#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 -3.52 1.61 7.64 -1.26 -4.97 113.62 113.12 2jwl n SER 20 Ca 0.00 0.39 -0.08 0.00 1.01 0.00 0.00 58.87 60.19 2jwl n SER 20 Cb 0.00 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.72 2jwl n SER 20 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jwl s VAL 21 N -0.78 -0.64 0.12 0.44 1.01 -1.26 -5.01 120.40 114.28 2jwl s VAL 21 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 2jwl s VAL 21 Cb 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2jwl s VAL 21 CO 0.00 -0.01 0.04 -2.65 0.00 0.00 0.00 175.10 172.49 2jwl n PRO 22 N 5.38 0.43 -3.74 2.72 -0.02 -1.26 -2.91 135.00 135.60 2jwl n PRO 22 Ca -0.06 -0.07 -0.37 0.00 -2.02 0.00 0.00 63.50 60.98 2jwl n PRO 22 Cb 0.50 -0.18 -0.12 0.00 -0.02 0.00 0.00 33.50 33.67 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 -0.59 4.33 -0.13 -1.45 1.01 -0.53 -3.08 120.40 119.95 2jwl s VAL 23 Ca 0.03 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2jwl s VAL 23 Cb -0.01 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2jwl s VAL 23 CO 0.03 0.28 -0.15 -0.63 0.00 0.00 0.00 175.10 174.62 2jwl s ILE 24 N 1.61 2.79 -0.16 2.22 1.09 0.04 -2.10 121.20 126.69 2jwl s ILE 24 Ca 0.06 -0.75 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2jwl s ILE 24 Cb -0.16 -2.16 -0.00 0.00 -1.06 0.00 0.00 42.46 39.08 2jwl s ILE 24 CO 0.04 0.53 -0.15 -0.22 -0.10 0.00 0.00 174.94 175.04 2jwl s LEU 25 N 0.49 2.50 -0.11 2.97 0.20 -0.65 0.36 118.68 124.44 2jwl s LEU 25 Ca -0.11 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.27 2jwl s LEU 25 Cb -0.16 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 44.02 2jwl s LEU 25 CO 0.05 0.09 -0.18 -0.70 -0.29 0.00 0.00 176.35 175.31 2jwl s GLU 26 N 0.81 3.19 -0.70 1.98 2.56 0.12 -1.03 118.70 125.63 2jwl s GLU 26 Ca -0.05 -0.77 -0.21 0.00 0.00 0.00 0.00 54.97 53.94 2jwl s GLU 26 Cb -0.15 -2.47 0.09 0.00 2.00 0.00 0.00 34.13 33.60 2jwl s GLU 26 CO 0.00 0.22 0.94 0.08 -0.56 0.00 0.00 175.26 175.93 2jwl s VAL 27 N 0.29 4.54 -0.22 3.70 1.01 0.25 -0.86 120.40 129.11 2jwl s VAL 27 Ca -0.13 -0.78 0.27 0.00 0.00 0.00 0.00 61.98 61.33 2jwl s VAL 27 Cb -0.17 -4.66 0.34 0.00 0.00 0.00 0.00 36.38 31.90 2jwl s VAL 27 CO 0.07 -1.39 1.75 0.00 0.00 0.00 0.00 175.10 175.53 2jwl h ALA 28 N 9.31 0.99 -3.00 5.51 0.00 -1.66 -2.51 119.26 127.90 2jwl h ALA 28 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jwl h ALA 28 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jwl h ALA 28 CO 1.14 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.84 2jwl n GLY 29 N 0.69 0.02 3.04 0.00 0.00 -1.20 -4.90 105.19 102.84 2jwl n GLY 29 Ca 0.03 0.53 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 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 2.77 3.26 0.00 -0.61 -1.09 -1.26 -4.62 121.20 119.65 2jwl s ILE 30 Ca 0.00 -3.12 0.00 0.00 -2.23 0.00 0.00 60.65 55.30 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 3.32 0.45 3.59 6.18 0.00 -1.26 -5.06 105.19 112.41 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 3.78 0.07 1.61 3.01 -1.26 -4.26 119.74 121.82 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 -3.07 -0.03 0.00 -1.01 0.00 0.00 37.83 33.72 2jwl s LYS 32 CO 0.00 0.30 -0.06 0.71 0.51 0.00 0.00 175.35 176.82 2jwl s TYR 33 N 0.25 0.69 0.01 3.18 1.51 -0.85 -1.74 117.35 120.39 2jwl s TYR 33 Ca 0.01 -0.80 0.07 0.00 -1.01 0.00 0.00 57.07 55.34 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 -0.21 0.00 -1.11 0.00 0.00 175.55 174.06 2jwl s ALA 34 N -2.89 1.76 -0.04 3.71 0.00 -0.04 -1.57 121.76 122.69 2jwl s ALA 34 Ca 0.02 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2jwl s ALA 34 Cb 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2jwl s ALA 34 CO -0.04 0.42 -0.10 0.96 0.00 0.00 0.00 175.76 177.00 2jwl s ILE 35 N -0.61 0.88 -0.29 0.00 -4.36 0.13 0.13 121.20 117.08 2jwl s ILE 35 Ca 0.08 -0.37 -0.05 0.00 -0.26 0.00 0.00 60.65 60.04 2jwl s ILE 35 Cb -0.08 -0.80 0.02 0.00 1.25 0.00 0.00 42.46 42.85 2jwl s ILE 35 CO 0.00 0.28 0.04 -0.55 0.24 0.00 0.00 174.94 174.96 2jwl s SER 36 N 0.44 4.95 -0.36 4.36 0.15 0.16 0.07 113.70 123.48 2jwl s SER 36 Ca -0.08 -0.89 -0.06 0.00 0.70 0.00 0.00 55.95 55.62 2jwl s SER 36 Cb -0.12 -1.81 0.05 0.00 -1.71 0.00 0.00 66.02 62.43 2jwl s SER 36 CO 0.01 -0.21 0.13 -0.63 1.20 0.00 0.00 173.24 173.75 2jwl s ILE 37 N 1.42 3.75 -1.49 6.45 1.01 0.21 -0.78 121.20 131.77 2jwl s ILE 37 Ca 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 60.65 59.33 2jwl s ILE 37 Cb -0.18 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.13 2jwl s ILE 37 CO 0.01 -0.28 0.42 0.61 0.00 0.00 0.00 174.94 175.70 2jwl n GLY 38 N 4.79 -0.25 0.90 6.18 0.00 -1.14 -1.03 105.19 114.64 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 -1.97 3.09 3.70 -0.02 0.00 -1.26 -4.83 105.19 103.91 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 -0.54 0.00 0.00 0.00 173.32 172.78 2jwl s GLU 40 N -0.32 4.32 -0.16 1.61 2.02 -0.20 -5.06 118.70 120.91 2jwl s GLU 40 Ca 0.00 0.56 -0.06 0.00 0.02 0.00 0.00 54.97 55.49 2jwl s GLU 40 Cb 0.00 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 2jwl s GLU 40 CO 0.00 0.03 0.04 0.50 0.02 0.00 0.00 175.26 175.85 2jwl s ARG 41 N 1.02 3.77 -0.13 1.61 3.00 -1.26 0.67 118.95 127.62 2jwl s ARG 41 Ca 0.29 -0.37 0.02 0.00 -1.00 0.00 0.00 55.73 54.67 2jwl s ARG 41 Cb -0.16 -3.10 0.00 0.00 0.00 0.00 0.00 34.95 31.69 2jwl s ARG 41 CO 0.12 0.36 -0.20 -0.65 0.00 0.00 0.00 175.30 174.92 2jwl s GLN 42 N 0.12 3.11 0.22 5.12 -0.21 0.11 -4.98 119.66 123.15 2jwl s GLN 42 Ca 0.04 -0.82 0.10 0.00 0.02 0.00 0.00 55.36 54.70 2jwl s GLN 42 Cb -0.12 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 2jwl s GLN 42 CO 0.01 0.08 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.11 2jwl s GLU 43 N 0.61 1.86 0.00 2.91 2.12 -1.26 -0.70 118.70 124.24 2jwl s GLU 43 Ca -0.11 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 53.75 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 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 2jwl n GLY 44 N -0.18 0.46 3.85 -1.50 0.00 -1.22 -5.03 105.19 101.57 2jwl n GLY 44 Ca -0.09 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 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 0.64 0.99 1.43 -0.61 -4.92 118.68 120.34 2jwl s LEU 45 Ca 0.00 1.18 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 2jwl s LEU 45 Cb 0.00 -3.88 0.08 0.00 0.03 0.00 0.00 46.19 42.42 2jwl s LEU 45 CO 0.00 -0.13 0.88 0.42 0.23 0.00 0.00 176.35 177.75 2jwl s THR 46 N -1.87 2.36 0.07 5.49 -4.23 -1.26 -2.02 115.64 114.18 2jwl s THR 46 Ca 0.50 -0.67 -0.19 0.00 -1.18 0.00 0.00 61.69 60.16 2jwl s THR 46 Cb -0.11 -2.69 -0.11 0.00 1.34 0.00 0.00 72.50 70.93 2jwl s THR 46 CO 0.19 0.00 1.42 -0.33 -0.54 0.00 0.00 174.62 175.36 2jwl h GLU 47 N -0.21 0.46 -0.65 3.99 5.08 -1.99 0.11 114.58 121.37 2jwl h GLU 47 Ca -0.38 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 2jwl h GLU 47 Cb 1.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2jwl h GLU 47 CO 0.45 0.74 0.22 1.49 -1.00 0.00 0.00 179.01 180.91 2jwl h GLU 48 N 0.16 0.98 -0.17 2.33 4.81 -1.97 -2.16 114.58 118.57 2jwl h GLU 48 Ca 0.05 -0.19 -0.21 0.00 -0.13 0.00 0.00 59.36 58.88 2jwl h GLU 48 Cb 0.61 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.84 2jwl h GLU 48 CO 0.03 0.83 -0.73 1.98 -0.73 0.00 0.00 179.01 180.40 2jwl h MET 49 N 0.95 0.79 -0.59 1.92 4.05 -1.94 -2.58 114.93 117.54 2jwl h MET 49 Ca 0.21 -0.62 -0.01 0.00 -0.28 0.00 0.00 59.70 59.00 2jwl h MET 49 Cb 0.25 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 2jwl h MET 49 CO -0.01 1.24 0.35 -0.24 0.23 0.00 0.00 176.91 178.47 2jwl h VAL 50 N 0.52 1.17 0.12 -5.77 3.04 -0.60 -1.48 116.25 113.26 2jwl h VAL 50 Ca -0.04 -0.40 -0.01 0.00 -1.01 0.00 0.00 66.70 65.25 2jwl h VAL 50 Cb 1.36 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 2jwl h VAL 50 CO 0.15 0.18 -0.06 0.74 -1.01 0.00 0.00 177.57 177.58 2jwl h THR 51 N 0.82 0.97 -0.37 3.17 2.02 -1.35 0.11 112.91 118.29 2jwl h THR 51 Ca 0.21 -0.35 0.08 0.00 0.77 0.00 0.00 66.41 67.13 2jwl h THR 51 Cb -0.02 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.51 2jwl h THR 51 CO -0.04 0.08 -0.17 -0.61 0.37 0.00 0.00 175.52 175.16 2jwl h GLN 52 N -0.32 -0.10 -0.16 6.66 4.15 -1.01 0.81 115.11 125.14 2jwl h GLN 52 Ca -0.02 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2jwl h GLN 52 Cb 0.26 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2jwl h GLN 52 CO 0.03 -0.06 0.03 -0.07 -1.93 0.00 0.00 178.83 176.82 2jwl h LEU 53 N -0.10 0.26 -0.68 -2.39 3.38 -1.23 -1.26 115.31 113.28 2jwl h LEU 53 Ca 0.18 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jwl h LEU 53 Cb 0.38 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2jwl h LEU 53 CO -0.43 0.45 0.41 0.28 0.09 0.00 0.00 178.44 179.24 2jwl h SER 54 N 0.05 0.65 -0.40 -0.43 0.02 -0.56 -0.91 113.55 111.98 2jwl h SER 54 Ca 0.05 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2jwl h SER 54 Cb 0.30 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2jwl h SER 54 CO 0.00 0.44 -0.03 0.03 -1.14 0.00 0.00 176.83 176.13 2jwl h ARG 55 N 0.79 0.74 -0.69 3.45 2.47 -0.79 -1.73 114.38 118.61 2jwl h ARG 55 Ca 0.28 -0.25 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 2jwl h ARG 55 Cb 0.07 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 2jwl h ARG 55 CO -0.13 0.84 0.16 0.37 0.56 0.00 0.00 179.97 181.77 2jwl h GLN 56 N 0.56 1.10 -0.26 0.04 4.15 -0.87 -1.04 115.11 118.78 2jwl h GLN 56 Ca 0.11 -0.26 -0.16 0.00 0.77 0.00 0.00 58.65 59.11 2jwl h GLN 56 Cb 0.53 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2jwl h GLN 56 CO 0.03 0.97 -0.47 0.93 -1.93 0.00 0.00 178.83 178.36 2jwl h GLU 57 N 1.04 0.71 -0.04 1.69 3.07 -1.11 -2.76 114.58 117.18 2jwl h GLU 57 Ca 0.22 -0.41 -0.13 0.00 -0.50 0.00 0.00 59.36 58.54 2jwl h GLU 57 Cb 0.37 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2jwl h GLU 57 CO 0.00 1.02 -0.56 0.35 -1.40 0.00 0.00 179.01 178.42 2jwl h PHE 58 N 0.56 0.15 0.00 4.33 3.57 -1.10 -1.68 116.94 122.77 2jwl h PHE 58 Ca 0.03 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2jwl h PHE 58 Cb 1.03 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2jwl h PHE 58 CO 0.05 0.66 -0.48 0.22 -2.23 0.00 0.00 178.31 176.53 2jwl h ASP 59 N 0.09 0.00 0.50 0.41 3.58 -1.12 -3.20 116.42 116.69 2jwl h ASP 59 Ca -0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 2jwl h ASP 59 Cb 1.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2jwl h ASP 59 CO 0.08 0.48 -1.49 0.50 -2.88 0.00 0.00 179.24 175.93 2jwl h LYS 60 N 0.00 0.21 -4.15 0.28 3.64 -1.37 -3.44 116.57 111.74 2jwl h LYS 60 Ca -0.00 -0.36 -0.56 0.00 -1.27 0.00 0.00 60.65 58.46 2jwl h LYS 60 Cb 1.10 0.13 -0.38 0.00 -0.41 0.00 0.00 32.23 32.68 2jwl h LYS 60 CO 0.06 1.06 -0.79 -0.51 -2.27 0.00 0.00 179.45 177.01 2jwl s ASP 61 N -6.90 2.93 0.28 4.20 1.11 -0.64 -5.01 116.67 112.64 2jwl s ASP 61 Ca -0.08 -0.72 0.23 0.00 0.18 0.00 0.00 52.55 52.17 2jwl s ASP 61 Cb 0.07 -0.92 0.30 0.00 1.07 0.00 0.00 42.92 43.44 2jwl s ASP 61 CO 0.85 -0.19 1.41 0.78 1.18 0.00 0.00 175.17 179.20 2jwl h ASN 62 N 8.11 0.00 -0.58 0.27 4.21 -1.85 -3.31 115.58 122.43 2jwl h ASN 62 Ca -0.23 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.24 2jwl h ASN 62 Cb 1.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 2jwl h ASN 62 CO 0.40 0.02 0.00 -3.20 -1.29 0.00 0.00 177.43 173.36 2jwl n ASN 63 N -2.69 5.68 -4.65 5.81 5.15 -1.26 -4.96 115.26 118.34 2jwl n ASN 63 Ca 0.03 -2.91 -0.43 0.00 -0.60 0.00 0.00 54.58 50.67 2jwl n ASN 63 Cb 0.51 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 39.05 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 -2.72 3.76 -0.04 -0.44 -4.23 -1.24 -4.96 115.64 105.78 2jwl s THR 64 Ca 0.54 0.90 -0.30 0.00 -1.18 0.00 0.00 61.69 61.65 2jwl s THR 64 Cb 0.41 -3.67 -0.06 0.00 1.34 0.00 0.00 72.50 70.52 2jwl s THR 64 CO 0.16 -0.18 1.62 -0.22 -0.54 0.00 0.00 174.62 175.46 2jwl s LEU 65 N 4.46 4.32 -0.22 4.79 2.96 -1.26 -4.89 118.68 128.85 2jwl s LEU 65 Ca 0.69 2.24 -0.08 0.00 -0.22 0.00 0.00 54.13 56.77 2jwl s LEU 65 Cb -0.27 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 2jwl s LEU 65 CO 0.27 -0.90 0.07 -0.36 -1.32 0.00 0.00 176.35 174.11 2jwl s PHE 66 N 3.71 3.17 -0.01 5.38 0.08 -1.26 -1.46 117.98 127.58 2jwl s PHE 66 Ca 0.72 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 57.66 2jwl s PHE 66 Cb -0.34 -2.17 -0.00 0.00 -0.57 0.00 0.00 43.02 39.94 2jwl s PHE 66 CO 0.29 -0.10 -0.08 -0.48 -0.10 0.00 0.00 175.22 174.75 2jwl s LEU 67 N 1.03 1.98 -0.03 -0.37 0.05 -0.89 -5.02 118.68 115.42 2jwl s LEU 67 Ca 0.04 -0.15 0.05 0.00 0.05 0.00 0.00 54.13 54.12 2jwl s LEU 67 Cb -0.14 -0.42 -0.01 0.00 -2.05 0.00 0.00 46.19 43.57 2jwl s LEU 67 CO 0.03 0.09 -0.17 0.54 -0.55 0.00 0.00 176.35 176.29 2jwl s VAL 68 N -0.13 1.42 0.02 1.48 0.11 -1.26 -1.64 120.40 120.40 2jwl s VAL 68 Ca 0.02 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2jwl s VAL 68 Cb -0.04 -1.21 -0.02 0.00 -1.53 0.00 0.00 36.38 33.59 2jwl s VAL 68 CO -0.00 0.41 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.29 2jwl s GLY 69 N -0.09 0.35 0.18 6.54 0.00 -0.20 -4.98 107.32 109.12 2jwl s GLY 69 Ca -0.01 -0.52 0.11 0.00 0.00 0.00 0.00 44.72 44.30 2jwl s GLY 69 CO 0.01 -0.54 -0.23 -0.32 0.00 0.00 0.00 173.10 172.02 2jwl s GLY 70 N -1.01 1.62 0.71 0.20 0.00 -1.26 -0.59 107.32 106.99 2jwl s GLY 70 Ca -0.07 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 42.95 2jwl s GLY 70 CO -0.00 -1.62 1.09 0.00 0.00 0.00 0.00 173.10 172.57 2jwl s ALA 71 N -1.71 2.90 0.47 3.20 0.00 -0.95 -4.93 121.76 120.75 2jwl s ALA 71 Ca 0.19 -0.39 0.13 0.00 0.00 0.00 0.00 51.96 51.89 2jwl s ALA 71 Cb -0.08 -2.99 1.09 0.00 0.00 0.00 0.00 23.12 21.14 2jwl s ALA 71 CO 0.09 -1.16 2.09 0.87 0.00 0.00 0.00 175.76 177.65 2jwl h LYS 72 N -0.65 0.17 -0.00 0.00 6.56 -1.97 -1.95 116.57 118.73 2jwl h LYS 72 Ca -0.45 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 2jwl h LYS 72 Cb 1.26 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2jwl h LYS 72 CO 0.64 0.15 -0.11 0.39 -2.06 0.00 0.00 179.45 178.46 2jwl n GLU 73 N -4.48 0.78 -2.98 3.15 4.71 -1.26 -4.87 120.64 115.69 2jwl n GLU 73 Ca -0.01 -0.29 -0.40 0.00 -0.01 0.00 0.00 57.16 56.46 2jwl n GLU 73 Cb 0.11 -1.49 -0.05 0.00 -1.01 0.00 0.00 31.44 28.99 2jwl n GLU 73 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2jwl s VAL 74 N -2.42 4.62 0.29 2.62 1.01 -0.73 -5.02 120.40 120.77 2jwl s VAL 74 Ca 0.30 1.66 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 2jwl s VAL 74 Cb 0.20 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 2jwl s VAL 74 CO 0.46 0.41 1.15 -2.16 0.00 0.00 0.00 175.10 174.96 2jwl s PRO 75 N -0.37 4.57 0.31 2.72 0.04 -1.26 -4.89 135.00 136.13 2jwl s PRO 75 Ca 0.38 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 2jwl s PRO 75 Cb -0.21 -3.15 0.50 0.00 0.04 0.00 0.00 34.50 31.67 2jwl s PRO 75 CO 0.24 0.12 1.97 -0.92 0.04 0.00 0.00 177.00 178.45 2jwl h TYR 76 N 3.69 0.95 -0.49 0.56 3.20 -1.96 -1.75 116.97 121.17 2jwl h TYR 76 Ca -0.47 0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.52 2jwl h TYR 76 Cb 1.21 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 2jwl h TYR 76 CO 0.58 0.61 0.34 0.93 -1.64 0.00 0.00 178.16 178.98 2jwl h GLU 77 N 1.01 0.17 0.00 1.82 5.08 -2.00 0.38 114.58 121.04 2jwl h GLU 77 Ca 0.27 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 2jwl h GLU 77 Cb -0.08 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2jwl h GLU 77 CO -0.05 0.11 -0.86 1.49 -1.00 0.00 0.00 179.01 178.70 2jwl h GLU 78 N 0.18 0.08 -0.62 2.33 4.57 -1.71 -2.43 114.58 116.98 2jwl h GLU 78 Ca 0.23 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2jwl h GLU 78 Cb 0.67 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 2jwl h GLU 78 CO -0.04 0.88 0.09 0.28 -1.18 0.00 0.00 179.01 179.05 2jwl h VAL 79 N 0.04 1.26 -0.38 0.32 2.07 -0.84 -0.37 116.25 118.36 2jwl h VAL 79 Ca -0.02 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2jwl h VAL 79 Cb 1.49 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2jwl h VAL 79 CO 0.12 0.38 0.24 0.40 0.02 0.00 0.00 177.57 178.73 2jwl h ILE 80 N 0.93 1.11 -0.59 4.57 1.08 -1.23 -0.93 117.51 122.46 2jwl h ILE 80 Ca 0.19 -0.22 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 2jwl h ILE 80 Cb 0.44 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 2jwl h ILE 80 CO 0.01 0.11 0.31 0.11 -0.69 0.00 0.00 178.15 177.99 2jwl h LYS 81 N 0.51 0.56 -0.30 2.37 6.56 -1.05 0.14 116.57 125.36 2jwl h LYS 81 Ca 0.14 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.71 2jwl h LYS 81 Cb -0.04 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.48 2jwl h LYS 81 CO -0.03 0.37 0.16 0.00 -2.06 0.00 0.00 179.45 177.89 2jwl h ALA 82 N 1.32 0.37 -0.82 3.86 0.00 -0.51 -0.18 119.26 123.30 2jwl h ALA 82 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jwl h ALA 82 Cb 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2jwl h ALA 82 CO -0.18 -0.21 0.53 -0.07 0.00 0.00 0.00 179.25 179.32 2jwl h LEU 83 N 0.34 0.95 -0.69 0.00 3.38 -0.61 -1.81 115.31 116.87 2jwl h LEU 83 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jwl h LEU 83 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2jwl h LEU 83 CO -0.07 0.70 0.43 -1.13 0.09 0.00 0.00 178.44 178.47 2jwl h ASN 84 N 1.12 0.81 -0.66 -0.43 -0.73 0.26 -1.54 115.58 114.40 2jwl h ASN 84 Ca 0.30 -0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.35 2jwl h ASN 84 Cb -0.11 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.25 2jwl h ASN 84 CO -0.06 0.61 0.11 -0.07 -0.37 0.00 0.00 177.43 177.65 2jwl h LEU 85 N 0.93 1.05 -0.56 0.34 3.38 -0.25 -1.08 115.31 119.13 2jwl h LEU 85 Ca 0.25 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2jwl h LEU 85 Cb -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 2jwl h LEU 85 CO -0.05 1.04 0.16 -0.07 0.09 0.00 0.00 178.44 179.61 2jwl h LEU 86 N 1.03 0.84 -0.74 1.67 -0.00 -1.09 -2.41 115.31 114.61 2jwl h LEU 86 Ca 0.20 -0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 2jwl h LEU 86 Cb 0.43 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 2jwl h LEU 86 CO 0.01 0.84 0.30 -0.74 -0.00 0.00 0.00 178.44 178.85 2jwl h HIS 87 N 0.79 1.12 -0.88 1.13 2.76 -1.04 0.97 115.15 120.00 2jwl h HIS 87 Ca 0.18 -0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 2jwl h HIS 87 Cb 0.31 -0.34 -0.06 0.00 1.55 0.00 0.00 27.41 28.88 2jwl h HIS 87 CO 0.02 0.85 0.57 1.25 -1.30 0.00 0.00 177.93 179.32 2jwl h LEU 88 N 1.06 0.88 -1.46 0.26 6.46 -0.84 -0.82 115.31 120.86 2jwl h LEU 88 Ca 0.25 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2jwl h LEU 88 Cb 0.20 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2jwl h LEU 88 CO -0.02 0.57 0.00 0.00 -0.62 0.00 0.00 178.44 178.37 2jwl n ALA 89 N -2.40 2.44 -3.16 1.25 0.00 -0.94 -4.94 120.51 112.76 2jwl n ALA 89 Ca 0.13 -0.69 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 2jwl n ALA 89 Cb 0.19 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 1.14 -0.11 0.12 0.00 0.00 -0.31 -4.88 105.19 101.15 2jwl n GLY 90 Ca 0.14 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.82 1.59 -0.86 -0.61 -0.00 0.29 -5.01 119.36 110.95 2jwl n ILE 91 Ca -0.08 -0.68 0.00 0.00 -0.00 0.00 0.00 62.75 61.99 2jwl n ILE 91 Cb 0.57 -1.30 0.00 0.00 -0.00 0.00 0.00 39.64 38.91 2jwl n ILE 91 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72