#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 -0.11 -3.45 1.61 0.87 -2.03 -3.45 113.55 106.99 2jwk h SER 20 Ca 0.00 -0.44 -0.38 0.00 -1.23 0.00 0.00 61.79 59.74 2jwk h SER 20 Cb 0.00 0.03 -0.34 0.00 -0.44 0.00 0.00 62.40 61.64 2jwk h SER 20 CO 0.00 0.43 -0.76 -0.69 -0.53 0.00 0.00 176.83 175.28 2jwk s VAL 21 N -3.82 0.35 0.33 2.23 1.01 -1.26 -5.01 120.40 114.22 2jwk s VAL 21 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2jwk s VAL 21 Cb 0.01 -0.42 0.06 0.00 0.00 0.00 0.00 36.38 36.02 2jwk s VAL 21 CO 0.58 0.19 0.13 -2.65 0.00 0.00 0.00 175.10 173.36 2jwk n PRO 22 N 4.22 -0.08 -3.72 2.72 -0.02 -1.26 -2.67 135.00 134.19 2jwk n PRO 22 Ca -0.23 -0.22 -0.38 0.00 -2.02 0.00 0.00 63.50 60.65 2jwk n PRO 22 Cb 0.51 -0.49 -0.12 0.00 -0.02 0.00 0.00 33.50 33.37 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 -1.00 4.22 -0.16 -1.45 1.01 -0.11 -3.01 120.40 119.91 2jwk s VAL 23 Ca 0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 2jwk s VAL 23 Cb -0.02 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2jwk s VAL 23 CO 0.08 0.07 -0.08 -0.63 0.00 0.00 0.00 175.10 174.54 2jwk s ILE 24 N 1.54 3.41 -0.19 2.22 1.09 0.20 -2.09 121.20 127.39 2jwk s ILE 24 Ca 0.03 -0.52 -0.01 0.00 -1.10 0.00 0.00 60.65 59.05 2jwk s ILE 24 Cb -0.17 -2.48 0.00 0.00 -1.06 0.00 0.00 42.46 38.75 2jwk s ILE 24 CO 0.04 0.49 -0.12 -0.22 -0.10 0.00 0.00 174.94 175.03 2jwk s LEU 25 N 0.64 2.57 -0.17 2.97 0.20 -0.66 0.87 118.68 125.09 2jwk s LEU 25 Ca -0.05 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.26 2jwk s LEU 25 Cb -0.15 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 2jwk s LEU 25 CO 0.03 0.02 -0.05 -1.61 -0.29 0.00 0.00 176.35 174.44 2jwk s GLU 26 N 1.24 3.55 -0.43 1.98 2.02 0.19 -1.57 118.70 125.67 2jwk s GLU 26 Ca 0.03 -0.58 -0.25 0.00 0.02 0.00 0.00 54.97 54.19 2jwk s GLU 26 Cb -0.14 -2.90 0.02 0.00 0.10 0.00 0.00 34.13 31.21 2jwk s GLU 26 CO -0.05 0.11 0.89 0.08 0.02 0.00 0.00 175.26 176.31 2jwk s VAL 27 N 0.68 4.55 -0.18 2.63 1.01 0.53 -0.69 120.40 128.92 2jwk s VAL 27 Ca -0.03 0.81 0.21 0.00 0.00 0.00 0.00 61.98 62.97 2jwk s VAL 27 Cb -0.15 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 2jwk s VAL 27 CO 0.02 -0.71 0.91 0.00 0.00 0.00 0.00 175.10 175.32 2jwk n ALA 28 N 6.94 2.34 0.00 5.51 0.00 -0.89 -2.17 120.51 132.25 2jwk n ALA 28 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2jwk n ALA 28 Cb 0.48 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.26 -0.10 3.14 0.00 0.00 -1.21 -4.87 105.19 103.42 2jwk n GLY 29 Ca -0.04 0.59 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 3.55 0.00 -0.61 -1.09 -1.26 -4.59 121.20 117.19 2jwk s ILE 30 Ca 0.00 -1.99 0.00 0.00 -2.23 0.00 0.00 60.65 56.43 2jwk s ILE 30 Cb 0.00 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 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 4.67 1.47 3.56 6.18 0.00 -1.26 -5.02 105.19 114.79 2jwk n GLY 31 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.15 3.68 0.06 1.61 3.01 -1.26 -4.34 119.74 122.36 2jwk s LYS 32 Ca 0.00 -0.45 0.01 0.00 -1.01 0.00 0.00 55.97 54.51 2jwk s LYS 32 Cb 0.00 -2.99 -0.04 0.00 -1.01 0.00 0.00 37.83 33.79 2jwk s LYS 32 CO 0.00 0.31 -0.05 0.71 0.51 0.00 0.00 175.35 176.83 2jwk s TYR 33 N 0.20 0.65 0.01 3.18 1.51 -0.86 -2.09 117.35 119.95 2jwk s TYR 33 Ca 0.00 -0.87 0.07 0.00 -1.01 0.00 0.00 57.07 55.26 2jwk s TYR 33 Cb -0.13 -0.42 -0.02 0.00 -0.11 0.00 0.00 41.96 41.28 2jwk s TYR 33 CO 0.02 -0.23 -0.20 0.00 -1.11 0.00 0.00 175.55 174.03 2jwk s ALA 34 N -3.18 1.68 -0.03 3.71 0.00 0.13 -1.46 121.76 122.61 2jwk s ALA 34 Ca 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2jwk s ALA 34 Cb 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2jwk s ALA 34 CO -0.06 0.39 -0.08 0.96 0.00 0.00 0.00 175.76 176.98 2jwk s ILE 35 N -0.62 0.70 -0.28 0.00 -4.36 0.67 0.55 121.20 117.87 2jwk s ILE 35 Ca 0.07 -0.29 -0.05 0.00 -0.26 0.00 0.00 60.65 60.12 2jwk s ILE 35 Cb -0.08 -0.65 0.02 0.00 1.25 0.00 0.00 42.46 43.00 2jwk s ILE 35 CO 0.00 0.23 0.02 -0.44 0.24 0.00 0.00 174.94 175.00 2jwk s SER 36 N 0.37 4.80 -0.33 4.36 0.01 0.25 0.62 113.70 123.78 2jwk s SER 36 Ca -0.06 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 56.39 2jwk s SER 36 Cb -0.10 -1.79 0.05 0.00 0.21 0.00 0.00 66.02 64.39 2jwk s SER 36 CO 0.01 -0.16 0.08 -0.63 0.41 0.00 0.00 173.24 172.95 2jwk s ILE 37 N 1.43 3.48 -1.51 1.44 1.01 0.26 -0.62 121.20 126.68 2jwk s ILE 37 Ca 0.02 -1.32 -0.07 0.00 0.00 0.00 0.00 60.65 59.28 2jwk s ILE 37 Cb -0.17 -3.02 0.06 0.00 0.01 0.00 0.00 42.46 39.34 2jwk s ILE 37 CO -0.00 -0.21 0.57 0.61 0.00 0.00 0.00 174.94 175.90 2jwk n GLY 38 N 4.73 -0.31 0.90 6.18 0.00 -1.09 -1.08 105.19 114.52 2jwk n GLY 38 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.79 3.11 3.71 -0.02 0.00 -1.26 -4.69 105.19 104.25 2jwk n GLY 39 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.35 4.32 -0.13 1.61 -6.30 -0.24 -5.07 118.70 112.54 2jwk s GLU 40 Ca 0.00 0.45 -0.04 0.00 -2.50 0.00 0.00 54.97 52.87 2jwk s GLU 40 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 34.13 30.64 2jwk s GLU 40 CO 0.00 0.10 0.03 0.50 0.02 0.00 0.00 175.26 175.91 2jwk s ARG 41 N 0.81 3.47 -0.12 4.30 3.00 -1.26 0.91 118.95 130.06 2jwk s ARG 41 Ca 0.26 -0.38 0.03 0.00 -1.00 0.00 0.00 55.73 54.64 2jwk s ARG 41 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 34.95 31.81 2jwk s ARG 41 CO 0.10 0.49 -0.23 -0.65 0.00 0.00 0.00 175.30 175.02 2jwk s GLN 42 N -0.28 3.04 0.21 5.12 -0.21 0.20 -4.97 119.66 122.78 2jwk s GLN 42 Ca 0.07 -0.86 0.11 0.00 0.02 0.00 0.00 55.36 54.69 2jwk s GLN 42 Cb -0.12 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 2jwk s GLN 42 CO 0.02 0.09 -0.16 -2.00 -2.12 0.00 0.00 175.29 171.12 2jwk s GLU 43 N 0.56 1.81 0.00 2.91 2.12 -1.26 -0.24 118.70 124.60 2jwk s GLU 43 Ca -0.13 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 53.71 2jwk s GLU 43 Cb -0.17 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.26 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 -0.11 0.51 3.87 -1.50 0.00 -1.18 -5.02 105.19 101.76 2jwk n GLY 44 Ca -0.10 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 0.61 0.99 1.43 -0.54 -4.91 118.68 120.35 2jwk s LEU 45 Ca 0.00 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2jwk s LEU 45 Cb 0.00 -3.84 0.07 0.00 0.03 0.00 0.00 46.19 42.45 2jwk s LEU 45 CO 0.00 -0.17 0.86 0.42 0.23 0.00 0.00 176.35 177.68 2jwk s THR 46 N -1.98 2.44 0.10 5.49 -4.23 -1.26 -2.02 115.64 114.18 2jwk s THR 46 Ca 0.50 -0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 60.19 2jwk s THR 46 Cb -0.11 -2.78 -0.07 0.00 1.34 0.00 0.00 72.50 70.89 2jwk s THR 46 CO 0.22 0.00 1.48 -0.33 -0.54 0.00 0.00 174.62 175.46 2jwk h GLU 47 N -0.14 0.63 -0.68 3.99 5.08 -1.99 0.83 114.58 122.29 2jwk h GLU 47 Ca -0.39 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 57.66 2jwk h GLU 47 Cb 1.29 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2jwk h GLU 47 CO 0.47 0.83 0.22 0.93 -1.00 0.00 0.00 179.01 180.47 2jwk h GLU 48 N 0.40 1.03 -0.18 2.33 5.08 -1.97 -1.84 114.58 119.43 2jwk h GLU 48 Ca 0.07 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2jwk h GLU 48 Cb 0.62 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jwk h GLU 48 CO 0.04 0.88 -0.23 0.52 -1.00 0.00 0.00 179.01 179.22 2jwk h MET 49 N 1.00 0.47 -0.60 2.33 2.86 -1.92 -2.36 114.93 116.71 2jwk h MET 49 Ca 0.22 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2jwk h MET 49 Cb 0.27 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2jwk h MET 49 CO -0.01 0.85 0.40 -0.24 1.06 0.00 0.00 176.91 178.97 2jwk h VAL 50 N 0.12 1.06 0.15 -2.22 3.04 -0.67 -1.49 116.25 116.24 2jwk h VAL 50 Ca 0.02 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 2jwk h VAL 50 Cb 0.79 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 2jwk h VAL 50 CO 0.05 0.12 -0.07 0.74 -1.01 0.00 0.00 177.57 177.41 2jwk h THR 51 N 0.67 0.94 -0.39 3.17 2.02 -1.23 0.08 112.91 118.17 2jwk h THR 51 Ca 0.25 -0.37 0.08 0.00 0.77 0.00 0.00 66.41 67.13 2jwk h THR 51 Cb 0.14 1.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.64 2jwk h THR 51 CO -0.07 0.09 -0.16 -0.61 0.37 0.00 0.00 175.52 175.14 2jwk h GLN 52 N -0.38 -0.08 -0.13 6.66 4.15 -0.83 0.14 115.11 124.64 2jwk h GLN 52 Ca -0.02 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2jwk h GLN 52 Cb 0.30 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2jwk h GLN 52 CO 0.03 -0.06 0.02 -0.07 -1.93 0.00 0.00 178.83 176.83 2jwk h LEU 53 N -0.09 0.22 -0.74 -2.39 3.38 -1.26 -0.97 115.31 113.46 2jwk h LEU 53 Ca 0.19 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jwk h LEU 53 Cb 0.38 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 2jwk h LEU 53 CO -0.45 0.43 0.47 0.28 0.09 0.00 0.00 178.44 179.25 2jwk h SER 54 N -0.00 0.76 -0.37 -0.43 0.02 -0.55 -0.51 113.55 112.47 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 0.30 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2jwk h SER 54 CO 0.00 0.52 -0.02 0.03 -1.14 0.00 0.00 176.83 176.22 2jwk h ARG 55 N 0.90 0.66 -0.67 3.45 2.47 -0.66 -1.18 114.38 119.35 2jwk h ARG 55 Ca 0.30 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.74 2jwk h ARG 55 Cb 0.04 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 2jwk h ARG 55 CO -0.12 0.78 0.16 0.37 0.56 0.00 0.00 179.97 181.71 2jwk h GLN 56 N 0.47 1.07 -0.23 0.04 4.15 -0.79 -0.30 115.11 119.53 2jwk h GLN 56 Ca 0.10 -0.25 -0.18 0.00 0.77 0.00 0.00 58.65 59.09 2jwk h GLN 56 Cb 0.49 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2jwk h GLN 56 CO 0.02 0.95 -0.58 0.93 -1.93 0.00 0.00 178.83 178.22 2jwk h GLU 57 N 1.01 0.72 -0.03 1.69 4.39 -1.02 -2.33 114.58 119.02 2jwk h GLU 57 Ca 0.21 -0.47 -0.12 0.00 0.34 0.00 0.00 59.36 59.32 2jwk h GLU 57 Cb 0.36 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2jwk h GLU 57 CO 0.00 1.10 -0.52 0.35 -1.16 0.00 0.00 179.01 178.77 2jwk h PHE 58 N 0.54 0.09 0.00 4.33 3.57 -1.00 -0.16 116.94 124.32 2jwk h PHE 58 Ca 0.00 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.32 2jwk h PHE 58 Cb 1.16 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 2jwk h PHE 58 CO 0.06 0.58 -0.75 -0.44 -2.23 0.00 0.00 178.31 175.54 2jwk h ASP 59 N 0.06 0.00 0.41 0.41 5.19 -0.97 -3.11 116.42 118.41 2jwk h ASP 59 Ca -0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.09 2jwk h ASP 59 Cb 0.95 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.47 2jwk h ASP 59 CO 0.07 0.75 -1.46 0.50 -3.12 0.00 0.00 179.24 175.98 2jwk h LYS 60 N 0.00 0.38 -4.10 3.56 3.64 -1.28 -3.42 116.57 115.34 2jwk h LYS 60 Ca -0.01 -0.64 -0.60 0.00 -1.27 0.00 0.00 60.65 58.13 2jwk h LYS 60 Cb 1.43 0.24 -0.39 0.00 -0.41 0.00 0.00 32.23 33.10 2jwk h LYS 60 CO 0.10 1.29 -0.76 -0.51 -2.27 0.00 0.00 179.45 177.29 2jwk s ASP 61 N -7.28 3.97 0.00 4.20 1.01 -0.09 -4.99 116.67 113.49 2jwk s ASP 61 Ca -0.08 -1.44 0.27 0.00 0.71 0.00 0.00 52.55 52.00 2jwk s ASP 61 Cb 0.06 -1.11 1.62 0.00 1.01 0.00 0.00 42.92 44.50 2jwk s ASP 61 CO 0.90 -0.32 2.01 0.59 0.21 0.00 0.00 175.17 178.56 2jwk n ASN 62 N 4.69 0.00 -0.18 0.27 4.13 -1.18 -3.33 115.26 119.66 2jwk n ASN 62 Ca -0.06 -1.04 0.07 0.00 1.68 0.00 0.00 54.58 55.23 2jwk n ASN 62 Cb 0.43 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.78 2jwk n ASN 62 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2jwk n ASN 63 N -0.95 1.73 -4.63 6.41 2.85 -1.26 -5.04 115.26 114.36 2jwk n ASN 63 Ca 0.20 -2.80 -0.43 0.00 -0.11 0.00 0.00 54.58 51.44 2jwk n ASN 63 Cb 0.09 -0.37 -0.03 0.00 1.24 0.00 0.00 39.78 40.72 2jwk n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2jwk s THR 64 N -2.12 3.64 0.09 -0.44 2.01 -1.21 -4.94 115.64 112.67 2jwk s THR 64 Ca 0.24 0.73 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 2jwk s THR 64 Cb 0.21 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 2jwk s THR 64 CO 0.02 -0.24 1.90 -0.11 -0.69 0.00 0.00 174.62 175.50 2jwk n LEU 65 N 8.35 4.12 -4.45 4.42 7.94 -1.26 -4.84 117.00 131.29 2jwk n LEU 65 Ca 0.19 0.95 -0.34 0.00 -1.11 0.00 0.00 56.01 55.71 2jwk n LEU 65 Cb 0.45 -1.54 -0.13 0.00 0.53 0.00 0.00 43.42 42.73 2jwk n LEU 65 CO 0.64 0.20 -0.38 -0.36 -1.11 0.00 0.00 177.39 176.38 2jwk s PHE 66 N 3.44 2.95 -0.00 1.96 0.08 -1.26 -0.93 117.98 124.22 2jwk s PHE 66 Ca 0.85 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 57.46 2jwk s PHE 66 Cb -0.46 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.05 2jwk s PHE 66 CO 0.39 -0.13 -0.04 -0.48 -0.10 0.00 0.00 175.22 174.86 2jwk s LEU 67 N 0.44 2.02 -0.04 -0.37 0.05 -0.89 -5.01 118.68 114.88 2jwk s LEU 67 Ca -0.06 -0.10 0.04 0.00 0.05 0.00 0.00 54.13 54.07 2jwk s LEU 67 Cb -0.15 -0.20 -0.00 0.00 -2.05 0.00 0.00 46.19 43.79 2jwk s LEU 67 CO 0.03 0.03 -0.16 0.54 -0.55 0.00 0.00 176.35 176.25 2jwk s VAL 68 N -0.16 1.33 0.02 1.48 0.11 -1.26 -1.66 120.40 120.26 2jwk s VAL 68 Ca 0.01 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 2jwk s VAL 68 Cb -0.02 -1.15 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 2jwk s VAL 68 CO -0.00 0.39 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.28 2jwk s GLY 69 N 0.14 0.33 0.19 6.54 0.00 -0.61 -5.00 107.32 108.90 2jwk s GLY 69 Ca -0.05 -0.51 0.10 0.00 0.00 0.00 0.00 44.72 44.26 2jwk s GLY 69 CO 0.02 -0.54 -0.22 -0.32 0.00 0.00 0.00 173.10 172.04 2jwk s GLY 70 N -1.03 1.61 0.80 0.20 0.00 -1.26 -0.35 107.32 107.29 2jwk s GLY 70 Ca -0.07 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 42.93 2jwk s GLY 70 CO -0.00 -1.64 1.11 0.00 0.00 0.00 0.00 173.10 172.58 2jwk s ALA 71 N -1.82 2.35 0.47 3.20 0.00 -0.92 -4.92 121.76 120.12 2jwk s ALA 71 Ca 0.19 -0.34 0.14 0.00 0.00 0.00 0.00 51.96 51.95 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 0.09 -1.69 2.08 0.87 0.00 0.00 0.00 175.76 177.11 2jwk h LYS 72 N -1.06 0.23 -0.00 0.00 6.56 -1.97 -0.95 116.57 119.37 2jwk h LYS 72 Ca -0.47 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2jwk h LYS 72 Cb 1.28 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2jwk h LYS 72 CO 0.62 0.15 -0.03 0.39 -2.06 0.00 0.00 179.45 178.52 2jwk n GLU 73 N -4.49 0.51 -3.06 3.15 1.02 -1.26 -4.80 120.64 111.71 2jwk n GLU 73 Ca 0.02 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.71 2jwk n GLU 73 Cb 0.17 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.52 4.93 0.55 2.62 1.01 -0.36 -5.00 120.40 121.62 2jwk s VAL 74 Ca 0.30 1.46 -0.16 0.00 0.00 0.00 0.00 61.98 63.57 2jwk s VAL 74 Cb 0.20 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2jwk s VAL 74 CO 0.46 0.32 1.02 -2.16 0.00 0.00 0.00 175.10 174.74 2jwk s PRO 75 N 0.36 3.67 0.24 2.72 0.04 -1.26 -4.85 135.00 135.93 2jwk s PRO 75 Ca 0.37 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 2jwk s PRO 75 Cb -0.19 -2.09 0.27 0.00 0.04 0.00 0.00 34.50 32.54 2jwk s PRO 75 CO 0.19 -0.51 1.77 -0.92 0.04 0.00 0.00 177.00 177.58 2jwk h TYR 76 N 0.73 1.00 -0.87 0.56 3.20 -1.97 -2.55 116.97 117.08 2jwk h TYR 76 Ca -0.47 -0.11 0.10 0.00 3.14 0.00 0.00 58.73 61.39 2jwk h TYR 76 Cb 1.20 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 39.12 2jwk h TYR 76 CO 0.61 0.83 0.56 0.93 -1.64 0.00 0.00 178.16 179.46 2jwk h GLU 77 N 0.92 0.81 -0.12 1.82 4.39 -2.00 -0.53 114.58 119.88 2jwk h GLU 77 Ca 0.20 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.70 2jwk h GLU 77 Cb 0.34 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2jwk h GLU 77 CO 0.00 0.54 -0.58 1.49 -1.16 0.00 0.00 179.01 179.30 2jwk h GLU 78 N 0.83 0.37 -0.66 2.33 4.57 -1.85 -2.43 114.58 117.74 2jwk h GLU 78 Ca 0.40 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 2jwk h GLU 78 Cb 0.44 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 2jwk h GLU 78 CO -0.17 0.84 0.22 0.28 -1.18 0.00 0.00 179.01 179.01 2jwk h VAL 79 N 0.28 1.24 -0.23 0.32 2.07 -0.87 -1.69 116.25 117.37 2jwk h VAL 79 Ca -0.00 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2jwk h VAL 79 Cb 1.09 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2jwk h VAL 79 CO 0.10 0.32 0.14 0.40 0.02 0.00 0.00 177.57 178.55 2jwk h ILE 80 N 0.97 1.08 -0.67 4.57 1.08 -1.01 -1.76 117.51 121.77 2jwk h ILE 80 Ca 0.22 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.58 2jwk h ILE 80 Cb 0.25 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 34.73 2jwk h ILE 80 CO -0.01 0.08 0.33 0.11 -0.69 0.00 0.00 178.15 177.97 2jwk h LYS 81 N 0.29 0.57 -0.32 2.37 1.79 -1.00 0.15 116.57 120.42 2jwk h LYS 81 Ca 0.08 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2jwk h LYS 81 Cb 0.01 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 2jwk h LYS 81 CO -0.02 0.38 0.20 0.00 -1.08 0.00 0.00 179.45 178.93 2jwk h ALA 82 N 1.40 0.40 -0.70 3.86 0.00 -0.91 -0.64 119.26 122.67 2jwk h ALA 82 Ca 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2jwk h ALA 82 Cb 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jwk h ALA 82 CO -0.25 -0.16 0.38 -0.07 0.00 0.00 0.00 179.25 179.15 2jwk h LEU 83 N 0.40 0.87 -0.86 0.00 3.38 -0.59 -1.90 115.31 116.61 2jwk h LEU 83 Ca 0.12 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jwk h LEU 83 Cb -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2jwk h LEU 83 CO -0.04 0.71 0.57 -1.13 0.09 0.00 0.00 178.44 178.64 2jwk h ASN 84 N 0.98 0.97 -0.58 -0.43 -0.73 0.18 -1.50 115.58 114.47 2jwk h ASN 84 Ca 0.25 -0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.31 2jwk h ASN 84 Cb 0.04 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.37 2jwk h ASN 84 CO -0.04 0.70 0.03 -0.07 -0.37 0.00 0.00 177.43 177.67 2jwk h LEU 85 N 1.15 1.00 -0.57 0.34 3.38 -0.37 -1.05 115.31 119.19 2jwk h LEU 85 Ca 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2jwk h LEU 85 Cb -0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 2jwk h LEU 85 CO -0.08 1.04 0.23 -0.07 0.09 0.00 0.00 178.44 179.64 2jwk h LEU 86 N 0.95 0.78 -0.61 1.67 -0.00 -0.98 -2.42 115.31 114.70 2jwk h LEU 86 Ca 0.18 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2jwk h LEU 86 Cb 0.51 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.94 2jwk h LEU 86 CO 0.02 0.74 0.25 -0.74 -0.00 0.00 0.00 178.44 178.72 2jwk h HIS 87 N 0.78 0.92 -0.85 1.13 2.76 -1.03 0.91 115.15 119.76 2jwk h HIS 87 Ca 0.19 -0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 2jwk h HIS 87 Cb 0.20 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 28.83 2jwk h HIS 87 CO 0.01 0.73 0.55 1.25 -1.30 0.00 0.00 177.93 179.17 2jwk h LEU 88 N 0.84 0.81 -1.46 0.26 5.85 -0.85 -0.53 115.31 120.23 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 0.19 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2jwk h LEU 88 CO -0.02 0.52 0.00 0.00 -0.34 0.00 0.00 178.44 178.60 2jwk n ALA 89 N -2.41 2.48 -3.32 1.25 0.00 -0.94 -4.93 120.51 112.64 2jwk n ALA 89 Ca 0.13 -0.69 -0.17 0.00 0.00 0.00 0.00 53.44 52.71 2jwk n ALA 89 Cb 0.23 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.77 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 1.06 -0.27 0.12 0.00 0.00 -0.21 -4.91 105.19 100.99 2jwk n GLY 90 Ca 0.13 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.16 1.48 -1.20 -0.61 5.41 0.28 -5.01 119.36 115.56 2jwk n ILE 91 Ca -0.11 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 62.97 2jwk n ILE 91 Cb 0.59 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 2jwk n ILE 91 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84