#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 0.00 -3.49 1.61 3.41 -1.26 -4.97 113.62 108.93 2jwl n SER 20 Ca 0.00 0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.90 2jwl n SER 20 Cb 0.00 -0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 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 -0.81 -0.63 0.07 -3.33 1.01 -1.26 -5.01 120.40 110.44 2jwl s VAL 21 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2jwl s VAL 21 Cb 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.65 2jwl s VAL 21 CO 0.00 -0.03 0.02 -2.65 0.00 0.00 0.00 175.10 172.44 2jwl n PRO 22 N 5.38 0.77 -3.85 2.72 -0.02 -1.26 -2.83 135.00 135.90 2jwl n PRO 22 Ca -0.06 -0.04 -0.36 0.00 -2.02 0.00 0.00 63.50 61.03 2jwl n PRO 22 Cb 0.50 -0.11 -0.13 0.00 -0.02 0.00 0.00 33.50 33.74 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 -0.44 4.01 -0.10 -1.45 1.01 -0.07 -3.08 120.40 120.28 2jwl s VAL 23 Ca 0.02 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2jwl s VAL 23 Cb -0.00 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 2jwl s VAL 23 CO 0.01 0.38 -0.22 -0.63 0.00 0.00 0.00 175.10 174.64 2jwl s ILE 24 N 1.45 2.21 -0.15 2.22 1.09 -0.32 -2.42 121.20 125.28 2jwl s ILE 24 Ca 0.05 -0.97 0.01 0.00 -1.10 0.00 0.00 60.65 58.64 2jwl s ILE 24 Cb -0.15 -1.85 0.00 0.00 -1.06 0.00 0.00 42.46 39.40 2jwl s ILE 24 CO 0.01 0.56 -0.17 -0.22 -0.10 0.00 0.00 174.94 175.02 2jwl s LEU 25 N 0.26 2.38 -0.13 2.97 0.20 -0.67 -0.24 118.68 123.45 2jwl s LEU 25 Ca -0.15 -0.51 0.01 0.00 0.69 0.00 0.00 54.13 54.16 2jwl s LEU 25 Cb -0.17 -1.53 -0.01 0.00 -0.43 0.00 0.00 46.19 44.04 2jwl s LEU 25 CO 0.08 0.08 -0.15 -1.61 -0.29 0.00 0.00 176.35 174.45 2jwl s GLU 26 N 0.86 3.32 -0.74 1.98 0.41 0.83 -1.74 118.70 123.63 2jwl s GLU 26 Ca -0.05 -0.72 -0.21 0.00 -0.41 0.00 0.00 54.97 53.58 2jwl s GLU 26 Cb -0.15 -2.58 0.09 0.00 -1.78 0.00 0.00 34.13 29.71 2jwl s GLU 26 CO -0.01 0.20 1.00 0.08 -0.49 0.00 0.00 175.26 176.04 2jwl s VAL 27 N 0.38 4.45 -0.14 2.63 1.01 0.02 -1.13 120.40 127.62 2jwl s VAL 27 Ca -0.12 -0.74 0.28 0.00 0.00 0.00 0.00 61.98 61.40 2jwl s VAL 27 Cb -0.16 -4.71 0.35 0.00 0.00 0.00 0.00 36.38 31.86 2jwl s VAL 27 CO 0.06 -1.46 1.79 0.00 0.00 0.00 0.00 175.10 175.49 2jwl h ALA 28 N 9.36 0.99 -3.00 5.51 0.00 -1.63 -2.69 119.26 127.80 2jwl h ALA 28 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jwl h ALA 28 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jwl h ALA 28 CO 1.16 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.87 2jwl n GLY 29 N 0.55 -0.11 3.02 0.00 0.00 -1.19 -4.87 105.19 102.60 2jwl n GLY 29 Ca 0.02 0.56 -0.33 0.00 0.00 0.00 0.00 46.02 46.27 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 2.86 3.30 0.00 -0.61 -1.09 -1.26 -4.63 121.20 119.78 2jwl s ILE 30 Ca 0.00 -3.35 0.00 0.00 -2.23 0.00 0.00 60.65 55.07 2jwl s ILE 30 Cb 0.00 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2jwl s ILE 30 CO 0.00 -0.89 0.00 0.61 -1.23 0.00 0.00 174.94 173.43 2jwl n GLY 31 N 3.04 0.29 3.60 6.18 0.00 -1.26 -5.06 105.19 111.98 2jwl n GLY 31 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.94 3.79 0.06 1.61 3.01 -1.26 -4.35 119.74 121.66 2jwl s LYS 32 Ca 0.00 -0.41 0.01 0.00 -1.01 0.00 0.00 55.97 54.56 2jwl s LYS 32 Cb 0.00 -3.08 -0.03 0.00 -1.01 0.00 0.00 37.83 33.71 2jwl s LYS 32 CO 0.00 0.31 -0.06 0.71 0.51 0.00 0.00 175.35 176.82 2jwl s TYR 33 N 0.24 0.68 0.01 3.18 1.51 -0.84 -1.64 117.35 120.49 2jwl s TYR 33 Ca 0.01 -0.81 0.07 0.00 -1.01 0.00 0.00 57.07 55.33 2jwl s TYR 33 Cb -0.13 -0.42 -0.02 0.00 -0.11 0.00 0.00 41.96 41.28 2jwl s TYR 33 CO 0.01 -0.19 -0.20 0.00 -1.11 0.00 0.00 175.55 174.06 2jwl s ALA 34 N -2.91 1.69 -0.04 3.71 0.00 -0.29 -1.44 121.76 122.48 2jwl s ALA 34 Ca 0.02 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2jwl s ALA 34 Cb 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2jwl s ALA 34 CO -0.04 0.40 -0.09 0.96 0.00 0.00 0.00 175.76 176.99 2jwl s ILE 35 N -0.60 0.82 -0.28 0.00 -4.36 0.12 -0.12 121.20 116.78 2jwl s ILE 35 Ca 0.07 -0.35 -0.05 0.00 -0.26 0.00 0.00 60.65 60.07 2jwl s ILE 35 Cb -0.08 -0.74 0.02 0.00 1.25 0.00 0.00 42.46 42.91 2jwl s ILE 35 CO 0.00 0.26 0.03 -0.55 0.24 0.00 0.00 174.94 174.93 2jwl s SER 36 N 0.37 4.87 -0.35 4.36 0.15 0.66 0.01 113.70 123.79 2jwl s SER 36 Ca -0.06 -0.84 -0.05 0.00 0.70 0.00 0.00 55.95 55.69 2jwl s SER 36 Cb -0.11 -1.80 0.05 0.00 -1.71 0.00 0.00 66.02 62.46 2jwl s SER 36 CO 0.01 -0.19 0.11 -0.63 1.20 0.00 0.00 173.24 173.74 2jwl s ILE 37 N 1.42 3.61 -1.49 6.45 1.01 0.22 -1.17 121.20 131.24 2jwl s ILE 37 Ca 0.01 -1.31 -0.04 0.00 0.00 0.00 0.00 60.65 59.30 2jwl s ILE 37 Cb -0.17 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.22 2jwl s ILE 37 CO 0.00 -0.25 0.43 0.61 0.00 0.00 0.00 174.94 175.73 2jwl n GLY 38 N 4.76 -0.25 1.01 6.18 0.00 -1.13 -1.00 105.19 114.76 2jwl n GLY 38 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.95 3.09 3.70 -0.02 0.00 -1.26 -4.83 105.19 103.92 2jwl n GLY 39 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.32 4.32 -0.16 1.61 2.12 -0.17 -5.06 118.70 121.04 2jwl s GLU 40 Ca 0.00 0.58 -0.06 0.00 0.36 0.00 0.00 54.97 55.85 2jwl s GLU 40 Cb 0.00 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2jwl s GLU 40 CO 0.00 0.02 0.04 0.50 -0.54 0.00 0.00 175.26 175.28 2jwl s ARG 41 N 1.05 3.75 -0.12 4.30 3.00 -1.26 0.69 118.95 130.36 2jwl s ARG 41 Ca 0.29 -0.37 0.03 0.00 -1.00 0.00 0.00 55.73 54.68 2jwl s ARG 41 Cb -0.16 -3.09 0.00 0.00 0.00 0.00 0.00 34.95 31.70 2jwl s ARG 41 CO 0.12 0.36 -0.22 -0.65 0.00 0.00 0.00 175.30 174.92 2jwl s GLN 42 N 0.09 3.09 0.21 5.12 -0.21 0.10 -4.98 119.66 123.09 2jwl s GLN 42 Ca 0.04 -0.84 0.10 0.00 0.02 0.00 0.00 55.36 54.68 2jwl s GLN 42 Cb -0.12 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 2jwl s GLN 42 CO 0.01 0.11 -0.16 -2.00 -2.12 0.00 0.00 175.29 171.13 2jwl s GLU 43 N 0.52 1.81 0.00 2.91 2.12 -1.26 -0.70 118.70 124.10 2jwl s GLU 43 Ca -0.14 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 53.72 2jwl s GLU 43 Cb -0.17 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.25 2jwl s GLU 43 CO 0.05 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2jwl n GLY 44 N -0.09 0.45 3.85 -1.50 0.00 -1.21 -5.02 105.19 101.67 2jwl n GLY 44 Ca -0.10 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 4.16 0.63 0.99 1.43 -0.52 -4.91 118.68 120.46 2jwl s LEU 45 Ca 0.00 1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2jwl s LEU 45 Cb 0.00 -3.80 0.07 0.00 0.03 0.00 0.00 46.19 42.49 2jwl s LEU 45 CO 0.00 -0.10 0.88 0.42 0.23 0.00 0.00 176.35 177.78 2jwl s THR 46 N -1.81 2.43 0.07 5.49 -4.23 -1.26 -1.99 115.64 114.34 2jwl s THR 46 Ca 0.49 -0.60 -0.18 0.00 -1.18 0.00 0.00 61.69 60.21 2jwl s THR 46 Cb -0.12 -2.83 -0.10 0.00 1.34 0.00 0.00 72.50 70.78 2jwl s THR 46 CO 0.19 0.00 1.44 -0.33 -0.54 0.00 0.00 174.62 175.38 2jwl h GLU 47 N -0.21 0.46 -0.75 3.99 5.08 -1.99 0.13 114.58 121.29 2jwl h GLU 47 Ca -0.40 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 2jwl h GLU 47 Cb 1.29 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2jwl h GLU 47 CO 0.49 0.72 0.31 1.49 -1.00 0.00 0.00 179.01 181.02 2jwl h GLU 48 N 0.18 1.11 -0.19 2.33 4.81 -1.97 -2.03 114.58 118.82 2jwl h GLU 48 Ca 0.05 -0.19 -0.19 0.00 -0.13 0.00 0.00 59.36 58.90 2jwl h GLU 48 Cb 0.58 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2jwl h GLU 48 CO 0.03 0.89 -0.64 1.98 -0.73 0.00 0.00 179.01 180.54 2jwl h MET 49 N 1.08 0.69 -0.38 1.92 4.05 -1.94 -2.57 114.93 117.79 2jwl h MET 49 Ca 0.25 -0.49 -0.04 0.00 -0.28 0.00 0.00 59.70 59.14 2jwl h MET 49 Cb 0.19 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 2jwl h MET 49 CO -0.02 1.11 0.07 -0.24 0.23 0.00 0.00 176.91 178.06 2jwl h VAL 50 N 0.51 1.18 0.14 -5.77 3.04 -0.72 -1.93 116.25 112.70 2jwl h VAL 50 Ca -0.01 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 65.00 2jwl h VAL 50 Cb 1.23 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2jwl h VAL 50 CO 0.13 0.24 -0.07 0.74 -1.01 0.00 0.00 177.57 177.60 2jwl h THR 51 N 0.55 0.98 -0.41 3.17 2.02 -1.27 -0.49 112.91 117.46 2jwl h THR 51 Ca 0.13 -0.47 0.08 0.00 0.77 0.00 0.00 66.41 66.92 2jwl h THR 51 Cb 0.25 1.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 2jwl h THR 51 CO 0.00 0.11 -0.15 -0.61 0.37 0.00 0.00 175.52 175.24 2jwl h GLN 52 N -0.41 -0.06 -0.21 6.66 4.15 -1.14 0.46 115.11 124.56 2jwl h GLN 52 Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 2jwl h GLN 52 Cb 0.33 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2jwl h GLN 52 CO 0.03 -0.04 0.03 -0.07 -1.93 0.00 0.00 178.83 176.85 2jwl h LEU 53 N -0.06 0.34 -0.73 -2.39 3.38 -1.34 -1.51 115.31 112.99 2jwl h LEU 53 Ca 0.20 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2jwl h LEU 53 Cb 0.37 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2jwl h LEU 53 CO -0.46 0.52 0.46 0.28 0.09 0.00 0.00 178.44 179.34 2jwl h SER 54 N 0.14 0.76 -0.38 -0.43 0.02 -0.63 -0.99 113.55 112.04 2jwl h SER 54 Ca 0.06 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2jwl h SER 54 Cb 0.34 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2jwl h SER 54 CO 0.01 0.53 -0.04 0.03 -1.14 0.00 0.00 176.83 176.22 2jwl h ARG 55 N 0.90 0.69 -0.64 3.45 2.47 -0.86 -1.70 114.38 118.69 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 0.01 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 2jwl h ARG 55 CO -0.11 0.81 0.11 0.37 0.56 0.00 0.00 179.97 181.71 2jwl h GLN 56 N 0.50 1.05 -0.23 0.04 4.15 -0.96 -1.15 115.11 118.51 2jwl h GLN 56 Ca 0.10 -0.27 -0.15 0.00 0.77 0.00 0.00 58.65 59.10 2jwl h GLN 56 Cb 0.53 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2jwl h GLN 56 CO 0.03 0.96 -0.48 0.93 -1.93 0.00 0.00 178.83 178.34 2jwl h GLU 57 N 0.98 0.62 -0.03 1.69 3.07 -1.12 -2.75 114.58 117.04 2jwl h GLU 57 Ca 0.20 -0.36 -0.14 0.00 -0.50 0.00 0.00 59.36 58.56 2jwl h GLU 57 Cb 0.42 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 2jwl h GLU 57 CO 0.01 0.96 -0.63 0.35 -1.40 0.00 0.00 179.01 178.31 2jwl h PHE 58 N 0.49 0.15 0.00 4.33 3.57 -1.09 -1.43 116.94 122.97 2jwl h PHE 58 Ca 0.03 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 2jwl h PHE 58 Cb 1.02 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2jwl h PHE 58 CO 0.05 0.71 -0.41 0.22 -2.23 0.00 0.00 178.31 176.65 2jwl h ASP 59 N 0.09 0.00 0.29 0.41 3.58 -1.13 -3.23 116.42 116.43 2jwl h ASP 59 Ca -0.01 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.11 2jwl h ASP 59 Cb 1.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2jwl h ASP 59 CO 0.09 0.41 -1.67 0.50 -2.88 0.00 0.00 179.24 175.69 2jwl h LYS 60 N 0.00 0.34 -4.60 0.28 3.64 -1.38 -3.45 116.57 111.41 2jwl h LYS 60 Ca -0.00 -0.58 -0.55 0.00 -1.27 0.00 0.00 60.65 58.25 2jwl h LYS 60 Cb 1.04 0.22 -0.34 0.00 -0.41 0.00 0.00 32.23 32.73 2jwl h LYS 60 CO 0.05 1.23 -0.82 -0.51 -2.27 0.00 0.00 179.45 177.13 2jwl s ASP 61 N -7.17 2.09 0.00 4.20 1.11 -0.55 -5.03 116.67 111.33 2jwl s ASP 61 Ca -0.13 -0.35 0.23 0.00 0.18 0.00 0.00 52.55 52.48 2jwl s ASP 61 Cb 0.06 -0.94 0.13 0.00 1.07 0.00 0.00 42.92 43.25 2jwl s ASP 61 CO 0.86 0.01 1.18 0.59 1.18 0.00 0.00 175.17 178.99 2jwl n ASN 62 N 4.08 1.89 -1.02 0.27 4.13 -1.25 -4.19 115.26 119.17 2jwl n ASN 62 Ca -0.20 -1.43 0.08 0.00 1.68 0.00 0.00 54.58 54.71 2jwl n ASN 62 Cb 0.51 0.40 0.28 0.00 -1.54 0.00 0.00 39.78 39.43 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 -0.08 4.10 -4.65 6.41 5.15 -1.26 -5.00 115.26 119.93 2jwl n ASN 63 Ca 0.10 -2.96 -0.43 0.00 -0.60 0.00 0.00 54.58 50.70 2jwl n ASN 63 Cb 0.45 -0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 39.13 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 -2.73 3.79 -0.06 -0.44 -4.23 -1.26 -4.96 115.64 105.74 2jwl s THR 64 Ca 0.43 0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 61.57 2jwl s THR 64 Cb 0.34 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.44 2jwl s THR 64 CO 0.10 -0.18 1.75 -0.76 -0.54 0.00 0.00 174.62 175.00 2jwl s LEU 65 N 4.39 4.24 -0.25 4.79 2.01 -1.26 -4.84 118.68 127.76 2jwl s LEU 65 Ca 0.68 2.23 -0.09 0.00 0.01 0.00 0.00 54.13 56.96 2jwl s LEU 65 Cb -0.27 -3.53 -0.04 0.00 0.01 0.00 0.00 46.19 42.36 2jwl s LEU 65 CO 0.26 -1.06 0.13 -0.36 1.01 0.00 0.00 176.35 176.33 2jwl s PHE 66 N 4.53 3.19 -0.00 0.29 0.08 -1.26 -0.89 117.98 123.92 2jwl s PHE 66 Ca 0.78 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.80 2jwl s PHE 66 Cb -0.34 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 39.82 2jwl s PHE 66 CO 0.33 -0.15 -0.06 -0.48 -0.10 0.00 0.00 175.22 174.75 2jwl s LEU 67 N 1.44 2.03 -0.07 -0.37 0.05 -1.02 -5.04 118.68 115.71 2jwl s LEU 67 Ca 0.06 -0.15 0.04 0.00 0.05 0.00 0.00 54.13 54.13 2jwl s LEU 67 Cb -0.15 -0.31 0.00 0.00 -2.05 0.00 0.00 46.19 43.68 2jwl s LEU 67 CO 0.06 0.05 -0.19 -0.69 -0.55 0.00 0.00 176.35 175.04 2jwl s VAL 68 N -0.25 1.64 0.02 1.48 1.01 -1.26 -1.67 120.40 121.37 2jwl s VAL 68 Ca 0.01 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2jwl s VAL 68 Cb -0.03 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2jwl s VAL 68 CO -0.00 0.47 -0.04 -0.83 0.00 0.00 0.00 175.10 174.70 2jwl s GLY 69 N 0.32 0.25 0.21 4.51 0.00 -0.71 -5.01 107.32 106.89 2jwl s GLY 69 Ca -0.13 -0.47 0.09 0.00 0.00 0.00 0.00 44.72 44.22 2jwl s GLY 69 CO 0.05 -0.51 -0.17 -0.32 0.00 0.00 0.00 173.10 172.15 2jwl s GLY 70 N -1.04 1.55 0.74 0.20 0.00 -1.26 -0.80 107.32 106.71 2jwl s GLY 70 Ca -0.09 -1.67 -0.11 0.00 0.00 0.00 0.00 44.72 42.84 2jwl s GLY 70 CO -0.00 -1.75 1.10 0.00 0.00 0.00 0.00 173.10 172.45 2jwl s ALA 71 N -2.55 2.68 0.49 3.20 0.00 -1.01 -4.94 121.76 119.62 2jwl s ALA 71 Ca 0.22 -0.32 0.17 0.00 0.00 0.00 0.00 51.96 52.03 2jwl s ALA 71 Cb -0.03 -3.05 1.19 0.00 0.00 0.00 0.00 23.12 21.23 2jwl s ALA 71 CO 0.09 -1.35 2.08 0.87 0.00 0.00 0.00 175.76 177.45 2jwl h LYS 72 N -0.81 0.00 -0.01 0.00 6.56 -1.97 -2.36 116.57 117.98 2jwl h LYS 72 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 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 0.09 -0.07 0.39 -2.06 0.00 0.00 179.45 178.42 2jwl n GLU 73 N -4.36 1.10 -3.45 3.15 4.71 -1.26 -4.88 120.64 115.65 2jwl n GLU 73 Ca -0.03 -0.47 -0.38 0.00 -0.01 0.00 0.00 57.16 56.28 2jwl n GLU 73 Cb 0.17 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.05 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 -2.23 5.12 0.42 2.62 0.11 -0.89 -5.03 120.40 120.53 2jwl s VAL 74 Ca 0.35 0.83 -0.25 0.00 -2.93 0.00 0.00 61.98 59.98 2jwl s VAL 74 Cb 0.21 -3.73 -0.08 0.00 -1.53 0.00 0.00 36.38 31.24 2jwl s VAL 74 CO 0.41 0.47 1.29 -2.16 -3.33 0.00 0.00 175.10 171.79 2jwl s PRO 75 N -0.32 3.88 0.39 1.54 0.04 -1.26 -4.87 135.00 134.40 2jwl s PRO 75 Ca 0.23 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.45 2jwl s PRO 75 Cb -0.16 -2.68 0.77 0.00 0.04 0.00 0.00 34.50 32.48 2jwl s PRO 75 CO 0.11 -0.55 2.01 -0.92 0.04 0.00 0.00 177.00 177.69 2jwl h TYR 76 N 2.51 0.55 -0.52 0.56 3.20 -1.97 -1.79 116.97 119.51 2jwl h TYR 76 Ca -0.50 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.50 2jwl h TYR 76 Cb 1.25 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 2jwl h TYR 76 CO 0.53 0.40 0.36 0.93 -1.64 0.00 0.00 178.16 178.74 2jwl h GLU 77 N 0.57 0.09 -0.00 1.82 4.39 -2.00 -0.07 114.58 119.38 2jwl h GLU 77 Ca 0.15 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.64 2jwl h GLU 77 Cb 0.04 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2jwl h GLU 77 CO -0.02 0.06 -0.87 0.93 -1.16 0.00 0.00 179.01 177.95 2jwl h GLU 78 N 0.10 0.22 -0.71 2.33 3.07 -1.70 -2.54 114.58 115.35 2jwl h GLU 78 Ca 0.25 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 2jwl h GLU 78 Cb 0.85 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.79 2jwl h GLU 78 CO -0.02 0.96 0.20 0.28 -1.40 0.00 0.00 179.01 179.03 2jwl h VAL 79 N 0.13 1.26 -0.15 3.13 2.07 -1.04 -0.57 116.25 121.07 2jwl h VAL 79 Ca -0.05 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2jwl h VAL 79 Cb 1.50 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2jwl h VAL 79 CO 0.14 0.36 0.10 0.40 0.02 0.00 0.00 177.57 178.58 2jwl h ILE 80 N 1.06 1.04 -0.61 4.57 1.08 -1.30 -1.03 117.51 122.31 2jwl h ILE 80 Ca 0.23 -0.07 0.08 0.00 -0.39 0.00 0.00 64.86 64.70 2jwl h ILE 80 Cb 0.33 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.84 2jwl h ILE 80 CO -0.00 0.04 0.27 0.11 -0.69 0.00 0.00 178.15 177.88 2jwl h LYS 81 N 0.20 0.48 -0.05 2.37 6.56 -1.01 0.33 116.57 125.45 2jwl h LYS 81 Ca 0.06 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.63 2jwl h LYS 81 Cb -0.02 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.51 2jwl h LYS 81 CO -0.01 0.32 -0.03 0.00 -2.06 0.00 0.00 179.45 177.66 2jwl h ALA 82 N 1.38 0.01 -0.82 3.86 0.00 -0.63 0.26 119.26 123.33 2jwl h ALA 82 Ca 0.30 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.23 2jwl h ALA 82 Cb 0.30 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2jwl h ALA 82 CO -0.25 -0.51 0.53 -0.07 0.00 0.00 0.00 179.25 178.95 2jwl h LEU 83 N -0.04 0.95 -0.74 0.00 3.38 -0.62 -1.56 115.31 116.68 2jwl h LEU 83 Ca 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jwl h LEU 83 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2jwl h LEU 83 CO -0.08 0.70 0.38 -1.13 0.09 0.00 0.00 178.44 178.41 2jwl h ASN 84 N 1.12 0.95 -0.76 -0.43 -0.73 0.60 -1.87 115.58 114.46 2jwl h ASN 84 Ca 0.30 -0.12 -0.05 0.00 1.87 0.00 0.00 56.30 58.30 2jwl h ASN 84 Cb -0.11 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.20 2jwl h ASN 84 CO -0.06 0.80 0.28 -0.07 -0.37 0.00 0.00 177.43 178.00 2jwl h LEU 85 N 1.03 1.07 -0.60 0.34 3.38 0.45 -1.21 115.31 119.78 2jwl h LEU 85 Ca 0.26 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2jwl h LEU 85 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2jwl h LEU 85 CO -0.04 0.97 0.13 -0.07 0.09 0.00 0.00 178.44 179.52 2jwl h LEU 86 N 1.12 0.93 -0.84 1.67 -0.00 -1.09 -2.61 115.31 114.49 2jwl h LEU 86 Ca 0.25 -0.24 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 2jwl h LEU 86 Cb 0.25 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.63 2jwl h LEU 86 CO -0.02 0.93 0.36 -0.74 -0.00 0.00 0.00 178.44 178.98 2jwl h HIS 87 N 0.88 1.22 -0.96 1.13 2.76 -0.99 0.23 115.15 119.42 2jwl h HIS 87 Ca 0.19 -0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2jwl h HIS 87 Cb 0.38 -0.37 -0.06 0.00 1.55 0.00 0.00 27.41 28.91 2jwl h HIS 87 CO 0.03 0.90 0.62 1.25 -1.30 0.00 0.00 177.93 179.44 2jwl h LEU 88 N 1.19 0.99 -1.32 0.26 6.46 -0.87 -0.94 115.31 121.09 2jwl h LEU 88 Ca 0.28 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2jwl h LEU 88 Cb 0.17 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2jwl h LEU 88 CO -0.03 0.65 0.00 0.00 -0.62 0.00 0.00 178.44 178.44 2jwl n ALA 89 N -2.38 2.49 -3.19 1.25 0.00 -1.01 -4.92 120.51 112.74 2jwl n ALA 89 Ca 0.14 -0.62 -0.15 0.00 0.00 0.00 0.00 53.44 52.81 2jwl n ALA 89 Cb 0.17 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 18.70 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 1.00 -0.13 0.10 0.00 0.00 -0.36 -4.93 105.19 100.88 2jwl n GLY 90 Ca 0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.92 1.58 0.48 -0.61 -0.00 0.04 -5.01 119.36 111.91 2jwl n ILE 91 Ca -0.07 -0.78 0.06 0.00 -0.00 0.00 0.00 62.75 61.96 2jwl n ILE 91 Cb 0.57 -1.04 0.05 0.00 -0.00 0.00 0.00 39.64 39.22 2jwl n ILE 91 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84