#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwl n SER 20 N 0.00 0.66 -3.23 1.61 3.41 -1.26 -4.99 113.62 109.82 2jwl n SER 20 Ca 0.00 0.29 -0.03 0.00 -0.26 0.00 0.00 58.87 58.87 2jwl n SER 20 Cb 0.00 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.30 2jwl n SER 20 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jwl s VAL 21 N -1.53 -0.81 0.69 -3.33 1.01 -1.26 -5.10 120.40 110.07 2jwl s VAL 21 Ca -0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2jwl s VAL 21 Cb 0.01 -0.77 0.12 0.00 0.00 0.00 0.00 36.38 35.74 2jwl s VAL 21 CO 0.11 -0.15 0.27 -2.65 0.00 0.00 0.00 175.10 172.67 2jwl n PRO 22 N 5.09 -0.48 -4.13 2.72 -0.02 -1.26 -3.96 135.00 132.96 2jwl n PRO 22 Ca 0.05 -0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 60.74 2jwl n PRO 22 Cb 0.52 -1.06 -0.14 0.00 -0.02 0.00 0.00 33.50 32.81 2jwl n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jwl s VAL 23 N -1.67 3.46 -0.14 -1.45 1.01 -0.33 -3.54 120.40 117.74 2jwl s VAL 23 Ca 0.21 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2jwl s VAL 23 Cb -0.04 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2jwl s VAL 23 CO 0.17 0.45 -0.15 -0.63 0.00 0.00 0.00 175.10 174.94 2jwl s ILE 24 N 1.11 2.77 -0.15 2.22 1.09 -0.10 -2.11 121.20 126.03 2jwl s ILE 24 Ca 0.01 -0.75 0.01 0.00 -1.10 0.00 0.00 60.65 58.82 2jwl s ILE 24 Cb -0.15 -2.16 -0.00 0.00 -1.06 0.00 0.00 42.46 39.10 2jwl s ILE 24 CO -0.00 0.52 -0.16 -0.22 -0.10 0.00 0.00 174.94 174.98 2jwl s LEU 25 N 0.56 2.46 -0.10 2.97 0.20 -0.70 0.22 118.68 124.29 2jwl s LEU 25 Ca -0.09 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.29 2jwl s LEU 25 Cb -0.16 -1.55 -0.01 0.00 -0.43 0.00 0.00 46.19 44.04 2jwl s LEU 25 CO 0.04 0.10 -0.20 -1.61 -0.29 0.00 0.00 176.35 174.39 2jwl s GLU 26 N 0.72 3.07 -0.76 1.98 0.41 0.11 -1.27 118.70 122.96 2jwl s GLU 26 Ca -0.07 -0.80 -0.20 0.00 -0.41 0.00 0.00 54.97 53.49 2jwl s GLU 26 Cb -0.16 -2.41 0.10 0.00 -1.78 0.00 0.00 34.13 29.89 2jwl s GLU 26 CO 0.01 0.25 0.98 0.08 -0.49 0.00 0.00 175.26 176.09 2jwl s VAL 27 N 0.21 4.60 -0.09 2.63 1.01 0.23 -0.98 120.40 128.01 2jwl s VAL 27 Ca -0.12 -1.01 0.29 0.00 0.00 0.00 0.00 61.98 61.14 2jwl s VAL 27 Cb -0.16 -4.69 0.35 0.00 0.00 0.00 0.00 36.38 31.88 2jwl s VAL 27 CO 0.07 -1.41 1.83 0.00 0.00 0.00 0.00 175.10 175.58 2jwl h ALA 28 N 9.17 0.99 -3.00 5.51 0.00 -1.65 -2.50 119.26 127.78 2jwl h ALA 28 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jwl h ALA 28 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jwl h ALA 28 CO 1.13 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.83 2jwl n GLY 29 N 0.44 0.04 3.03 0.00 0.00 -1.19 -4.88 105.19 102.63 2jwl n GLY 29 Ca 0.02 0.53 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 2jwl n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jwl s ILE 30 N 2.76 3.27 0.00 -0.61 -1.09 -1.26 -4.62 121.20 119.66 2jwl s ILE 30 Ca 0.00 -3.15 0.00 0.00 -2.23 0.00 0.00 60.65 55.27 2jwl s ILE 30 Cb 0.00 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 2jwl s ILE 30 CO 0.00 -0.85 0.00 0.61 -1.23 0.00 0.00 174.94 173.47 2jwl n GLY 31 N 3.27 0.44 3.59 6.18 0.00 -1.26 -5.06 105.19 112.36 2jwl n GLY 31 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2jwl n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwl s LYS 32 N -0.87 3.84 0.08 1.61 3.01 -1.26 -4.30 119.74 121.84 2jwl s LYS 32 Ca 0.00 -0.41 0.02 0.00 -1.01 0.00 0.00 55.97 54.57 2jwl s LYS 32 Cb 0.00 -3.09 -0.03 0.00 -1.01 0.00 0.00 37.83 33.70 2jwl s LYS 32 CO 0.00 0.28 -0.07 0.71 0.51 0.00 0.00 175.35 176.78 2jwl s TYR 33 N 0.32 0.80 0.00 3.18 1.51 -0.85 -1.70 117.35 120.61 2jwl s TYR 33 Ca 0.01 -0.75 0.07 0.00 -1.01 0.00 0.00 57.07 55.38 2jwl s TYR 33 Cb -0.13 -0.47 -0.02 0.00 -0.11 0.00 0.00 41.96 41.23 2jwl s TYR 33 CO 0.01 -0.13 -0.21 0.00 -1.11 0.00 0.00 175.55 174.12 2jwl s ALA 34 N -2.74 1.75 -0.04 3.71 0.00 -0.15 -1.59 121.76 122.70 2jwl s ALA 34 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2jwl s ALA 34 Cb -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.71 2jwl s ALA 34 CO -0.03 0.42 -0.09 0.96 0.00 0.00 0.00 175.76 177.01 2jwl s ILE 35 N -0.59 0.86 -0.29 0.00 -4.36 0.08 0.04 121.20 116.95 2jwl s ILE 35 Ca 0.08 -0.37 -0.04 0.00 -0.26 0.00 0.00 60.65 60.06 2jwl s ILE 35 Cb -0.08 -0.78 0.03 0.00 1.25 0.00 0.00 42.46 42.87 2jwl s ILE 35 CO 0.00 0.28 0.02 -0.55 0.24 0.00 0.00 174.94 174.93 2jwl s SER 36 N 0.41 4.85 -0.32 4.36 0.15 0.13 -0.06 113.70 123.22 2jwl s SER 36 Ca -0.07 -0.91 -0.04 0.00 0.70 0.00 0.00 55.95 55.63 2jwl s SER 36 Cb -0.11 -1.78 0.05 0.00 -1.71 0.00 0.00 66.02 62.46 2jwl s SER 36 CO 0.01 -0.20 0.05 -0.63 1.20 0.00 0.00 173.24 173.68 2jwl s ILE 37 N 1.39 3.34 -1.51 6.45 1.01 0.14 -0.92 121.20 131.10 2jwl s ILE 37 Ca -0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 60.65 59.27 2jwl s ILE 37 Cb -0.18 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.42 2jwl s ILE 37 CO -0.00 -0.17 0.56 0.61 0.00 0.00 0.00 174.94 175.94 2jwl n GLY 38 N 4.70 -0.31 1.26 6.18 0.00 -1.23 -1.03 105.19 114.77 2jwl n GLY 38 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jwl n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jwl n GLY 39 N -1.80 3.13 3.69 -0.02 0.00 -1.26 -5.03 105.19 103.90 2jwl n GLY 39 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2jwl n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jwl s GLU 40 N -0.40 4.31 -0.17 1.61 2.12 -0.19 -5.06 118.70 120.92 2jwl s GLU 40 Ca 0.00 0.64 -0.07 0.00 0.36 0.00 0.00 54.97 55.90 2jwl s GLU 40 Cb 0.00 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2jwl s GLU 40 CO 0.00 -0.05 0.05 0.50 -0.54 0.00 0.00 175.26 175.22 2jwl s ARG 41 N 1.26 3.86 -0.13 4.30 3.00 -1.26 0.23 118.95 130.21 2jwl s ARG 41 Ca 0.30 -0.35 0.02 0.00 -1.00 0.00 0.00 55.73 54.70 2jwl s ARG 41 Cb -0.16 -3.15 -0.00 0.00 0.00 0.00 0.00 34.95 31.64 2jwl s ARG 41 CO 0.12 0.33 -0.20 -0.65 0.00 0.00 0.00 175.30 174.90 2jwl s GLN 42 N 0.21 3.13 0.20 5.12 -0.21 0.91 -4.97 119.66 124.05 2jwl s GLN 42 Ca 0.04 -0.81 0.10 0.00 0.02 0.00 0.00 55.36 54.71 2jwl s GLN 42 Cb -0.12 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 2jwl s GLN 42 CO 0.01 0.09 -0.16 -2.00 -2.12 0.00 0.00 175.29 171.11 2jwl s GLU 43 N 0.59 1.82 0.00 2.91 2.12 -1.26 -0.74 118.70 124.13 2jwl s GLU 43 Ca -0.11 -1.44 0.00 0.00 0.36 0.00 0.00 54.97 53.78 2jwl s GLU 43 Cb -0.16 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2jwl s GLU 43 CO 0.03 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2jwl n GLY 44 N -0.02 0.50 3.86 -1.50 0.00 -1.21 -5.03 105.19 101.79 2jwl n GLY 44 Ca -0.10 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2jwl n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jwl s LEU 45 N 0.00 4.11 0.62 0.99 1.02 -0.62 -4.92 118.68 119.88 2jwl s LEU 45 Ca 0.00 1.11 0.01 0.00 0.02 0.00 0.00 54.13 55.26 2jwl s LEU 45 Cb 0.00 -3.89 0.07 0.00 0.02 0.00 0.00 46.19 42.39 2jwl s LEU 45 CO 0.00 -0.15 0.86 0.42 0.02 0.00 0.00 176.35 177.51 2jwl s THR 46 N -1.91 2.44 0.08 5.49 -4.23 -1.26 -2.02 115.64 114.23 2jwl s THR 46 Ca 0.51 -0.64 -0.18 0.00 -1.18 0.00 0.00 61.69 60.21 2jwl s THR 46 Cb -0.11 -2.81 -0.09 0.00 1.34 0.00 0.00 72.50 70.84 2jwl s THR 46 CO 0.19 0.00 1.45 1.05 -0.54 0.00 0.00 174.62 176.77 2jwl h GLU 47 N -0.16 0.52 -0.82 3.99 4.11 -1.99 -0.22 114.58 120.00 2jwl h GLU 47 Ca -0.40 -0.22 -0.03 0.00 0.07 0.00 0.00 59.36 58.78 2jwl h GLU 47 Cb 1.29 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 2jwl h GLU 47 CO 0.48 0.77 0.38 1.49 0.07 0.00 0.00 179.01 182.20 2jwl h GLU 48 N 0.25 1.19 -0.27 1.06 4.81 -1.97 -2.12 114.58 117.54 2jwl h GLU 48 Ca 0.06 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 2jwl h GLU 48 Cb 0.61 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2jwl h GLU 48 CO 0.03 0.92 -0.56 1.98 -0.73 0.00 0.00 179.01 180.65 2jwl h MET 49 N 1.17 0.85 -0.62 1.92 4.05 -1.94 -2.60 114.93 117.75 2jwl h MET 49 Ca 0.28 -0.56 0.03 0.00 -0.28 0.00 0.00 59.70 59.17 2jwl h MET 49 Cb 0.13 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 2jwl h MET 49 CO -0.03 1.19 0.41 -0.24 0.23 0.00 0.00 176.91 178.47 2jwl h VAL 50 N 0.62 1.09 0.08 -5.77 3.04 -0.79 -1.71 116.25 112.81 2jwl h VAL 50 Ca 0.00 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.43 2jwl h VAL 50 Cb 1.18 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2jwl h VAL 50 CO 0.12 0.14 -0.04 0.74 -1.01 0.00 0.00 177.57 177.52 2jwl h THR 51 N 0.75 1.05 -0.37 3.17 2.02 -1.27 -0.64 112.91 117.62 2jwl h THR 51 Ca 0.25 -0.46 0.08 0.00 0.77 0.00 0.00 66.41 67.05 2jwl h THR 51 Cb 0.06 1.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.73 2jwl h THR 51 CO -0.07 0.11 -0.20 -0.61 0.37 0.00 0.00 175.52 175.13 2jwl h GLN 52 N -0.32 -0.14 -0.17 6.66 4.15 -0.99 0.21 115.11 124.52 2jwl h GLN 52 Ca -0.01 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2jwl h GLN 52 Cb 0.27 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2jwl h GLN 52 CO 0.02 -0.09 0.02 -0.07 -1.93 0.00 0.00 178.83 176.78 2jwl h LEU 53 N -0.14 0.27 -0.74 -2.39 3.38 -1.32 -1.08 115.31 113.29 2jwl h LEU 53 Ca 0.18 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2jwl h LEU 53 Cb 0.43 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2jwl h LEU 53 CO -0.46 0.47 0.47 0.28 0.09 0.00 0.00 178.44 179.30 2jwl h SER 54 N 0.07 0.78 -0.35 -0.43 0.02 -0.67 -1.03 113.55 111.92 2jwl h SER 54 Ca 0.05 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2jwl h SER 54 Cb 0.32 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2jwl h SER 54 CO 0.00 0.54 -0.05 0.03 -1.14 0.00 0.00 176.83 176.21 2jwl h ARG 55 N 0.92 0.66 -0.66 3.45 2.47 -0.52 -1.73 114.38 118.97 2jwl h ARG 55 Ca 0.29 -0.24 -0.07 0.00 -1.26 0.00 0.00 59.98 58.70 2jwl h ARG 55 Cb 0.00 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 2jwl h ARG 55 CO -0.10 0.81 0.12 0.37 0.56 0.00 0.00 179.97 181.72 2jwl h GLN 56 N 0.46 1.07 -0.24 0.04 4.15 -0.89 -1.14 115.11 118.54 2jwl h GLN 56 Ca 0.09 -0.27 -0.15 0.00 0.77 0.00 0.00 58.65 59.09 2jwl h GLN 56 Cb 0.54 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 2jwl h GLN 56 CO 0.03 0.96 -0.47 0.93 -1.93 0.00 0.00 178.83 178.35 2jwl h GLU 57 N 1.00 0.64 -0.03 1.69 3.07 -1.14 -2.77 114.58 117.04 2jwl h GLU 57 Ca 0.20 -0.36 -0.14 0.00 -0.50 0.00 0.00 59.36 58.57 2jwl h GLU 57 Cb 0.40 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 2jwl h GLU 57 CO 0.01 0.97 -0.61 0.35 -1.40 0.00 0.00 179.01 178.33 2jwl h PHE 58 N 0.51 0.14 0.00 4.33 3.57 -1.09 -1.57 116.94 122.83 2jwl h PHE 58 Ca 0.03 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 2jwl h PHE 58 Cb 1.01 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2jwl h PHE 58 CO 0.05 0.68 -0.45 0.22 -2.23 0.00 0.00 178.31 176.58 2jwl h ASP 59 N 0.08 0.00 0.42 0.41 3.58 -1.13 -3.21 116.42 116.56 2jwl h ASP 59 Ca -0.01 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.13 2jwl h ASP 59 Cb 1.09 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2jwl h ASP 59 CO 0.09 0.45 -1.57 0.50 -2.88 0.00 0.00 179.24 175.82 2jwl h LYS 60 N 0.00 0.25 -4.07 0.28 3.64 -1.38 -3.44 116.57 111.86 2jwl h LYS 60 Ca -0.00 -0.43 -0.56 0.00 -1.27 0.00 0.00 60.65 58.38 2jwl h LYS 60 Cb 1.08 0.16 -0.38 0.00 -0.41 0.00 0.00 32.23 32.68 2jwl h LYS 60 CO 0.06 1.11 -0.78 -0.51 -2.27 0.00 0.00 179.45 177.06 2jwl s ASP 61 N -6.98 3.22 0.13 4.20 1.11 -0.60 -5.01 116.67 112.75 2jwl s ASP 61 Ca -0.10 -0.89 0.26 0.00 0.18 0.00 0.00 52.55 52.00 2jwl s ASP 61 Cb 0.07 -0.92 0.80 0.00 1.07 0.00 0.00 42.92 43.93 2jwl s ASP 61 CO 0.85 -0.23 1.70 0.59 1.18 0.00 0.00 175.17 179.26 2jwl n ASN 62 N 4.85 0.59 -1.45 0.27 4.13 -1.23 -3.62 115.26 118.80 2jwl n ASN 62 Ca -0.11 0.42 0.08 0.00 1.68 0.00 0.00 54.58 56.65 2jwl n ASN 62 Cb 0.46 -0.48 0.34 0.00 -1.54 0.00 0.00 39.78 38.56 2jwl n ASN 62 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2jwl n ASN 63 N -2.02 4.92 -4.63 6.41 5.15 -1.26 -4.98 115.26 118.85 2jwl n ASN 63 Ca 0.05 -2.96 -0.43 0.00 -0.60 0.00 0.00 54.58 50.64 2jwl n ASN 63 Cb 0.41 -0.62 -0.03 0.00 -0.53 0.00 0.00 39.78 39.01 2jwl n ASN 63 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2jwl s THR 64 N -2.78 3.67 0.02 -0.44 -4.23 -1.24 -4.96 115.64 105.69 2jwl s THR 64 Ca 0.49 0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 61.47 2jwl s THR 64 Cb 0.38 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 70.50 2jwl s THR 64 CO 0.13 -0.24 1.62 -0.22 -0.54 0.00 0.00 174.62 175.36 2jwl s LEU 65 N 5.05 4.35 -0.18 4.79 2.96 -1.26 -4.89 118.68 129.49 2jwl s LEU 65 Ca 0.72 2.35 -0.04 0.00 -0.22 0.00 0.00 54.13 56.94 2jwl s LEU 65 Cb -0.26 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 2jwl s LEU 65 CO 0.29 -0.87 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.07 2jwl s PHE 66 N 3.05 3.04 -0.01 5.38 0.08 -1.26 -1.19 117.98 127.07 2jwl s PHE 66 Ca 0.72 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.45 2jwl s PHE 66 Cb -0.37 -2.02 -0.00 0.00 -0.57 0.00 0.00 43.02 40.06 2jwl s PHE 66 CO 0.31 -0.12 -0.08 -0.48 -0.10 0.00 0.00 175.22 174.74 2jwl s LEU 67 N 0.65 1.95 -0.04 -0.37 0.05 -0.90 -5.01 118.68 115.01 2jwl s LEU 67 Ca -0.01 -0.16 0.05 0.00 0.05 0.00 0.00 54.13 54.06 2jwl s LEU 67 Cb -0.14 -0.46 -0.01 0.00 -2.05 0.00 0.00 46.19 43.53 2jwl s LEU 67 CO 0.02 0.09 -0.18 0.54 -0.55 0.00 0.00 176.35 176.27 2jwl s VAL 68 N -0.08 1.48 0.02 1.48 0.11 -1.26 -1.72 120.40 120.44 2jwl s VAL 68 Ca 0.02 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.32 2jwl s VAL 68 Cb -0.05 -1.27 -0.02 0.00 -1.53 0.00 0.00 36.38 33.52 2jwl s VAL 68 CO -0.00 0.42 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.30 2jwl s GLY 69 N -0.07 0.38 0.18 6.54 0.00 -0.39 -4.99 107.32 108.97 2jwl s GLY 69 Ca -0.02 -0.56 0.10 0.00 0.00 0.00 0.00 44.72 44.25 2jwl s GLY 69 CO 0.02 -0.59 -0.22 -0.32 0.00 0.00 0.00 173.10 171.99 2jwl s GLY 70 N -1.09 1.57 0.72 0.20 0.00 -1.26 -0.60 107.32 106.86 2jwl s GLY 70 Ca -0.07 -1.57 -0.11 0.00 0.00 0.00 0.00 44.72 42.97 2jwl s GLY 70 CO 0.00 -1.60 1.10 0.00 0.00 0.00 0.00 173.10 172.60 2jwl s ALA 71 N -1.76 2.82 0.48 3.20 0.00 -0.94 -4.93 121.76 120.63 2jwl s ALA 71 Ca 0.18 -0.33 0.18 0.00 0.00 0.00 0.00 51.96 52.00 2jwl s ALA 71 Cb -0.07 -3.03 1.24 0.00 0.00 0.00 0.00 23.12 21.25 2jwl s ALA 71 CO 0.08 -1.21 2.08 0.87 0.00 0.00 0.00 175.76 177.58 2jwl h LYS 72 N -0.71 0.00 -0.01 0.00 6.56 -1.97 -2.36 116.57 118.09 2jwl h LYS 72 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 2jwl h LYS 72 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2jwl h LYS 72 CO 0.63 0.10 -0.09 0.39 -2.06 0.00 0.00 179.45 178.42 2jwl n GLU 73 N -4.23 0.99 -3.32 3.15 4.71 -1.26 -4.88 120.64 115.80 2jwl n GLU 73 Ca -0.03 -0.42 -0.38 0.00 -0.01 0.00 0.00 57.16 56.32 2jwl n GLU 73 Cb 0.18 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.06 2jwl n GLU 73 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2jwl s VAL 74 N -2.30 4.97 0.38 2.62 0.11 -0.89 -5.02 120.40 120.28 2jwl s VAL 74 Ca 0.33 1.07 -0.26 0.00 -2.93 0.00 0.00 61.98 60.18 2jwl s VAL 74 Cb 0.20 -3.84 -0.09 0.00 -1.53 0.00 0.00 36.38 31.12 2jwl s VAL 74 CO 0.43 0.46 1.24 -2.16 -3.33 0.00 0.00 175.10 171.75 2jwl s PRO 75 N -0.39 4.10 0.31 1.54 0.04 -1.26 -4.89 135.00 134.45 2jwl s PRO 75 Ca 0.28 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 2jwl s PRO 75 Cb -0.17 -2.81 0.48 0.00 0.04 0.00 0.00 34.50 32.04 2jwl s PRO 75 CO 0.15 -0.34 1.98 -0.92 0.04 0.00 0.00 177.00 177.91 2jwl h TYR 76 N 2.85 0.99 -0.48 0.56 3.20 -1.97 -1.71 116.97 120.41 2jwl h TYR 76 Ca -0.49 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.52 2jwl h TYR 76 Cb 1.24 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2jwl h TYR 76 CO 0.55 0.62 0.33 0.93 -1.64 0.00 0.00 178.16 178.95 2jwl h GLU 77 N 1.07 0.13 0.00 1.82 4.39 -2.00 0.19 114.58 120.18 2jwl h GLU 77 Ca 0.29 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.79 2jwl h GLU 77 Cb -0.12 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 2jwl h GLU 77 CO -0.06 0.09 -0.86 1.49 -1.16 0.00 0.00 179.01 178.50 2jwl h GLU 78 N 0.14 0.10 -0.66 2.33 4.57 -1.69 -2.40 114.58 116.96 2jwl h GLU 78 Ca 0.22 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2jwl h GLU 78 Cb 0.71 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 2jwl h GLU 78 CO -0.03 0.90 0.12 0.28 -1.18 0.00 0.00 179.01 179.09 2jwl h VAL 79 N 0.05 1.26 -0.44 0.32 2.07 -0.89 -0.86 116.25 117.76 2jwl h VAL 79 Ca -0.03 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 2jwl h VAL 79 Cb 1.50 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2jwl h VAL 79 CO 0.12 0.38 0.27 0.40 0.02 0.00 0.00 177.57 178.76 2jwl h ILE 80 N 1.02 1.14 -0.61 4.57 1.08 -1.26 -1.30 117.51 122.15 2jwl h ILE 80 Ca 0.20 -0.32 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 2jwl h ILE 80 Cb 0.43 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 2jwl h ILE 80 CO 0.01 0.14 0.32 0.11 -0.69 0.00 0.00 178.15 178.04 2jwl h LYS 81 N 0.59 0.58 -0.25 2.37 1.57 -1.01 0.19 116.57 120.61 2jwl h LYS 81 Ca 0.16 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2jwl h LYS 81 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2jwl h LYS 81 CO -0.03 0.38 0.13 0.00 -0.57 0.00 0.00 179.45 179.37 2jwl h ALA 82 N 1.33 0.31 -0.82 3.86 0.00 -0.64 0.09 119.26 123.39 2jwl h ALA 82 Ca 0.28 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2jwl h ALA 82 Cb 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2jwl h ALA 82 CO -0.19 -0.26 0.55 -0.07 0.00 0.00 0.00 179.25 179.28 2jwl h LEU 83 N 0.28 0.94 -0.74 0.00 3.38 -0.65 -1.66 115.31 116.86 2jwl h LEU 83 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jwl h LEU 83 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2jwl h LEU 83 CO -0.06 0.68 0.45 -1.13 0.09 0.00 0.00 178.44 178.46 2jwl h ASN 84 N 1.11 0.88 -0.63 -0.43 -0.73 0.42 -1.61 115.58 114.59 2jwl h ASN 84 Ca 0.31 -0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.33 2jwl h ASN 84 Cb -0.11 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.23 2jwl h ASN 84 CO -0.07 0.68 0.07 -0.07 -0.37 0.00 0.00 177.43 177.67 2jwl h LEU 85 N 1.01 1.04 -0.60 0.34 3.38 -0.11 -1.18 115.31 119.20 2jwl h LEU 85 Ca 0.27 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2jwl h LEU 85 Cb -0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 2jwl h LEU 85 CO -0.05 1.05 0.18 -0.07 0.09 0.00 0.00 178.44 179.64 2jwl h LEU 86 N 1.00 0.88 -0.69 1.67 -0.00 -1.09 -2.46 115.31 114.61 2jwl h LEU 86 Ca 0.19 -0.21 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 2jwl h LEU 86 Cb 0.48 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 2jwl h LEU 86 CO 0.02 0.86 0.30 -0.74 -0.00 0.00 0.00 178.44 178.88 2jwl h HIS 87 N 0.86 1.04 -0.90 1.13 2.76 -1.05 0.10 115.15 119.08 2jwl h HIS 87 Ca 0.19 -0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 2jwl h HIS 87 Cb 0.30 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 28.88 2jwl h HIS 87 CO 0.02 0.79 0.59 1.25 -1.30 0.00 0.00 177.93 179.28 2jwl h LEU 88 N 0.98 0.89 -1.42 0.26 5.85 -0.85 -0.67 115.31 120.35 2jwl h LEU 88 Ca 0.23 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2jwl h LEU 88 Cb 0.18 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jwl h LEU 88 CO -0.02 0.57 0.00 0.00 -0.34 0.00 0.00 178.44 178.65 2jwl n ALA 89 N -2.40 2.46 -3.19 1.25 0.00 -0.96 -4.93 120.51 112.74 2jwl n ALA 89 Ca 0.14 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 2jwl n ALA 89 Cb 0.21 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.75 2jwl n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwl n GLY 90 N 1.08 -0.14 0.11 0.00 0.00 -0.26 -4.91 105.19 101.08 2jwl n GLY 90 Ca 0.13 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 2jwl n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jwl n ILE 91 N -3.89 1.57 -1.02 -0.61 -0.00 0.32 -5.01 119.36 110.71 2jwl n ILE 91 Ca -0.08 -0.71 0.00 0.00 -0.00 0.00 0.00 62.75 61.95 2jwl n ILE 91 Cb 0.58 -1.18 0.00 0.00 -0.00 0.00 0.00 39.64 39.03 2jwl n ILE 91 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72