Cb 0.23 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2jwk h GLU 57 CO -0.01 1.04 -0.51 0.35 -1.16 0.00 0.00 179.01 178.71 2jwk h PHE 58 N 0.61 0.02 0.00 4.33 3.57 -0.97 -0.43 116.94 124.08 2jwk h PHE 58 Ca 0.04 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 2jwk h PHE 58 Cb 0.98 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2jwk h PHE 58 CO 0.05 0.53 -0.71 0.22 -2.23 0.00 0.00 178.31 176.16 2jwk h ASP 59 N 0.02 0.00 0.43 0.41 3.58 -0.81 -3.05 116.42 116.99 2jwk h ASP 59 Ca -0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 2jwk h ASP 59 Cb 0.91 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.96 2jwk h ASP 59 CO 0.07 0.71 -1.49 0.11 -2.88 0.00 0.00 179.24 175.77 2jwk h LYS 60 N 0.00 0.33 -3.72 0.28 1.57 -1.27 -3.42 116.57 110.33 2jwk h LYS 60 Ca -0.01 -0.56 -0.56 0.00 -1.87 0.00 0.00 60.65 57.65 2jwk h LYS 60 Cb 1.45 0.21 -0.40 0.00 0.08 0.00 0.00 32.23 33.57 2jwk h LYS 60 CO 0.09 1.23 -0.76 0.34 -0.57 0.00 0.00 179.45 179.77 2jwk s ASP 61 N -7.17 3.59 0.00 0.86 -1.08 -0.18 -5.00 116.67 107.68 2jwk s ASP 61 Ca -0.09 -1.25 0.29 0.00 -0.52 0.00 0.00 52.55 50.98 2jwk s ASP 61 Cb 0.06 -0.84 1.33 0.00 -1.46 0.00 0.00 42.92 42.02 2jwk s ASP 61 CO 0.88 -0.34 1.96 0.59 0.52 0.00 0.00 175.17 178.77 2jwk n ASN 62 N 4.88 0.00 -0.91 -0.34 4.13 -1.15 -3.40 115.26 118.47 2jwk n ASN 62 Ca -0.06 0.21 0.08 0.00 1.68 0.00 0.00 54.58 56.49 2jwk n ASN 62 Cb 0.44 -0.40 0.26 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 -1.40 3.89 -4.65 6.41 4.13 -1.26 -5.00 115.26 117.38 2jwk n ASN 63 Ca 0.10 -2.96 -0.43 0.00 1.68 0.00 0.00 54.58 52.97 2jwk n ASN 63 Cb 0.29 -0.53 -0.03 0.00 -1.54 0.00 0.00 39.78 37.97 2jwk n ASN 63 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2jwk s THR 64 N -2.73 3.71 0.06 3.41 2.01 -1.22 -4.95 115.64 115.93 2jwk s THR 64 Ca 0.42 0.83 -0.31 0.00 0.31 0.00 0.00 61.69 62.94 2jwk s THR 64 Cb 0.33 -3.62 -0.08 0.00 0.01 0.00 0.00 72.50 69.14 2jwk s THR 64 CO 0.09 -0.16 1.69 -0.22 -0.69 0.00 0.00 174.62 175.33 2jwk s LEU 65 N 4.49 4.37 -0.11 4.42 2.96 -1.26 -4.87 118.68 128.68 2jwk s LEU 65 Ca 0.71 2.50 -0.00 0.00 -0.22 0.00 0.00 54.13 57.11 2jwk s LEU 65 Cb -0.28 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.83 2jwk s LEU 65 CO 0.28 -0.91 -0.10 -0.36 -1.32 0.00 0.00 176.35 173.93 2jwk s PHE 66 N 2.93 2.86 -0.00 5.38 0.08 -1.26 -1.36 117.98 126.61 2jwk s PHE 66 Ca 0.75 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 57.42 2jwk s PHE 66 Cb -0.40 -1.82 -0.00 0.00 -0.57 0.00 0.00 43.02 40.23 2jwk s PHE 66 CO 0.33 -0.04 -0.05 -0.48 -0.10 0.00 0.00 175.22 174.88 2jwk s LEU 67 N 0.03 2.02 -0.09 -0.37 0.05 -0.96 -5.01 118.68 114.35 2jwk s LEU 67 Ca -0.03 -0.11 0.03 0.00 0.05 0.00 0.00 54.13 54.07 2jwk s LEU 67 Cb -0.14 -0.26 0.01 0.00 -2.05 0.00 0.00 46.19 43.75 2jwk s LEU 67 CO 0.04 0.05 -0.20 -0.69 -0.55 0.00 0.00 176.35 175.00 2jwk s VAL 68 N -0.18 1.74 0.03 1.48 1.01 -1.26 -1.84 120.40 121.38 2jwk s VAL 68 Ca 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2jwk s VAL 68 Cb -0.02 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2jwk s VAL 68 CO -0.00 0.49 -0.07 -0.83 0.00 0.00 0.00 175.10 174.69 2jwk s GLY 69 N 0.50 0.41 0.18 4.51 0.00 -0.86 -5.01 107.32 107.05 2jwk s GLY 69 Ca -0.16 -0.58 0.10 0.00 0.00 0.00 0.00 44.72 44.07 2jwk s GLY 69 CO 0.06 -0.61 -0.21 -0.32 0.00 0.00 0.00 173.10 172.03 2jwk s GLY 70 N -1.11 1.54 0.71 0.20 0.00 -1.26 -0.91 107.32 106.49 2jwk s GLY 70 Ca -0.06 -1.57 -0.11 0.00 0.00 0.00 0.00 44.72 42.97 2jwk s GLY 70 CO 0.00 -1.61 1.08 0.00 0.00 0.00 0.00 173.10 172.57 2jwk s ALA 71 N -1.92 2.80 0.46 3.20 0.00 -1.03 -4.93 121.76 120.34 2jwk s ALA 71 Ca 0.18 -0.25 0.16 0.00 0.00 0.00 0.00 51.96 52.05 2jwk s ALA 71 Cb -0.07 -3.06 1.12 0.00 0.00 0.00 0.00 23.12 21.11 2jwk s ALA 71 CO 0.08 -1.18 2.01 0.87 0.00 0.00 0.00 175.76 177.54 2jwk h LYS 72 N -0.69 0.28 -0.00 0.00 6.56 -1.98 -0.26 116.57 120.49 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 1.24 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2jwk h LYS 72 CO 0.62 0.19 -0.02 -1.91 -2.06 0.00 0.00 179.45 176.27 2jwk n GLU 73 N -4.46 0.47 -3.22 3.15 0.00 -1.26 -4.79 120.64 110.53 2jwk n GLU 73 Ca 0.08 -0.03 -0.39 0.00 0.00 0.00 0.00 57.16 56.82 2jwk n GLU 73 Cb 0.36 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.25 2jwk n GLU 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2jwk s VAL 74 N -2.56 5.10 0.62 6.31 1.01 -0.11 -4.98 120.40 125.79 2jwk s VAL 74 Ca 0.29 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.27 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 0.47 0.33 1.07 -2.16 0.00 0.00 0.00 175.10 174.80 2jwk s PRO 75 N 0.50 3.14 0.32 2.72 0.04 -1.26 -4.82 135.00 135.64 2jwk s PRO 75 Ca 0.30 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.57 2jwk s PRO 75 Cb -0.16 -2.01 0.55 0.00 0.04 0.00 0.00 34.50 32.92 2jwk s PRO 75 CO 0.14 -0.95 1.85 -0.92 0.04 0.00 0.00 177.00 177.16 2jwk h TYR 76 N 0.15 0.59 -0.81 0.56 3.20 -1.97 -2.14 116.97 116.56 2jwk h TYR 76 Ca -0.46 -0.06 0.09 0.00 3.14 0.00 0.00 58.73 61.43 2jwk h TYR 76 Cb 1.22 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 2jwk h TYR 76 CO 0.58 0.58 0.53 0.93 -1.64 0.00 0.00 178.16 179.14 2jwk h GLU 77 N 0.54 0.75 -0.16 1.82 4.39 -2.00 -0.32 114.58 119.61 2jwk h GLU 77 Ca 0.11 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.61 2jwk h GLU 77 Cb 0.35 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2jwk h GLU 77 CO 0.01 0.50 -0.57 0.93 -1.16 0.00 0.00 179.01 178.72 2jwk h GLU 78 N 0.78 0.51 -0.84 2.33 3.07 -1.77 -2.51 114.58 116.14 2jwk h GLU 78 Ca 0.37 -0.33 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2jwk h GLU 78 Cb 0.40 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 2jwk h GLU 78 CO -0.14 0.94 0.46 0.28 -1.40 0.00 0.00 179.01 179.14 2jwk h VAL 79 N 0.38 1.25 -0.12 3.13 2.07 -0.84 -1.59 116.25 120.53 2jwk h VAL 79 Ca 0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2jwk h VAL 79 Cb 1.11 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2jwk h VAL 79 CO 0.10 0.28 0.07 0.40 0.02 0.00 0.00 177.57 178.45 2jwk h ILE 80 N 1.18 1.03 -0.68 4.57 1.08 -0.99 -1.93 117.51 121.76 2jwk h ILE 80 Ca 0.30 -0.05 0.10 0.00 -0.39 0.00 0.00 64.86 64.81 2jwk h ILE 80 Cb 0.03 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 34.57 2jwk h ILE 80 CO -0.05 0.03 0.31 0.50 -0.69 0.00 0.00 178.15 178.25 2jwk h LYS 81 N 0.15 0.50 -0.16 2.37 3.64 -0.98 0.32 116.57 122.42 2jwk h LYS 81 Ca 0.04 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2jwk h LYS 81 Cb -0.01 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2jwk h LYS 81 CO -0.01 0.33 0.05 0.00 -2.27 0.00 0.00 179.45 177.55 2jwk h ALA 82 N 1.44 0.17 -0.53 5.00 0.00 -0.91 0.16 119.26 124.59 2jwk h ALA 82 Ca 0.34 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2jwk h ALA 82 Cb 0.41 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2jwk h ALA 82 CO -0.30 -0.39 0.24 -0.07 0.00 0.00 0.00 179.25 178.73 2jwk h LEU 83 N 0.12 0.68 -0.67 0.00 3.38 -0.65 -2.01 115.31 116.16 2jwk h LEU 83 Ca 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jwk h LEU 83 Cb 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2jwk h LEU 83 CO -0.07 0.59 0.35 -1.13 0.09 0.00 0.00 178.44 178.27 2jwk h ASN 84 N 0.75 0.84 -0.64 -0.43 -0.73 0.76 -1.86 115.58 114.27 2jwk h ASN 84 Ca 0.19 -0.11 -0.06 0.00 1.87 0.00 0.00 56.30 58.20 2jwk h ASN 84 Cb 0.10 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.45 2jwk h ASN 84 CO -0.02 0.71 0.20 -0.07 -0.37 0.00 0.00 177.43 177.87 2jwk h LEU 85 N 0.91 0.96 -0.60 0.34 3.38 -0.02 -1.37 115.31 118.91 2jwk h LEU 85 Ca 0.23 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 85 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2jwk h LEU 85 CO -0.04 0.91 0.20 -0.07 0.09 0.00 0.00 178.44 179.53 2jwk h LEU 86 N 0.99 0.87 -0.63 1.67 -0.00 -1.12 -2.62 115.31 114.46 2jwk h LEU 86 Ca 0.22 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.88 57.87 2jwk h LEU 86 Cb 0.30 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.71 2jwk h LEU 86 CO -0.01 0.83 0.27 -0.74 -0.00 0.00 0.00 178.44 178.80 2jwk h HIS 87 N 0.85 0.94 -0.89 1.13 2.76 -0.96 0.29 115.15 119.27 2jwk h HIS 87 Ca 0.20 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 2jwk h HIS 87 Cb 0.27 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 28.88 2jwk h HIS 87 CO 0.02 0.73 0.58 -0.07 -1.30 0.00 0.00 177.93 177.88 2jwk h LEU 88 N 0.88 0.89 -1.40 0.26 4.07 -0.96 -0.67 115.31 118.38 2jwk h LEU 88 Ca 0.21 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2jwk h LEU 88 Cb 0.17 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.72 2jwk h LEU 88 CO -0.02 0.57 0.00 0.00 -1.08 0.00 0.00 178.44 177.91 2jwk n ALA 89 N -2.40 2.52 -3.43 1.53 0.00 -1.02 -4.93 120.51 112.78 2jwk n ALA 89 Ca 0.13 -0.65 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 2jwk n ALA 89 Cb 0.20 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.74 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 0.99 -0.38 0.12 0.00 0.00 -0.26 -4.92 105.19 100.74 2jwk n GLY 90 Ca 0.12 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.43 1.36 -0.63 -0.61 5.41 0.06 -5.02 119.36 115.51 2jwk n ILE 91 Ca -0.11 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.08 2jwk n ILE 91 Cb 0.60 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.29 2jwk n ILE 91 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84