#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 -3.57 1.61 3.41 -1.26 -5.01 113.62 108.80 2jwl n SER 20 Ca 0.00 0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.77 2jwl n SER 20 Cb 0.00 -0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 63.53 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 -0.67 -0.65 0.00 -3.33 1.01 -1.26 -5.00 120.40 110.49 2jwl s VAL 21 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2jwl s VAL 21 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.67 2jwl s VAL 21 CO 0.00 0.02 0.00 -2.65 0.00 0.00 0.00 175.10 172.47 2jwl n PRO 22 N 5.39 0.57 -3.76 2.72 -0.02 -1.26 -2.83 135.00 135.81 2jwl n PRO 22 Ca -0.07 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.04 2jwl n PRO 22 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.85 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 -0.36 4.20 -0.12 -1.45 1.01 -0.06 -3.10 120.40 120.52 2jwl s VAL 23 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2jwl s VAL 23 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2jwl s VAL 23 CO 0.00 0.28 -0.18 -0.63 0.00 0.00 0.00 175.10 174.57 2jwl s ILE 24 N 1.58 2.62 -0.14 2.22 1.09 -0.19 -2.20 121.20 126.18 2jwl s ILE 24 Ca 0.06 -0.82 0.01 0.00 -1.10 0.00 0.00 60.65 58.80 2jwl s ILE 24 Cb -0.16 -2.06 0.00 0.00 -1.06 0.00 0.00 42.46 39.18 2jwl s ILE 24 CO 0.03 0.54 -0.18 -0.22 -0.10 0.00 0.00 174.94 175.01 2jwl s LEU 25 N 0.38 2.33 -0.10 2.97 0.20 -0.66 0.01 118.68 123.80 2jwl s LEU 25 Ca -0.14 -0.51 0.03 0.00 0.69 0.00 0.00 54.13 54.19 2jwl s LEU 25 Cb -0.17 -1.51 -0.01 0.00 -0.43 0.00 0.00 46.19 44.07 2jwl s LEU 25 CO 0.07 0.10 -0.19 -1.61 -0.29 0.00 0.00 176.35 174.42 2jwl s GLU 26 N 0.74 3.09 -0.69 1.98 0.41 0.88 -1.61 118.70 123.49 2jwl s GLU 26 Ca -0.08 -0.79 -0.21 0.00 -0.41 0.00 0.00 54.97 53.49 2jwl s GLU 26 Cb -0.16 -2.42 0.09 0.00 -1.78 0.00 0.00 34.13 29.86 2jwl s GLU 26 CO 0.01 0.25 0.91 0.08 -0.49 0.00 0.00 175.26 176.02 2jwl s VAL 27 N 0.20 4.56 -0.23 2.63 1.01 0.17 -1.08 120.40 127.66 2jwl s VAL 27 Ca -0.12 -0.79 0.27 0.00 0.00 0.00 0.00 61.98 61.34 2jwl s VAL 27 Cb -0.16 -4.64 0.36 0.00 0.00 0.00 0.00 36.38 31.94 2jwl s VAL 27 CO 0.06 -1.36 1.76 0.00 0.00 0.00 0.00 175.10 175.56 2jwl h ALA 28 N 9.30 1.00 -3.00 5.51 0.00 -1.64 -2.57 119.26 127.87 2jwl h ALA 28 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jwl h ALA 28 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jwl h ALA 28 CO 1.14 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.80 2jwl n GLY 29 N 0.69 -0.13 3.03 0.00 0.00 -1.21 -4.88 105.19 102.70 2jwl n GLY 29 Ca 0.03 0.57 -0.33 0.00 0.00 0.00 0.00 46.02 46.28 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 2.89 3.30 0.00 -0.61 -1.09 -1.26 -4.62 121.20 119.80 2jwl s ILE 30 Ca 0.00 -3.31 0.00 0.00 -2.23 0.00 0.00 60.65 55.11 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 -0.88 0.00 0.61 -1.23 0.00 0.00 174.94 173.44 2jwl n GLY 31 N 3.08 0.33 3.61 6.18 0.00 -1.26 -5.07 105.19 112.06 2jwl n GLY 31 Ca 0.09 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 -0.93 3.70 0.05 1.61 3.01 -1.26 -4.29 119.74 121.63 2jwl s LYS 32 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 55.97 54.56 2jwl s LYS 32 Cb 0.00 -3.05 -0.03 0.00 -1.01 0.00 0.00 37.83 33.74 2jwl s LYS 32 CO 0.00 0.35 -0.05 0.71 0.51 0.00 0.00 175.35 176.87 2jwl s TYR 33 N 0.11 0.58 0.01 3.18 1.51 -0.83 -1.66 117.35 120.26 2jwl s TYR 33 Ca 0.03 -0.82 0.07 0.00 -1.01 0.00 0.00 57.07 55.34 2jwl s TYR 33 Cb -0.13 -0.38 -0.02 0.00 -0.11 0.00 0.00 41.96 41.32 2jwl s TYR 33 CO 0.01 -0.23 -0.21 0.00 -1.11 0.00 0.00 175.55 174.02 2jwl s ALA 34 N -2.89 1.72 -0.04 3.71 0.00 -0.24 -1.45 121.76 122.57 2jwl s ALA 34 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2jwl s ALA 34 Cb 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2jwl s ALA 34 CO -0.05 0.41 -0.09 0.96 0.00 0.00 0.00 175.76 176.98 2jwl s ILE 35 N -0.62 0.85 -0.29 0.00 -4.36 0.01 -0.09 121.20 116.71 2jwl s ILE 35 Ca 0.08 -0.37 -0.05 0.00 -0.26 0.00 0.00 60.65 60.05 2jwl s ILE 35 Cb -0.08 -0.77 0.02 0.00 1.25 0.00 0.00 42.46 42.88 2jwl s ILE 35 CO 0.00 0.27 0.03 -0.55 0.24 0.00 0.00 174.94 174.94 2jwl s SER 36 N 0.38 4.89 -0.34 4.36 0.15 0.10 -0.06 113.70 123.17 2jwl s SER 36 Ca -0.07 -0.88 -0.05 0.00 0.70 0.00 0.00 55.95 55.65 2jwl s SER 36 Cb -0.11 -1.79 0.05 0.00 -1.71 0.00 0.00 66.02 62.46 2jwl s SER 36 CO 0.01 -0.20 0.11 -0.63 1.20 0.00 0.00 173.24 173.73 2jwl s ILE 37 N 1.40 3.60 -1.49 6.45 1.01 0.20 -1.02 121.20 131.35 2jwl s ILE 37 Ca 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 60.65 59.31 2jwl s ILE 37 Cb -0.18 -3.10 0.03 0.00 0.01 0.00 0.00 42.46 39.22 2jwl s ILE 37 CO 0.00 -0.25 0.41 0.61 0.00 0.00 0.00 174.94 175.71 2jwl n GLY 38 N 4.76 -0.24 0.98 6.18 0.00 -1.13 -1.00 105.19 114.74 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 -1.98 3.10 3.70 -0.02 0.00 -1.26 -4.81 105.19 103.91 2jwl n GLY 39 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.33 4.32 -0.16 1.61 2.12 -0.17 -5.06 118.70 121.03 2jwl s GLU 40 Ca 0.00 0.59 -0.06 0.00 0.36 0.00 0.00 54.97 55.86 2jwl s GLU 40 Cb 0.00 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2jwl s GLU 40 CO 0.00 0.01 0.04 0.50 -0.54 0.00 0.00 175.26 175.26 2jwl s ARG 41 N 1.08 3.71 -0.12 4.30 3.00 -1.26 0.62 118.95 130.29 2jwl s ARG 41 Ca 0.29 -0.38 0.03 0.00 -1.00 0.00 0.00 55.73 54.67 2jwl s ARG 41 Cb -0.16 -3.08 0.00 0.00 0.00 0.00 0.00 34.95 31.72 2jwl s ARG 41 CO 0.12 0.37 -0.22 -0.65 0.00 0.00 0.00 175.30 174.93 2jwl s GLN 42 N 0.06 3.08 0.21 5.12 -0.21 0.92 -4.98 119.66 123.85 2jwl s GLN 42 Ca 0.04 -0.85 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 0.10 -0.16 -2.00 -2.12 0.00 0.00 175.29 171.13 2jwl s GLU 43 N 0.54 1.82 0.00 2.91 2.12 -1.26 -0.81 118.70 124.01 2jwl s GLU 43 Ca -0.13 -1.45 0.00 0.00 0.36 0.00 0.00 54.97 53.74 2jwl s GLU 43 Cb -0.17 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2jwl s GLU 43 CO 0.04 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2jwl n GLY 44 N -0.05 0.47 3.86 -1.50 0.00 -1.22 -5.03 105.19 101.72 2jwl n GLY 44 Ca -0.10 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 4.13 0.62 0.99 1.43 -0.53 -4.92 118.68 120.40 2jwl s LEU 45 Ca 0.00 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 2jwl s LEU 45 Cb 0.00 -3.85 0.07 0.00 0.03 0.00 0.00 46.19 42.43 2jwl s LEU 45 CO 0.00 -0.13 0.86 0.42 0.23 0.00 0.00 176.35 177.73 2jwl s THR 46 N -1.88 2.45 0.08 5.49 -4.23 -1.26 -1.96 115.64 114.33 2jwl s THR 46 Ca 0.50 -0.64 -0.18 0.00 -1.18 0.00 0.00 61.69 60.19 2jwl s THR 46 Cb -0.11 -2.81 -0.09 0.00 1.34 0.00 0.00 72.50 70.83 2jwl s THR 46 CO 0.19 0.00 1.46 -0.33 -0.54 0.00 0.00 174.62 175.41 2jwl h GLU 47 N -0.16 0.49 -0.76 3.99 5.08 -1.99 0.58 114.58 121.81 2jwl h GLU 47 Ca -0.40 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 57.73 2jwl h GLU 47 Cb 1.29 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2jwl h GLU 47 CO 0.48 0.72 0.33 1.49 -1.00 0.00 0.00 179.01 181.03 2jwl h GLU 48 N 0.22 1.10 -0.24 2.33 4.81 -1.97 -2.07 114.58 118.77 2jwl h GLU 48 Ca 0.06 -0.18 -0.20 0.00 -0.13 0.00 0.00 59.36 58.91 2jwl h GLU 48 Cb 0.56 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2jwl h GLU 48 CO 0.03 0.88 -0.64 1.98 -0.73 0.00 0.00 179.01 180.52 2jwl h MET 49 N 1.09 0.85 -0.55 1.92 4.05 -1.94 -2.54 114.93 117.81 2jwl h MET 49 Ca 0.26 -0.60 -0.00 0.00 -0.28 0.00 0.00 59.70 59.07 2jwl h MET 49 Cb 0.17 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 2jwl h MET 49 CO -0.03 1.23 0.33 -0.24 0.23 0.00 0.00 176.91 178.43 2jwl h VAL 50 N 0.63 1.15 0.07 -5.77 3.04 -0.66 -1.48 116.25 113.23 2jwl h VAL 50 Ca -0.01 -0.33 -0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2jwl h VAL 50 Cb 1.26 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 2jwl h VAL 50 CO 0.14 0.16 -0.03 0.74 -1.01 0.00 0.00 177.57 177.57 2jwl h THR 51 N 0.75 1.08 -0.37 3.17 2.02 -1.29 -0.23 112.91 118.04 2jwl h THR 51 Ca 0.20 -0.51 0.08 0.00 0.77 0.00 0.00 66.41 66.95 2jwl h THR 51 Cb -0.04 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 67.70 2jwl h THR 51 CO -0.04 0.13 -0.17 -0.61 0.37 0.00 0.00 175.52 175.19 2jwl h GLN 52 N -0.32 -0.11 -0.13 6.66 4.15 -0.99 0.86 115.11 125.25 2jwl h GLN 52 Ca -0.01 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2jwl h GLN 52 Cb 0.28 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2jwl h GLN 52 CO 0.02 -0.07 0.02 -0.07 -1.93 0.00 0.00 178.83 176.80 2jwl h LEU 53 N -0.11 0.20 -0.66 -2.39 3.38 -1.26 -1.29 115.31 113.18 2jwl h LEU 53 Ca 0.18 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2jwl h LEU 53 Cb 0.39 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2jwl h LEU 53 CO -0.44 0.40 0.39 0.28 0.09 0.00 0.00 178.44 179.16 2jwl h SER 54 N -0.01 0.61 -0.41 -0.43 0.02 -0.62 -0.72 113.55 111.99 2jwl h SER 54 Ca 0.04 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2jwl h SER 54 Cb 0.29 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2jwl h SER 54 CO 0.00 0.41 0.02 -0.09 -1.14 0.00 0.00 176.83 176.03 2jwl h ARG 55 N 0.74 0.71 -0.65 3.45 1.12 -0.78 -1.77 114.38 117.20 2jwl h ARG 55 Ca 0.28 -0.21 -0.08 0.00 -1.11 0.00 0.00 59.98 58.86 2jwl h ARG 55 Cb 0.11 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 29.97 2jwl h ARG 55 CO -0.15 0.78 0.11 1.96 -3.11 0.00 0.00 179.97 179.56 2jwl h GLN 56 N 0.55 1.07 -0.25 0.20 4.20 -0.85 -1.41 115.11 118.61 2jwl h GLN 56 Ca 0.12 -0.28 -0.16 0.00 0.06 0.00 0.00 58.65 58.40 2jwl h GLN 56 Cb 0.44 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2jwl h GLN 56 CO 0.02 0.97 -0.48 0.93 -0.67 0.00 0.00 178.83 179.60 2jwl h GLU 57 N 1.00 0.67 -0.05 1.46 4.39 -1.06 -2.80 114.58 118.19 2jwl h GLU 57 Ca 0.20 -0.39 -0.13 0.00 0.34 0.00 0.00 59.36 59.38 2jwl h GLU 57 Cb 0.42 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2jwl h GLU 57 CO 0.01 1.00 -0.58 0.35 -1.16 0.00 0.00 179.01 178.63 2jwl h PHE 58 N 0.53 0.20 0.00 4.33 3.57 -1.14 -1.64 116.94 122.79 2jwl h PHE 58 Ca 0.03 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 2jwl h PHE 58 Cb 1.03 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2jwl h PHE 58 CO 0.05 0.70 -0.44 0.22 -2.23 0.00 0.00 178.31 176.61 2jwl h ASP 59 N 0.12 0.00 0.39 0.41 3.58 -1.19 -3.20 116.42 116.52 2jwl h ASP 59 Ca -0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 2jwl h ASP 59 Cb 1.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2jwl h ASP 59 CO 0.08 0.44 -1.58 0.50 -2.88 0.00 0.00 179.24 175.80 2jwl h LYS 60 N 0.00 0.29 -4.12 0.28 3.64 -1.38 -3.44 116.57 111.84 2jwl h LYS 60 Ca -0.00 -0.49 -0.58 0.00 -1.27 0.00 0.00 60.65 58.30 2jwl h LYS 60 Cb 1.03 0.18 -0.39 0.00 -0.41 0.00 0.00 32.23 32.65 2jwl h LYS 60 CO 0.06 1.16 -0.78 -0.51 -2.27 0.00 0.00 179.45 177.11 2jwl s ASP 61 N -7.06 3.48 0.17 4.20 1.11 -0.63 -5.00 116.67 112.93 2jwl s ASP 61 Ca -0.10 -1.02 0.27 0.00 0.18 0.00 0.00 52.55 51.88 2jwl s ASP 61 Cb 0.06 -1.00 0.89 0.00 1.07 0.00 0.00 42.92 43.95 2jwl s ASP 61 CO 0.86 -0.25 1.80 0.59 1.18 0.00 0.00 175.17 179.35 2jwl n ASN 62 N 4.79 0.65 -1.66 0.27 4.13 -1.23 -3.46 115.26 118.74 2jwl n ASN 62 Ca -0.11 0.55 0.07 0.00 1.68 0.00 0.00 54.58 56.78 2jwl n ASN 62 Cb 0.45 -0.72 0.37 0.00 -1.54 0.00 0.00 39.78 38.34 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 -2.10 5.32 -4.64 6.41 5.15 -1.26 -4.97 115.26 119.16 2jwl n ASN 63 Ca 0.06 -2.95 -0.43 0.00 -0.60 0.00 0.00 54.58 50.66 2jwl n ASN 63 Cb 0.41 -0.65 -0.02 0.00 -0.53 0.00 0.00 39.78 38.98 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 3.78 -0.08 -0.44 -4.23 -1.23 -4.96 115.64 105.71 2jwl s THR 64 Ca 0.52 0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 61.64 2jwl s THR 64 Cb 0.40 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.48 2jwl s THR 64 CO 0.14 -0.22 1.58 -0.22 -0.54 0.00 0.00 174.62 175.36 2jwl s LEU 65 N 4.60 4.29 -0.19 4.79 2.96 -1.26 -4.86 118.68 129.01 2jwl s LEU 65 Ca 0.68 2.13 -0.07 0.00 -0.22 0.00 0.00 54.13 56.65 2jwl s LEU 65 Cb -0.26 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2jwl s LEU 65 CO 0.27 -0.89 0.06 -0.36 -1.32 0.00 0.00 176.35 174.10 2jwl s PHE 66 N 3.94 3.22 -0.00 5.38 0.08 -1.26 -0.89 117.98 128.45 2jwl s PHE 66 Ca 0.70 0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.77 2jwl s PHE 66 Cb -0.31 -2.10 -0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2jwl s PHE 66 CO 0.27 0.08 -0.04 -0.48 -0.10 0.00 0.00 175.22 174.95 2jwl s LEU 67 N 0.55 2.02 -0.07 -0.37 0.05 -0.94 -5.02 118.68 114.90 2jwl s LEU 67 Ca 0.03 -0.09 0.04 0.00 0.05 0.00 0.00 54.13 54.16 2jwl s LEU 67 Cb -0.13 -0.18 -0.00 0.00 -2.05 0.00 0.00 46.19 43.84 2jwl s LEU 67 CO 0.01 0.03 -0.20 -0.69 -0.55 0.00 0.00 176.35 174.95 2jwl s VAL 68 N -0.16 1.72 0.02 1.48 1.01 -1.26 -1.66 120.40 121.55 2jwl s VAL 68 Ca 0.01 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2jwl s VAL 68 Cb -0.02 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2jwl s VAL 68 CO -0.00 0.49 -0.04 -0.83 0.00 0.00 0.00 175.10 174.72 2jwl s GLY 69 N 0.22 0.24 0.19 4.51 0.00 -0.64 -5.01 107.32 106.84 2jwl s GLY 69 Ca -0.11 -0.44 0.10 0.00 0.00 0.00 0.00 44.72 44.27 2jwl s GLY 69 CO 0.05 -0.47 -0.20 -0.32 0.00 0.00 0.00 173.10 172.15 2jwl s GLY 70 N -0.96 1.57 0.75 0.20 0.00 -1.26 -0.65 107.32 106.96 2jwl s GLY 70 Ca -0.09 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 2jwl s GLY 70 CO -0.00 -1.64 1.11 0.00 0.00 0.00 0.00 173.10 172.57 2jwl s ALA 71 N -1.99 2.70 0.50 3.20 0.00 -0.97 -4.94 121.76 120.27 2jwl s ALA 71 Ca 0.19 -0.38 0.18 0.00 0.00 0.00 0.00 51.96 51.96 2jwl s ALA 71 Cb -0.06 -3.03 1.27 0.00 0.00 0.00 0.00 23.12 21.30 2jwl s ALA 71 CO 0.09 -1.37 2.11 0.87 0.00 0.00 0.00 175.76 177.45 2jwl h LYS 72 N -0.83 0.00 -0.01 0.00 6.56 -1.97 -2.37 116.57 117.96 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 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2jwl h LYS 72 CO 0.63 0.07 -0.06 0.39 -2.06 0.00 0.00 179.45 178.42 2jwl n GLU 73 N -4.31 1.12 -3.52 3.15 1.02 -1.26 -4.88 120.64 111.95 2jwl n GLU 73 Ca -0.03 -0.48 -0.37 0.00 -0.02 0.00 0.00 57.16 56.26 2jwl n GLU 73 Cb 0.15 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.02 2jwl n GLU 73 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jwl s VAL 74 N -2.21 5.18 0.43 2.62 0.11 -0.89 -5.02 120.40 120.61 2jwl s VAL 74 Ca 0.36 0.71 -0.25 0.00 -2.93 0.00 0.00 61.98 59.87 2jwl s VAL 74 Cb 0.21 -3.67 -0.08 0.00 -1.53 0.00 0.00 36.38 31.30 2jwl s VAL 74 CO 0.41 0.50 1.27 -2.16 -3.33 0.00 0.00 175.10 171.79 2jwl s PRO 75 N -0.43 3.87 0.38 1.54 0.04 -1.26 -4.87 135.00 134.27 2jwl s PRO 75 Ca 0.21 2.08 0.05 0.00 0.04 0.00 0.00 61.00 63.38 2jwl s PRO 75 Cb -0.15 -2.65 0.74 0.00 0.04 0.00 0.00 34.50 32.48 2jwl s PRO 75 CO 0.09 -0.55 2.00 -0.92 0.04 0.00 0.00 177.00 177.66 2jwl h TYR 76 N 2.47 0.57 -0.49 0.56 3.20 -1.97 -1.79 116.97 119.53 2jwl h TYR 76 Ca -0.50 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.50 2jwl h TYR 76 Cb 1.25 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 2jwl h TYR 76 CO 0.53 0.42 0.34 0.93 -1.64 0.00 0.00 178.16 178.74 2jwl h GLU 77 N 0.59 0.07 -0.00 1.82 4.39 -2.00 0.01 114.58 119.46 2jwl h GLU 77 Ca 0.15 -0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.65 2jwl h GLU 77 Cb 0.05 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jwl h GLU 77 CO -0.02 0.05 -0.87 0.93 -1.16 0.00 0.00 179.01 177.94 2jwl h GLU 78 N 0.07 0.25 -0.75 2.33 3.07 -1.70 -2.55 114.58 115.31 2jwl h GLU 78 Ca 0.23 -0.26 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 2jwl h GLU 78 Cb 0.82 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.78 2jwl h GLU 78 CO -0.02 0.97 0.24 0.28 -1.40 0.00 0.00 179.01 179.09 2jwl h VAL 79 N 0.14 1.26 -0.14 3.13 2.07 -1.02 -0.48 116.25 121.22 2jwl h VAL 79 Ca -0.05 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2jwl h VAL 79 Cb 1.49 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2jwl h VAL 79 CO 0.14 0.35 0.09 0.40 0.02 0.00 0.00 177.57 178.57 2jwl h ILE 80 N 1.11 1.04 -0.63 4.57 1.08 -1.29 -0.98 117.51 122.42 2jwl h ILE 80 Ca 0.24 -0.09 0.08 0.00 -0.39 0.00 0.00 64.86 64.70 2jwl h ILE 80 Cb 0.29 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 34.84 2jwl h ILE 80 CO -0.01 0.04 0.29 0.11 -0.69 0.00 0.00 178.15 177.89 2jwl h LYS 81 N 0.18 0.51 -0.05 2.37 6.56 -1.02 0.31 116.57 125.43 2jwl h LYS 81 Ca 0.05 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.62 2jwl h LYS 81 Cb -0.01 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 2jwl h LYS 81 CO -0.01 0.34 -0.04 0.00 -2.06 0.00 0.00 179.45 177.68 2jwl h ALA 82 N 1.38 0.01 -0.80 3.86 0.00 -0.61 0.23 119.26 123.34 2jwl h ALA 82 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2jwl h ALA 82 Cb 0.30 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2jwl h ALA 82 CO -0.25 -0.52 0.52 -0.07 0.00 0.00 0.00 179.25 178.93 2jwl h LEU 83 N -0.05 0.93 -0.71 0.00 3.38 -0.61 -1.64 115.31 116.62 2jwl h LEU 83 Ca 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2jwl h LEU 83 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2jwl h LEU 83 CO -0.08 0.69 0.38 -1.13 0.09 0.00 0.00 178.44 178.39 2jwl h ASN 84 N 1.09 0.90 -0.65 -0.43 -0.73 0.59 -1.78 115.58 114.57 2jwl h ASN 84 Ca 0.29 -0.10 -0.06 0.00 1.87 0.00 0.00 56.30 58.30 2jwl h ASN 84 Cb -0.10 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.23 2jwl h ASN 84 CO -0.06 0.75 0.19 -0.07 -0.37 0.00 0.00 177.43 177.87 2jwl h LEU 85 N 0.98 0.98 -0.56 0.34 3.38 0.34 -1.27 115.31 119.51 2jwl h LEU 85 Ca 0.25 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2jwl h LEU 85 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2jwl h LEU 85 CO -0.04 0.93 0.09 -0.07 0.09 0.00 0.00 178.44 179.44 2jwl h LEU 86 N 1.01 0.90 -0.86 1.67 -0.00 -1.07 -2.64 115.31 114.31 2jwl h LEU 86 Ca 0.22 -0.26 -0.04 0.00 -0.00 0.00 0.00 57.88 57.80 2jwl h LEU 86 Cb 0.31 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.70 2jwl h LEU 86 CO -0.00 0.93 0.35 -0.74 -0.00 0.00 0.00 178.44 178.98 2jwl h HIS 87 N 0.83 1.19 -0.92 1.13 2.76 -0.99 -0.06 115.15 119.09 2jwl h HIS 87 Ca 0.17 -0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 2jwl h HIS 87 Cb 0.42 -0.36 -0.06 0.00 1.55 0.00 0.00 27.41 28.96 2jwl h HIS 87 CO 0.03 0.88 0.60 1.25 -1.30 0.00 0.00 177.93 179.39 2jwl h LEU 88 N 1.16 0.93 -1.33 0.26 6.46 -0.90 -0.87 115.31 121.02 2jwl h LEU 88 Ca 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2jwl h LEU 88 Cb 0.17 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2jwl h LEU 88 CO -0.03 0.60 0.00 0.00 -0.62 0.00 0.00 178.44 178.39 2jwl n ALA 89 N -2.39 2.45 -3.13 1.25 0.00 -0.97 -4.93 120.51 112.79 2jwl n ALA 89 Ca 0.14 -0.63 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 2jwl n ALA 89 Cb 0.19 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 1.09 -0.07 0.10 0.00 0.00 -0.33 -4.91 105.19 101.06 2jwl n GLY 90 Ca 0.13 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.76 1.59 1.27 -0.61 -0.00 -0.07 -5.01 119.36 112.76 2jwl n ILE 91 Ca -0.07 -0.77 0.13 0.00 -0.00 0.00 0.00 62.75 62.03 2jwl n ILE 91 Cb 0.57 -1.07 0.33 0.00 -0.00 0.00 0.00 39.64 39.47 2jwl n ILE 91 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72