#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 -0.28 -3.59 1.61 0.87 -2.03 -3.41 113.55 106.73 2jwk h SER 20 Ca 0.00 -0.18 -0.66 0.00 -1.23 0.00 0.00 61.79 59.72 2jwk h SER 20 Cb 0.00 0.07 -0.16 0.00 -0.44 0.00 0.00 62.40 61.87 2jwk h SER 20 CO 0.00 0.04 -0.07 -0.69 -0.53 0.00 0.00 176.83 175.58 2jwk s VAL 21 N -4.95 5.00 0.55 2.23 1.01 -1.26 -5.07 120.40 117.91 2jwk s VAL 21 Ca -0.15 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 2jwk s VAL 21 Cb 0.03 -4.03 0.09 0.00 0.00 0.00 0.00 36.38 32.47 2jwk s VAL 21 CO 0.59 -0.36 0.21 -2.65 0.00 0.00 0.00 175.10 172.89 2jwk n PRO 22 N 5.80 -0.28 -4.47 2.72 -0.02 -1.26 -3.95 135.00 133.54 2jwk n PRO 22 Ca -0.05 -0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 60.74 2jwk n PRO 22 Cb 0.48 -0.83 -0.15 0.00 -0.02 0.00 0.00 33.50 32.98 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 -1.40 2.67 -0.14 -1.45 1.01 -0.36 -3.08 120.40 117.65 2jwk s VAL 23 Ca 0.16 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2jwk s VAL 23 Cb -0.03 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2jwk s VAL 23 CO 0.14 0.51 -0.16 -0.63 0.00 0.00 0.00 175.10 174.96 2jwk s ILE 24 N 0.87 2.70 -0.16 2.22 1.09 0.25 -2.08 121.20 126.09 2jwk s ILE 24 Ca -0.04 -0.77 -0.00 0.00 -1.10 0.00 0.00 60.65 58.73 2jwk s ILE 24 Cb -0.15 -2.12 -0.00 0.00 -1.06 0.00 0.00 42.46 39.12 2jwk s ILE 24 CO -0.01 0.53 -0.14 -0.22 -0.10 0.00 0.00 174.94 175.00 2jwk s LEU 25 N 0.55 2.56 -0.12 2.97 0.20 -0.73 0.68 118.68 124.79 2jwk s LEU 25 Ca -0.10 -0.44 0.02 0.00 0.69 0.00 0.00 54.13 54.30 2jwk s LEU 25 Cb -0.16 -1.59 -0.01 0.00 -0.43 0.00 0.00 46.19 44.01 2jwk s LEU 25 CO 0.04 0.09 -0.18 -1.61 -0.29 0.00 0.00 176.35 174.40 2jwk s GLU 26 N 0.79 3.21 -0.18 1.98 2.02 0.18 -1.40 118.70 125.31 2jwk s GLU 26 Ca -0.05 -0.78 -0.26 0.00 0.02 0.00 0.00 54.97 53.90 2jwk s GLU 26 Cb -0.15 -2.50 -0.01 0.00 0.10 0.00 0.00 34.13 31.57 2jwk s GLU 26 CO 0.00 0.15 0.89 0.08 0.02 0.00 0.00 175.26 176.41 2jwk s VAL 27 N 0.46 4.83 -0.07 2.63 1.01 -0.50 -0.74 120.40 128.02 2jwk s VAL 27 Ca -0.13 1.76 0.19 0.00 0.00 0.00 0.00 61.98 63.80 2jwk s VAL 27 Cb -0.17 -4.19 -0.29 0.00 0.00 0.00 0.00 36.38 31.74 2jwk s VAL 27 CO 0.05 -0.02 0.33 0.00 0.00 0.00 0.00 175.10 175.46 2jwk n ALA 28 N 5.47 2.40 -2.00 5.51 0.00 -0.85 -2.55 120.51 128.49 2jwk n ALA 28 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2jwk n ALA 28 Cb 0.48 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 1.51 -0.41 3.10 0.00 0.00 -1.21 -4.75 105.19 103.43 2jwk n GLY 29 Ca -0.11 0.61 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 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 2.88 3.40 0.00 -0.61 -1.09 -1.26 -4.61 121.20 119.90 2jwk s ILE 30 Ca 0.00 -2.48 0.00 0.00 -2.23 0.00 0.00 60.65 55.94 2jwk s ILE 30 Cb 0.00 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 2jwk s ILE 30 CO 0.00 -0.77 0.00 0.61 -1.23 0.00 0.00 174.94 173.55 2jwk n GLY 31 N 4.07 1.17 3.59 6.18 0.00 -1.26 -5.04 105.19 113.91 2jwk n GLY 31 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.36 3.43 0.05 1.61 3.01 -1.26 -4.03 119.74 122.19 2jwk s LYS 32 Ca 0.00 -0.45 -0.03 0.00 -1.01 0.00 0.00 55.97 54.48 2jwk s LYS 32 Cb 0.00 -2.90 -0.03 0.00 -1.01 0.00 0.00 37.83 33.89 2jwk s LYS 32 CO 0.00 0.43 0.02 0.71 0.51 0.00 0.00 175.35 177.02 2jwk s TYR 33 N -0.14 0.39 0.01 3.18 2.02 -0.80 -2.00 117.35 120.01 2jwk s TYR 33 Ca 0.04 -0.85 0.06 0.00 -0.37 0.00 0.00 57.07 55.95 2jwk s TYR 33 Cb -0.13 -0.29 -0.02 0.00 -0.40 0.00 0.00 41.96 41.13 2jwk s TYR 33 CO 0.02 -0.37 -0.19 0.00 -1.57 0.00 0.00 175.55 173.44 2jwk s ALA 34 N -3.39 1.57 -0.03 3.71 0.00 0.08 -1.77 121.76 121.93 2jwk s ALA 34 Ca 0.02 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2jwk s ALA 34 Cb 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2jwk s ALA 34 CO -0.08 0.37 -0.08 0.96 0.00 0.00 0.00 175.76 176.92 2jwk s ILE 35 N -0.58 0.74 -0.29 0.00 -4.36 0.06 0.50 121.20 117.26 2jwk s ILE 35 Ca 0.07 -0.33 -0.05 0.00 -0.26 0.00 0.00 60.65 60.08 2jwk s ILE 35 Cb -0.08 -0.67 0.02 0.00 1.25 0.00 0.00 42.46 42.99 2jwk s ILE 35 CO 0.00 0.24 0.04 -0.44 0.24 0.00 0.00 174.94 175.01 2jwk s SER 36 N 0.24 4.90 -0.37 4.36 0.01 0.21 0.47 113.70 123.52 2jwk s SER 36 Ca -0.04 -0.86 -0.06 0.00 1.31 0.00 0.00 55.95 56.30 2jwk s SER 36 Cb -0.09 -1.80 0.06 0.00 0.21 0.00 0.00 66.02 64.40 2jwk s SER 36 CO 0.00 -0.20 0.15 -0.63 0.41 0.00 0.00 173.24 172.98 2jwk s ILE 37 N 1.41 3.74 -1.45 1.44 1.01 0.25 -0.59 121.20 127.02 2jwk s ILE 37 Ca 0.01 -1.39 -0.01 0.00 0.00 0.00 0.00 60.65 59.25 2jwk s ILE 37 Cb -0.18 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.07 2jwk s ILE 37 CO 0.00 -0.35 0.37 0.61 0.00 0.00 0.00 174.94 175.57 2jwk n GLY 38 N 4.78 -0.22 0.93 6.18 0.00 -1.18 -1.18 105.19 114.51 2jwk n GLY 38 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.05 3.05 3.70 -0.02 0.00 -1.26 -4.99 105.19 103.61 2jwk n GLY 39 Ca -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.25 4.29 -0.12 1.61 2.12 -0.32 -5.07 118.70 120.95 2jwk s GLU 40 Ca 0.00 0.44 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 2jwk s GLU 40 Cb 0.00 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2jwk s GLU 40 CO 0.00 0.04 0.03 0.50 -0.54 0.00 0.00 175.26 175.29 2jwk s ARG 41 N 1.00 3.39 -0.12 4.30 3.00 -1.26 0.88 118.95 130.14 2jwk s ARG 41 Ca 0.25 -0.37 0.03 0.00 -1.00 0.00 0.00 55.73 54.64 2jwk s ARG 41 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 34.95 31.83 2jwk s ARG 41 CO 0.10 0.54 -0.22 -0.65 0.00 0.00 0.00 175.30 175.08 2jwk s GLN 42 N -0.41 3.08 0.23 5.12 -1.52 0.18 -4.97 119.66 121.37 2jwk s GLN 42 Ca 0.08 -0.84 0.11 0.00 -1.95 0.00 0.00 55.36 52.76 2jwk s GLN 42 Cb -0.12 -2.41 -0.05 0.00 -0.22 0.00 0.00 33.01 30.22 2jwk s GLN 42 CO 0.02 0.10 -0.16 -1.21 -0.25 0.00 0.00 175.29 173.79 2jwk s GLU 43 N 0.55 1.79 0.00 2.91 2.02 -1.26 -0.76 118.70 123.95 2jwk s GLU 43 Ca -0.13 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.32 2jwk s GLU 43 Cb -0.17 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.13 2jwk s GLU 43 CO 0.04 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.11 2jwk n GLY 44 N -0.24 0.38 3.86 -1.39 0.00 -1.23 -5.03 105.19 101.55 2jwk n GLY 44 Ca -0.09 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 4.11 0.57 0.99 1.43 -0.73 -4.92 118.68 120.13 2jwk s LEU 45 Ca 0.00 1.13 -0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2jwk s LEU 45 Cb 0.00 -3.91 0.03 0.00 0.03 0.00 0.00 46.19 42.34 2jwk s LEU 45 CO 0.00 -0.15 0.81 0.42 0.23 0.00 0.00 176.35 177.66 2jwk s THR 46 N -1.91 2.72 0.11 5.49 -4.23 -1.26 -1.89 115.64 114.66 2jwk s THR 46 Ca 0.51 -0.58 -0.16 0.00 -1.18 0.00 0.00 61.69 60.28 2jwk s THR 46 Cb -0.11 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 2jwk s THR 46 CO 0.19 -0.03 1.58 1.05 -0.54 0.00 0.00 174.62 176.87 2jwk h GLU 47 N -0.01 0.57 -0.68 3.99 4.11 -1.99 0.65 114.58 121.22 2jwk h GLU 47 Ca -0.43 -0.16 -0.06 0.00 0.07 0.00 0.00 59.36 58.78 2jwk h GLU 47 Cb 1.30 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2jwk h GLU 47 CO 0.54 0.66 0.19 0.93 0.07 0.00 0.00 179.01 181.40 2jwk h GLU 48 N 0.40 1.07 -0.21 1.06 5.08 -1.95 -2.09 114.58 117.94 2jwk h GLU 48 Ca 0.10 -0.23 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 2jwk h GLU 48 Cb 0.37 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2jwk h GLU 48 CO 0.01 0.93 -0.59 1.98 -1.00 0.00 0.00 179.01 180.33 2jwk h MET 49 N 1.02 0.68 -0.29 2.33 4.05 -1.92 -2.56 114.93 118.23 2jwk h MET 49 Ca 0.22 -0.45 -0.06 0.00 -0.28 0.00 0.00 59.70 59.13 2jwk h MET 49 Cb 0.32 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 2jwk h MET 49 CO -0.00 1.07 -0.06 -0.24 0.23 0.00 0.00 176.91 177.90 2jwk h VAL 50 N 0.51 1.21 -0.02 -5.77 3.04 -0.68 -2.32 116.25 112.21 2jwk h VAL 50 Ca 0.00 -0.86 -0.00 0.00 -1.01 0.00 0.00 66.70 64.83 2jwk h VAL 50 Cb 1.17 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 31.50 2jwk h VAL 50 CO 0.12 0.29 0.01 0.74 -1.01 0.00 0.00 177.57 177.71 2jwk h THR 51 N 0.44 1.13 -0.36 3.17 2.02 -1.24 -0.67 112.91 117.40 2jwk h THR 51 Ca 0.09 -0.40 0.08 0.00 0.77 0.00 0.00 66.41 66.95 2jwk h THR 51 Cb 0.39 1.36 -0.08 0.00 -1.74 0.00 0.00 68.15 68.08 2jwk h THR 51 CO 0.02 0.11 -0.18 -0.61 0.37 0.00 0.00 175.52 175.22 2jwk h GLN 52 N -0.13 -0.12 -0.22 6.66 5.75 -1.11 0.15 115.11 126.10 2jwk h GLN 52 Ca 0.01 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 2jwk h GLN 52 Cb 0.17 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2jwk h GLN 52 CO -0.00 -0.08 0.04 -0.07 -2.65 0.00 0.00 178.83 176.07 2jwk h LEU 53 N -0.12 0.35 -0.66 -2.39 3.38 -1.37 -1.19 115.31 113.31 2jwk h LEU 53 Ca 0.18 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jwk h LEU 53 Cb 0.40 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2jwk h LEU 53 CO -0.44 0.52 0.42 0.28 0.09 0.00 0.00 178.44 179.31 2jwk h SER 54 N 0.16 0.70 -0.38 -0.43 0.02 -0.66 -1.07 113.55 111.89 2jwk h SER 54 Ca 0.07 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2jwk h SER 54 Cb 0.32 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2jwk h SER 54 CO 0.00 0.49 0.04 0.03 -1.14 0.00 0.00 176.83 176.26 2jwk h ARG 55 N 0.83 0.65 -0.66 3.45 2.47 -0.64 -1.24 114.38 119.24 2jwk h ARG 55 Ca 0.26 -0.19 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 2jwk h ARG 55 Cb -0.02 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 2jwk h ARG 55 CO -0.09 0.72 0.25 1.96 0.56 0.00 0.00 179.97 183.37 2jwk h GLN 56 N 0.48 1.00 -0.32 0.04 4.20 -0.91 -0.30 115.11 119.30 2jwk h GLN 56 Ca 0.11 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 2jwk h GLN 56 Cb 0.41 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2jwk h GLN 56 CO 0.01 0.85 -0.40 0.93 -0.67 0.00 0.00 178.83 179.55 2jwk h GLU 57 N 0.94 0.78 0.00 1.46 4.39 -1.13 -2.52 114.58 118.50 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 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2jwk h GLU 57 CO -0.02 1.03 -0.51 0.35 -1.16 0.00 0.00 179.01 178.71 2jwk h PHE 58 N 0.64 0.00 0.00 4.33 3.57 -1.00 -1.22 116.94 123.25 2jwk h PHE 58 Ca 0.05 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 2jwk h PHE 58 Cb 0.96 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2jwk h PHE 58 CO 0.05 0.51 -0.67 0.22 -2.23 0.00 0.00 178.31 176.20 2jwk h ASP 59 N 0.00 0.00 0.52 0.41 3.58 -0.91 -3.07 116.42 116.96 2jwk h ASP 59 Ca -0.01 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.15 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 0.67 -1.45 0.11 -2.88 0.00 0.00 179.24 175.76 2jwk h LYS 60 N 0.00 0.23 -3.60 0.28 6.56 -1.32 -3.42 116.57 115.30 2jwk h LYS 60 Ca -0.01 -0.39 -0.59 0.00 -1.06 0.00 0.00 60.65 58.60 2jwk h LYS 60 Cb 1.39 0.15 -0.40 0.00 -0.57 0.00 0.00 32.23 32.79 2jwk h LYS 60 CO 0.09 1.10 -0.75 -0.51 -2.06 0.00 0.00 179.45 177.32 2jwk s ASP 61 N -6.96 4.06 0.50 0.86 1.01 -0.47 -4.99 116.67 110.68 2jwk s ASP 61 Ca -0.07 -1.74 0.29 0.00 0.71 0.00 0.00 52.55 51.74 2jwk s ASP 61 Cb 0.07 -0.93 1.03 0.00 1.01 0.00 0.00 42.92 44.10 2jwk s ASP 61 CO 0.86 -0.40 1.86 0.78 0.21 0.00 0.00 175.17 178.47 2jwk h ASN 62 N 7.96 0.00 -0.53 0.27 4.21 -1.80 -3.05 115.58 122.65 2jwk h ASN 62 Ca -0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.39 2jwk h ASN 62 Cb 1.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.21 2jwk h ASN 62 CO 0.47 0.05 0.00 0.59 -1.29 0.00 0.00 177.43 177.26 2jwk n ASN 63 N -3.15 5.38 -4.65 5.81 4.13 -1.26 -4.96 115.26 116.57 2jwk n ASN 63 Ca 0.01 -2.86 -0.43 0.00 1.68 0.00 0.00 54.58 52.99 2jwk n ASN 63 Cb 0.39 -0.67 -0.02 0.00 -1.54 0.00 0.00 39.78 37.93 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 -2.63 3.85 0.07 3.41 2.01 -1.15 -4.94 115.64 116.26 2jwk s THR 64 Ca 0.50 1.01 -0.31 0.00 0.31 0.00 0.00 61.69 63.21 2jwk s THR 64 Cb 0.38 -3.69 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 2jwk s THR 64 CO 0.15 -0.13 1.53 -0.22 -0.69 0.00 0.00 174.62 175.26 2jwk s LEU 65 N 4.04 4.35 -0.08 4.42 2.96 -1.26 -4.90 118.68 128.21 2jwk s LEU 65 Ca 0.66 2.39 0.02 0.00 -0.22 0.00 0.00 54.13 56.98 2jwk s LEU 65 Cb -0.28 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.82 2jwk s LEU 65 CO 0.24 -0.79 -0.14 -0.36 -1.32 0.00 0.00 176.35 173.98 2jwk s PHE 66 N 2.08 2.74 0.00 5.38 0.08 -1.26 -1.22 117.98 125.77 2jwk s PHE 66 Ca 0.69 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.36 2jwk s PHE 66 Cb -0.38 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.35 2jwk s PHE 66 CO 0.30 0.01 -0.02 -0.48 -0.10 0.00 0.00 175.22 174.93 2jwk s LEU 67 N -0.26 2.03 -0.10 -0.37 0.05 -0.88 -5.00 118.68 114.16 2jwk s LEU 67 Ca 0.01 -0.09 0.03 0.00 0.05 0.00 0.00 54.13 54.13 2jwk s LEU 67 Cb -0.13 -0.08 0.01 0.00 -2.05 0.00 0.00 46.19 43.94 2jwk s LEU 67 CO 0.03 -0.02 -0.19 -0.69 -0.55 0.00 0.00 176.35 174.94 2jwk s VAL 68 N -0.22 1.68 0.39 1.48 1.01 -1.26 -1.77 120.40 121.72 2jwk s VAL 68 Ca -0.01 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2jwk s VAL 68 Cb -0.02 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2jwk s VAL 68 CO -0.00 0.48 0.12 0.61 0.00 0.00 0.00 175.10 176.30 2jwk n GLY 69 N 3.80 3.34 3.46 4.51 0.00 -0.49 -5.00 105.19 114.81 2jwk n GLY 69 Ca -0.20 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.54 2jwk n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jwk s GLY 70 N -3.38 -0.59 0.71 -0.02 0.00 -1.26 -1.41 107.32 101.37 2jwk s GLY 70 Ca 0.16 0.82 -0.11 0.00 0.00 0.00 0.00 44.72 45.59 2jwk s GLY 70 CO 0.12 0.45 1.10 0.00 0.00 0.00 0.00 173.10 174.76 2jwk s ALA 71 N -2.83 2.87 0.46 3.20 0.00 -1.06 -4.94 121.76 119.46 2jwk s ALA 71 Ca -0.03 -0.33 0.13 0.00 0.00 0.00 0.00 51.96 51.74 2jwk s ALA 71 Cb -0.01 -3.03 1.07 0.00 0.00 0.00 0.00 23.12 21.15 2jwk s ALA 71 CO -0.05 -1.16 2.05 0.87 0.00 0.00 0.00 175.76 177.48 2jwk h LYS 72 N -0.67 0.31 -0.00 0.00 6.56 -1.98 -0.81 116.57 119.98 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 1.25 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2jwk h LYS 72 CO 0.63 0.20 -0.04 0.39 -2.06 0.00 0.00 179.45 178.58 2jwk n GLU 73 N -4.48 0.31 -3.01 3.15 1.02 -1.26 -4.79 120.64 111.58 2jwk n GLU 73 Ca 0.04 -0.03 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 2jwk n GLU 73 Cb 0.21 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.71 5.02 0.61 2.62 1.01 -0.31 -4.97 120.40 121.66 2jwk s VAL 74 Ca 0.23 1.52 -0.15 0.00 0.00 0.00 0.00 61.98 63.58 2jwk s VAL 74 Cb 0.20 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2jwk s VAL 74 CO 0.50 0.25 1.05 -2.16 0.00 0.00 0.00 175.10 174.73 2jwk s PRO 75 N 0.79 3.29 0.32 2.72 0.04 -1.26 -4.83 135.00 136.07 2jwk s PRO 75 Ca 0.39 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.60 2jwk s PRO 75 Cb -0.18 -2.03 0.54 0.00 0.04 0.00 0.00 34.50 32.87 2jwk s PRO 75 CO 0.19 -0.83 1.83 -0.92 0.04 0.00 0.00 177.00 177.31 2jwk h TYR 76 N 0.23 0.54 -0.80 0.56 3.20 -1.97 -2.22 116.97 116.50 2jwk h TYR 76 Ca -0.46 -0.07 0.09 0.00 3.14 0.00 0.00 58.73 61.43 2jwk h TYR 76 Cb 1.21 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 2jwk h TYR 76 CO 0.60 0.58 0.52 0.93 -1.64 0.00 0.00 178.16 179.15 2jwk h GLU 77 N 0.47 0.75 -0.24 1.82 5.08 -2.00 -0.36 114.58 120.11 2jwk h GLU 77 Ca 0.09 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 2jwk h GLU 77 Cb 0.44 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2jwk h GLU 77 CO 0.02 0.50 -0.49 0.93 -1.00 0.00 0.00 179.01 178.97 2jwk h GLU 78 N 0.77 0.64 -0.88 2.33 3.07 -1.78 -2.53 114.58 116.19 2jwk h GLU 78 Ca 0.37 -0.37 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2jwk h GLU 78 Cb 0.40 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 2jwk h GLU 78 CO -0.14 0.98 0.51 0.28 -1.40 0.00 0.00 179.01 179.24 2jwk h VAL 79 N 0.50 1.25 -0.07 3.13 2.07 -0.88 -1.39 116.25 120.86 2jwk h VAL 79 Ca 0.02 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2jwk h VAL 79 Cb 1.03 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2jwk h VAL 79 CO 0.10 0.27 0.03 0.40 0.02 0.00 0.00 177.57 178.38 2jwk h ILE 80 N 1.23 0.99 -0.73 4.57 1.08 -1.01 -1.67 117.51 121.96 2jwk h ILE 80 Ca 0.31 -0.02 0.09 0.00 -0.39 0.00 0.00 64.86 64.85 2jwk h ILE 80 Cb -0.02 0.92 -0.07 0.00 -3.07 0.00 0.00 36.82 34.58 2jwk h ILE 80 CO -0.06 0.01 0.39 0.50 -0.69 0.00 0.00 178.15 178.30 2jwk h LYS 81 N 0.06 0.64 -0.11 2.37 3.64 -1.01 0.29 116.57 122.46 2jwk h LYS 81 Ca 0.03 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2jwk h LYS 81 Cb 0.01 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2jwk h LYS 81 CO -0.03 0.42 0.02 0.00 -2.27 0.00 0.00 179.45 177.60 2jwk h ALA 82 N 1.43 0.11 -0.56 5.00 0.00 -0.82 0.17 119.26 124.59 2jwk h ALA 82 Ca 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2jwk h ALA 82 Cb 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2jwk h ALA 82 CO -0.25 -0.43 0.30 -0.07 0.00 0.00 0.00 179.25 178.80 2jwk h LEU 83 N 0.07 0.68 -0.58 0.00 3.38 -0.65 -1.86 115.31 116.35 2jwk h LEU 83 Ca 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 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 -0.06 0.55 0.33 -1.13 0.09 0.00 0.00 178.44 178.22 2jwk h ASN 84 N 0.77 0.71 -0.49 -0.43 -0.73 0.70 -2.01 115.58 114.11 2jwk h ASN 84 Ca 0.20 -0.08 -0.07 0.00 1.87 0.00 0.00 56.30 58.22 2jwk h ASN 84 Cb 0.02 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 2jwk h ASN 84 CO -0.03 0.58 0.07 -0.07 -0.37 0.00 0.00 177.43 177.61 2jwk h LEU 85 N 0.78 0.83 -0.60 0.34 3.38 0.08 -1.92 115.31 118.21 2jwk h LEU 85 Ca 0.21 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 85 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2jwk h LEU 85 CO -0.04 0.85 0.17 -0.07 0.09 0.00 0.00 178.44 179.45 2jwk h LEU 86 N 0.83 0.89 -0.80 1.67 -0.00 -1.10 -2.64 115.31 114.16 2jwk h LEU 86 Ca 0.17 -0.22 -0.06 0.00 -0.00 0.00 0.00 57.88 57.77 2jwk h LEU 86 Cb 0.39 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.79 2jwk h LEU 86 CO 0.01 0.88 0.23 -0.74 -0.00 0.00 0.00 178.44 178.82 2jwk h HIS 87 N 0.86 1.17 -0.92 1.13 2.76 -1.08 0.95 115.15 120.02 2jwk h HIS 87 Ca 0.19 -0.11 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2jwk h HIS 87 Cb 0.32 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 28.89 2jwk h HIS 87 CO 0.02 0.92 0.60 -0.07 -1.30 0.00 0.00 177.93 178.10 2jwk h LEU 88 N 1.09 0.99 -1.71 0.26 3.38 -1.03 -1.52 115.31 116.78 2jwk h LEU 88 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jwk h LEU 88 Cb 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jwk h LEU 88 CO -0.01 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.21 2jwk n ALA 89 N -2.39 2.55 -3.42 1.53 0.00 -1.02 -4.93 120.51 112.82 2jwk n ALA 89 Ca 0.12 -0.80 -0.19 0.00 0.00 0.00 0.00 53.44 52.57 2jwk n ALA 89 Cb 0.10 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 1.07 -0.37 0.11 0.00 0.00 -0.57 -4.92 105.19 100.52 2jwk n GLY 90 Ca 0.15 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.38 1.43 -1.79 -0.61 5.41 0.29 -5.02 119.36 114.70 2jwk n ILE 91 Ca -0.12 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 62.90 2jwk n ILE 91 Cb 0.60 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72