#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2i s ILE 3 N 0.00 5.29 0.19 0.00 -1.09 -1.26 -0.57 121.20 123.77 1w2i s ILE 3 Ca 0.00 0.58 0.03 0.00 -2.23 0.00 0.00 60.65 59.03 1w2i s ILE 3 Cb 0.00 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 1w2i s ILE 3 CO 0.00 0.39 -0.01 0.68 -1.23 0.00 0.00 174.94 174.78 1w2i s VAL 4 N 0.41 0.84 -0.07 2.92 -7.23 -0.34 -4.88 120.40 112.05 1w2i s VAL 4 Ca 0.17 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.33 1w2i s VAL 4 Cb -0.13 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.65 1w2i s VAL 4 CO 0.05 -0.44 -0.00 -0.60 -0.31 0.00 0.00 175.10 173.80 1w2i s ARG 5 N -3.88 0.59 -0.13 4.82 3.52 -1.24 -1.62 118.95 121.00 1w2i s ARG 5 Ca 0.25 0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.94 1w2i s ARG 5 Cb 0.06 -0.93 -0.02 0.00 -1.56 0.00 0.00 34.95 32.50 1w2i s ARG 5 CO 0.05 -0.28 -0.12 0.00 -0.81 0.00 0.00 175.30 174.15 1w2i s ALA 6 N 1.85 2.68 -0.30 6.12 0.00 0.60 -0.70 121.76 132.02 1w2i s ALA 6 Ca 0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 1w2i s ALA 6 Cb -0.12 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1w2i s ALA 6 CO -0.05 0.26 0.06 -1.58 0.00 0.00 0.00 175.76 174.45 1w2i s HIS 7 N 0.29 3.17 0.00 0.00 2.46 0.35 -0.83 115.29 120.73 1w2i s HIS 7 Ca -0.09 -1.24 0.01 0.00 0.47 0.00 0.00 55.06 54.21 1w2i s HIS 7 Cb -0.15 -2.22 -0.04 0.00 -0.13 0.00 0.00 32.58 30.04 1w2i s HIS 7 CO 0.05 -0.65 0.02 -0.51 -2.47 0.00 0.00 174.74 171.18 1w2i s LEU 8 N 1.43 3.61 -0.09 8.88 1.02 0.87 -0.74 118.68 133.65 1w2i s LEU 8 Ca 0.01 0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.22 1w2i s LEU 8 Cb -0.18 -2.09 0.00 0.00 0.02 0.00 0.00 46.19 43.95 1w2i s LEU 8 CO 0.01 0.28 -0.22 -0.54 0.02 0.00 0.00 176.35 175.89 1w2i s LYS 9 N -1.62 2.85 -0.10 1.70 -0.14 -0.30 -1.38 119.74 120.75 1w2i s LYS 9 Ca 0.21 -0.81 0.04 0.00 -1.36 0.00 0.00 55.97 54.04 1w2i s LYS 9 Cb -0.12 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.87 1w2i s LYS 9 CO 0.11 0.16 -0.23 0.42 -0.76 0.00 0.00 175.35 175.06 1w2i s ILE 10 N 0.38 1.98 0.15 2.17 1.01 0.65 -1.04 121.20 126.50 1w2i s ILE 10 Ca -0.18 -0.97 0.10 0.00 0.00 0.00 0.00 60.65 59.60 1w2i s ILE 10 Cb -0.18 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1w2i s ILE 10 CO 0.08 0.54 -0.24 -0.31 0.00 0.00 0.00 174.94 175.01 1w2i s TYR 11 N 0.42 2.17 -4.00 3.97 1.51 -0.39 -1.17 117.35 119.86 1w2i s TYR 11 Ca -0.17 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1w2i s TYR 11 Cb -0.18 -1.14 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1w2i s TYR 11 CO 0.07 0.36 0.00 0.41 -1.11 0.00 0.00 175.55 175.29 1w2i n GLY 12 N 0.69 0.67 3.49 0.71 0.00 -1.26 -0.54 105.19 108.95 1w2i n GLY 12 Ca -0.16 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 1w2i n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w2i s ARG 13 N -1.60 3.63 0.00 1.61 3.00 0.01 -4.71 118.95 120.88 1w2i s ARG 13 Ca 0.00 -1.58 0.00 0.00 -1.00 0.00 0.00 55.73 53.15 1w2i s ARG 13 Cb 0.00 -5.09 0.00 0.00 0.00 0.00 0.00 34.95 29.86 1w2i s ARG 13 CO 0.00 -1.94 0.43 1.33 0.00 0.00 0.00 175.30 175.12 1w2i n VAL 14 N 5.97 0.18 -4.35 7.11 0.24 -1.26 -1.03 118.33 125.18 1w2i n VAL 14 Ca 0.28 -0.34 -0.29 0.00 -2.04 0.00 0.00 64.34 61.96 1w2i n VAL 14 Cb 0.49 1.24 -0.12 0.00 -1.47 0.00 0.00 33.84 33.98 1w2i n VAL 14 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1w2i s GLN 15 N -0.18 1.61 -0.36 7.34 -0.21 -1.26 -4.57 119.66 122.02 1w2i s GLN 15 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 55.36 54.10 1w2i s GLN 15 Cb 0.00 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 32.00 1w2i s GLN 15 CO 0.00 0.46 0.00 0.41 -2.12 0.00 0.00 175.29 174.04 1w2i n GLY 16 N 0.79 0.63 0.00 3.09 0.00 -1.26 -4.89 105.19 103.54 1w2i n GLY 16 Ca -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1w2i n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1w2i n VAL 17 N -2.76 0.93 -1.44 1.61 0.24 -1.26 -4.99 118.33 110.66 1w2i n VAL 17 Ca -0.03 -0.96 -0.02 0.00 -2.04 0.00 0.00 64.34 61.28 1w2i n VAL 17 Cb 0.18 0.54 -0.01 0.00 -1.47 0.00 0.00 33.84 33.08 1w2i n VAL 17 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1w2i n GLY 18 N -0.47 0.44 0.33 7.63 0.00 -1.26 -4.68 105.19 107.19 1w2i n GLY 18 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 46.02 45.04 1w2i n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1w2i h PHE 19 N 0.00 1.19 -0.06 1.61 3.04 -1.94 -1.18 116.94 119.60 1w2i h PHE 19 Ca -0.05 -0.12 -0.04 0.00 3.98 0.00 0.00 57.97 61.74 1w2i h PHE 19 Cb 0.49 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1w2i h PHE 19 CO 0.06 0.94 -0.12 0.00 -2.02 0.00 0.00 178.31 177.17 1w2i h ARG 20 N 1.10 0.19 -0.56 1.11 3.08 -1.93 -0.50 114.38 116.87 1w2i h ARG 20 Ca 0.24 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1w2i h ARG 20 Cb 0.31 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1w2i h ARG 20 CO -0.01 0.70 0.28 -1.49 -1.07 0.00 0.00 179.97 178.38 1w2i h TRP 21 N -0.31 0.79 -0.34 3.04 4.06 -1.98 -1.77 115.95 119.44 1w2i h TRP 21 Ca 0.00 -0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.79 1w2i h TRP 21 Cb 0.70 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 1w2i h TRP 21 CO 0.12 0.61 -0.32 0.66 -3.56 0.00 0.00 178.44 175.94 1w2i h SER 22 N 0.75 0.78 -0.74 -3.49 4.64 -1.23 -1.47 113.55 112.79 1w2i h SER 22 Ca 0.19 -0.32 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1w2i h SER 22 Cb 0.10 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1w2i h SER 22 CO -0.03 1.04 0.30 -0.03 -0.87 0.00 0.00 176.83 177.24 1w2i h MET 23 N 0.63 1.10 -0.64 4.77 1.85 -0.94 -0.42 114.93 121.27 1w2i h MET 23 Ca 0.07 -0.20 -0.02 0.00 -0.61 0.00 0.00 59.70 58.94 1w2i h MET 23 Cb 0.85 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.67 1w2i h MET 23 CO 0.07 0.90 0.31 0.37 -0.40 0.00 0.00 176.91 178.16 1w2i h GLN 24 N 1.06 0.92 -0.48 0.39 4.15 -1.09 0.10 115.11 120.16 1w2i h GLN 24 Ca 0.25 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1w2i h GLN 24 Cb 0.20 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1w2i h GLN 24 CO -0.02 0.73 0.26 0.00 -1.93 0.00 0.00 178.83 177.87 1w2i h ARG 25 N 0.89 0.68 -0.51 1.69 3.08 -0.84 -1.03 114.38 118.33 1w2i h ARG 25 Ca 0.22 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 1w2i h ARG 25 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1w2i h ARG 25 CO -0.03 0.54 -0.15 1.49 -1.07 0.00 0.00 179.97 180.75 1w2i h GLU 26 N 0.64 0.99 -0.58 0.04 4.57 -0.80 -1.50 114.58 117.94 1w2i h GLU 26 Ca 0.17 -0.38 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1w2i h GLU 26 Cb 0.07 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1w2i h GLU 26 CO -0.03 1.06 0.36 0.00 -1.18 0.00 0.00 179.01 179.22 1w2i h ALA 27 N 0.95 0.74 -0.66 2.92 0.00 -0.62 -1.15 119.26 121.43 1w2i h ALA 27 Ca 0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1w2i h ALA 27 Cb 0.71 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1w2i h ALA 27 CO 0.05 0.21 0.11 0.00 0.00 0.00 0.00 179.25 179.63 1w2i h ARG 28 N 0.78 1.09 -0.87 0.00 3.08 -0.97 0.95 114.38 118.44 1w2i h ARG 28 Ca 0.21 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1w2i h ARG 28 Cb -0.03 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 1w2i h ARG 28 CO -0.04 0.99 0.56 -0.22 -1.07 0.00 0.00 179.97 180.20 1w2i h LYS 29 N 1.02 1.07 -0.00 0.04 3.64 -0.99 -3.03 116.57 118.32 1w2i h LYS 29 Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1w2i h LYS 29 Cb 0.43 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1w2i h LYS 29 CO 0.01 0.71 -0.40 1.28 -2.27 0.00 0.00 179.45 178.79 1w2i n LEU 30 N -4.53 0.50 -0.92 5.20 4.77 -0.46 -4.95 117.00 116.61 1w2i n LEU 30 Ca 0.10 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1w2i n LEU 30 Cb 0.07 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1w2i n LEU 30 CO 0.34 0.12 -0.02 0.61 -1.33 0.00 0.00 177.39 177.11 1w2i n GLY 31 N 1.47 0.28 3.80 -0.72 0.00 0.17 -4.89 105.19 105.30 1w2i n GLY 31 Ca 0.07 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1w2i n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w2i s VAL 32 N -2.58 5.32 0.27 1.61 1.01 -0.26 -4.81 120.40 120.96 1w2i s VAL 32 Ca 0.06 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1w2i s VAL 32 Cb -0.03 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1w2i s VAL 32 CO 0.07 0.55 0.24 0.20 0.00 0.00 0.00 175.10 176.16 1w2i s ASN 33 N -0.51 5.52 0.00 3.32 0.01 -0.37 -4.46 114.94 118.46 1w2i s ASN 33 Ca 0.12 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1w2i s ASN 33 Cb -0.12 -1.32 0.00 0.00 0.41 0.00 0.00 41.25 40.23 1w2i s ASN 33 CO 0.02 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.09 1w2i n GLY 34 N -1.25 0.53 3.67 0.66 0.00 0.14 -0.33 105.19 108.61 1w2i n GLY 34 Ca -0.06 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 1w2i n GLY 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1w2i s TRP 35 N -3.59 -0.31 -0.00 1.61 1.48 -0.49 -1.32 118.94 116.31 1w2i s TRP 35 Ca 0.00 -0.05 -0.04 0.00 -1.06 0.00 0.00 56.10 54.96 1w2i s TRP 35 Cb 0.00 0.63 -0.00 0.00 -1.16 0.00 0.00 33.47 32.94 1w2i s TRP 35 CO 0.00 -1.07 0.07 0.54 -4.06 0.00 0.00 176.95 172.43 1w2i s VAL 36 N -3.85 0.07 0.08 -0.66 0.11 -0.41 -0.78 120.40 114.95 1w2i s VAL 36 Ca 0.07 -0.55 -0.19 0.00 -2.93 0.00 0.00 61.98 58.38 1w2i s VAL 36 Cb -0.04 -0.29 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 1w2i s VAL 36 CO -0.01 -0.30 0.46 0.00 -3.33 0.00 0.00 175.10 171.92 1w2i s ARG 37 N -0.98 1.04 0.20 1.54 1.70 0.02 -1.20 118.95 121.28 1w2i s ARG 37 Ca -0.11 -0.45 -0.24 0.00 -0.47 0.00 0.00 55.73 54.47 1w2i s ARG 37 Cb -0.06 0.46 -0.08 0.00 -0.57 0.00 0.00 34.95 34.70 1w2i s ARG 37 CO 0.00 -0.39 0.78 -0.80 -1.08 0.00 0.00 175.30 173.82 1w2i s ASN 38 N -2.32 7.28 0.11 -2.89 0.02 -1.22 -1.15 114.94 114.78 1w2i s ASN 38 Ca -0.02 1.60 0.05 0.00 -1.02 0.00 0.00 52.86 53.47 1w2i s ASN 38 Cb 0.00 -2.49 -0.04 0.00 0.02 0.00 0.00 41.25 38.75 1w2i s ASN 38 CO -0.06 0.12 0.02 -0.76 0.02 0.00 0.00 177.10 176.44 1w2i s LEU 39 N -1.51 3.50 0.29 0.60 1.43 -0.24 -4.91 118.68 117.83 1w2i s LEU 39 Ca 0.40 -0.20 0.23 0.00 -1.03 0.00 0.00 54.13 53.53 1w2i s LEU 39 Cb -0.21 -2.20 1.07 0.00 0.03 0.00 0.00 46.19 44.89 1w2i s LEU 39 CO 0.24 0.15 1.70 -0.81 0.23 0.00 0.00 176.35 177.86 1w2i n PRO 40 N 0.33 0.18 -0.01 1.29 -0.04 -1.26 -1.54 135.00 133.94 1w2i n PRO 40 Ca -0.10 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 1w2i n PRO 40 Cb 0.53 -1.92 0.54 0.00 -0.04 0.00 0.00 33.50 32.60 1w2i n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1w2i n ASP 41 N -2.26 0.27 0.00 3.54 5.75 -1.26 -4.89 116.55 117.70 1w2i n ASP 41 Ca 0.01 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 1w2i n ASP 41 Cb 0.15 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1w2i n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1w2i n GLY 42 N 0.85 0.70 3.97 6.12 0.00 -0.59 -5.06 105.19 111.17 1w2i n GLY 42 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1w2i n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w2i s SER 43 N -2.98 5.18 -0.09 1.61 1.04 -1.25 -4.51 113.70 112.69 1w2i s SER 43 Ca 0.00 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.51 1w2i s SER 43 Cb 0.00 -0.89 -0.02 0.00 0.10 0.00 0.00 66.02 65.21 1w2i s SER 43 CO 0.00 -1.24 -0.16 -0.69 0.98 0.00 0.00 173.24 172.13 1w2i s VAL 44 N -2.85 2.81 -0.03 5.02 1.01 -0.32 -1.08 120.40 124.95 1w2i s VAL 44 Ca 0.58 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1w2i s VAL 44 Cb -0.10 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1w2i s VAL 44 CO 0.40 0.56 -0.13 -0.70 0.00 0.00 0.00 175.10 175.23 1w2i s GLU 45 N -0.10 2.48 0.03 2.72 2.12 -0.30 -0.25 118.70 125.40 1w2i s GLU 45 Ca -0.03 -0.72 -0.15 0.00 0.36 0.00 0.00 54.97 54.43 1w2i s GLU 45 Cb -0.14 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 31.87 1w2i s GLU 45 CO 0.04 0.61 0.32 0.00 -0.54 0.00 0.00 175.26 175.69 1w2i s ALA 46 N -0.82 -0.74 -0.12 6.30 0.00 -0.48 -0.80 121.76 125.11 1w2i s ALA 46 Ca 0.13 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1w2i s ALA 46 Cb -0.11 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1w2i s ALA 46 CO 0.03 -0.37 -0.23 0.08 0.00 0.00 0.00 175.76 175.26 1w2i s VAL 47 N -2.19 2.08 -0.14 0.00 1.01 0.04 -0.09 120.40 121.12 1w2i s VAL 47 Ca -0.07 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1w2i s VAL 47 Cb -0.02 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1w2i s VAL 47 CO -0.01 0.55 -0.15 -0.76 0.00 0.00 0.00 175.10 174.74 1w2i s LEU 48 N 0.54 1.71 -0.02 3.92 1.43 -0.01 -1.40 118.68 124.85 1w2i s LEU 48 Ca -0.14 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1w2i s LEU 48 Cb -0.17 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1w2i s LEU 48 CO 0.04 -0.03 -0.02 -0.70 0.23 0.00 0.00 176.35 175.87 1w2i s GLU 49 N 1.34 0.40 0.00 1.70 2.12 0.55 -0.29 118.70 124.52 1w2i s GLU 49 Ca 0.02 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1w2i s GLU 49 Cb -0.13 -0.50 0.00 0.00 0.26 0.00 0.00 34.13 33.76 1w2i s GLU 49 CO -0.08 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 1w2i n GLY 50 N 3.81 -0.52 3.71 -1.50 0.00 -0.64 -1.24 105.19 108.81 1w2i n GLY 50 Ca -0.23 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1w2i n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1w2i n ASP 51 N 1.01 2.97 -0.34 1.61 -0.08 -1.26 -1.20 116.55 119.26 1w2i n ASP 51 Ca 0.00 1.20 0.02 0.00 -1.51 0.00 0.00 54.79 54.50 1w2i n ASP 51 Cb 0.00 -1.50 0.17 0.00 2.34 0.00 0.00 41.12 42.13 1w2i n ASP 51 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1w2i h GLU 52 N 3.01 1.01 -0.66 -0.67 4.81 -1.18 -0.75 114.58 120.14 1w2i h GLU 52 Ca -0.47 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.65 1w2i h GLU 52 Cb 1.27 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1w2i h GLU 52 CO 0.66 0.67 0.19 1.49 -0.73 0.00 0.00 179.01 181.29 1w2i h GLU 53 N 1.04 1.03 -0.18 1.92 4.81 -1.90 -0.11 114.58 121.19 1w2i h GLU 53 Ca 0.41 -0.22 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 1w2i h GLU 53 Cb 0.21 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1w2i h GLU 53 CO -0.19 0.89 -0.43 0.00 -0.73 0.00 0.00 179.01 178.55 1w2i h ARG 54 N 0.99 0.61 -0.28 1.92 3.08 -1.69 -1.63 114.38 117.37 1w2i h ARG 54 Ca 0.21 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 1w2i h ARG 54 Cb 0.31 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1w2i h ARG 54 CO -0.00 1.03 0.17 0.28 -1.07 0.00 0.00 179.97 180.38 1w2i h VAL 55 N 0.28 1.10 -0.95 2.04 2.07 -1.03 -1.96 116.25 117.80 1w2i h VAL 55 Ca -0.00 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1w2i h VAL 55 Cb 1.04 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1w2i h VAL 55 CO 0.09 0.10 0.61 -0.33 0.02 0.00 0.00 177.57 178.06 1w2i h GLU 56 N 0.37 1.26 -0.73 1.57 5.08 -1.00 0.33 114.58 121.45 1w2i h GLU 56 Ca 0.10 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1w2i h GLU 56 Cb 0.00 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 28.93 1w2i h GLU 56 CO -0.02 0.84 0.45 0.00 -1.00 0.00 0.00 179.01 179.28 1w2i h ALA 57 N 1.39 0.96 -0.16 3.43 0.00 -0.95 -1.07 119.26 122.86 1w2i h ALA 57 Ca 0.34 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 1w2i h ALA 57 Cb -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1w2i h ALA 57 CO -0.07 0.21 -0.70 1.25 0.00 0.00 0.00 179.25 179.94 1w2i h LEU 58 N 0.86 0.80 -0.46 0.00 5.85 -0.64 -1.04 115.31 120.69 1w2i h LEU 58 Ca 0.30 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1w2i h LEU 58 Cb 0.06 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1w2i h LEU 58 CO -0.13 1.27 0.19 0.40 -0.34 0.00 0.00 178.44 179.83 1w2i h ILE 59 N 0.49 0.90 -0.49 4.05 2.04 -0.69 -1.04 117.51 122.77 1w2i h ILE 59 Ca -0.03 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1w2i h ILE 59 Cb 1.30 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1w2i h ILE 59 CO 0.14 0.07 0.23 1.23 0.00 0.00 0.00 178.15 179.82 1w2i h GLY 60 N 0.39 0.76 0.55 5.37 0.00 -1.06 -2.33 103.07 106.75 1w2i h GLY 60 Ca 0.21 -0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.27 1w2i h GLY 60 CO -0.19 0.36 0.62 -0.25 0.00 0.00 0.00 176.54 177.09 1w2i h TRP 61 N 0.64 1.09 0.00 5.60 7.01 -0.84 -1.72 115.95 127.73 1w2i h TRP 61 Ca 0.17 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.20 1w2i h TRP 61 Cb 0.13 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 1w2i h TRP 61 CO -0.01 0.46 0.00 0.00 -2.79 0.00 0.00 178.44 176.10 1w2i n ALA 62 N -2.37 1.57 0.40 2.65 0.00 -0.43 -0.62 120.51 121.72 1w2i n ALA 62 Ca 0.18 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1w2i n ALA 62 Cb 0.34 -1.29 0.32 0.00 0.00 0.00 0.00 19.45 18.81 1w2i n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1w2i h HIS 63 N 0.00 0.00 0.00 0.00 3.86 -1.24 -3.35 115.15 114.42 1w2i h HIS 63 Ca 0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 1w2i h HIS 63 Cb 0.26 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 1w2i h HIS 63 CO 0.00 0.00 -2.07 0.94 0.86 0.00 0.00 177.93 177.66 1w2i n GLN 64 N -2.72 0.57 -0.13 2.45 -0.06 -0.18 -4.50 117.38 112.82 1w2i n GLN 64 Ca 0.04 0.30 0.02 0.00 -2.00 0.00 0.00 57.00 55.36 1w2i n GLN 64 Cb 0.46 -1.52 -0.00 0.00 -4.06 0.00 0.00 30.24 25.11 1w2i n GLN 64 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1w2i n GLY 65 N 1.32 -1.68 3.68 1.69 0.00 0.21 -4.59 105.19 105.82 1w2i n GLY 65 Ca -0.44 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 1w2i n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w2i s PRO 66 N -0.31 0.94 0.32 1.61 0.04 -1.26 -4.87 135.00 131.47 1w2i s PRO 66 Ca 0.00 0.95 0.10 0.00 0.04 0.00 0.00 61.00 62.09 1w2i s PRO 66 Cb 0.00 -1.76 0.88 0.00 0.04 0.00 0.00 34.50 33.66 1w2i s PRO 66 CO 0.00 -2.50 1.74 -1.35 0.04 0.00 0.00 177.00 174.93 1w2i h PRO 67 N -1.74 0.58 -0.01 0.56 0.11 -1.88 -1.44 132.00 128.18 1w2i h PRO 67 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1w2i h PRO 67 Cb 1.29 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1w2i h PRO 67 CO 0.52 0.38 -0.18 1.28 -0.21 0.00 0.00 178.00 179.79 1w2i n LEU 68 N -4.84 0.95 -4.77 2.35 7.99 -1.26 -4.86 117.00 112.55 1w2i n LEU 68 Ca 0.26 -0.23 -0.36 0.00 -0.01 0.00 0.00 56.01 55.67 1w2i n LEU 68 Cb 0.73 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 1w2i n LEU 68 CO 0.18 0.17 0.81 0.00 -1.51 0.00 0.00 177.39 177.04 1w2i s ALA 69 N -2.41 2.77 -0.41 -1.18 0.00 -0.54 -4.96 121.76 115.03 1w2i s ALA 69 Ca 0.28 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.14 1w2i s ALA 69 Cb 0.20 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 20.07 1w2i s ALA 69 CO 0.48 -0.79 0.22 1.03 0.00 0.00 0.00 175.76 176.70 1w2i s ARG 70 N -3.09 1.07 0.12 0.00 0.52 -0.20 -4.91 118.95 112.46 1w2i s ARG 70 Ca 0.70 -1.76 -0.29 0.00 -0.52 0.00 0.00 55.73 53.86 1w2i s ARG 70 Cb -0.26 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.07 1w2i s ARG 70 CO 0.31 -1.15 0.93 0.08 0.02 0.00 0.00 175.30 175.48 1w2i s VAL 71 N 0.64 4.47 -0.07 3.52 1.01 -1.26 -0.81 120.40 127.89 1w2i s VAL 71 Ca 0.17 2.01 0.09 0.00 0.00 0.00 0.00 61.98 64.25 1w2i s VAL 71 Cb -0.24 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 31.72 1w2i s VAL 71 CO -0.02 0.35 0.08 0.35 0.00 0.00 0.00 175.10 175.87 1w2i n THR 72 N 2.59 0.49 -3.50 3.92 -2.24 0.30 -4.96 114.28 110.88 1w2i n THR 72 Ca 0.01 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 1w2i n THR 72 Cb 0.49 -0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 1w2i n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1w2i s ARG 73 N -2.36 1.00 -0.01 -0.78 1.70 -1.18 -5.03 118.95 112.29 1w2i s ARG 73 Ca -0.05 -0.06 0.02 0.00 -0.47 0.00 0.00 55.73 55.18 1w2i s ARG 73 Cb 0.04 0.47 -0.00 0.00 -0.57 0.00 0.00 34.95 34.88 1w2i s ARG 73 CO 0.41 -0.37 -0.08 0.08 -1.08 0.00 0.00 175.30 174.25 1w2i s VAL 74 N -2.21 0.64 -0.11 4.99 1.01 -1.26 -1.26 120.40 122.20 1w2i s VAL 74 Ca -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1w2i s VAL 74 Cb -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1w2i s VAL 74 CO -0.01 0.19 -0.22 -1.61 0.00 0.00 0.00 175.10 173.45 1w2i s GLU 75 N -0.08 2.92 -0.09 2.72 2.02 -0.21 -4.99 118.70 120.98 1w2i s GLU 75 Ca 0.02 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.21 1w2i s GLU 75 Cb -0.04 -2.26 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 1w2i s GLU 75 CO -0.00 0.11 -0.22 0.08 0.02 0.00 0.00 175.26 175.25 1w2i s VAL 76 N 0.51 2.31 -0.15 2.63 1.01 -1.26 -1.15 120.40 124.29 1w2i s VAL 76 Ca -0.15 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1w2i s VAL 76 Cb -0.17 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1w2i s VAL 76 CO 0.05 0.56 -0.13 -0.75 0.00 0.00 0.00 175.10 174.83 1w2i s LYS 77 N 0.16 3.30 0.07 2.72 2.20 0.08 -4.95 119.74 123.31 1w2i s LYS 77 Ca -0.12 -0.71 -0.22 0.00 -0.36 0.00 0.00 55.97 54.56 1w2i s LYS 77 Cb -0.16 -2.66 -0.06 0.00 -1.51 0.00 0.00 37.83 33.43 1w2i s LYS 77 CO 0.07 0.07 0.65 -1.58 -0.36 0.00 0.00 175.35 174.20 1w2i s TRP 78 N 0.69 3.79 0.20 4.03 0.52 -1.26 -0.50 118.94 126.41 1w2i s TRP 78 Ca -0.07 1.36 0.01 0.00 0.02 0.00 0.00 56.10 57.42 1w2i s TRP 78 Cb -0.15 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.49 1w2i s TRP 78 CO 0.02 0.47 0.05 -1.21 0.02 0.00 0.00 176.95 176.29 1w2i s GLU 79 N -0.73 1.21 0.01 4.98 2.02 0.12 -4.96 118.70 121.35 1w2i s GLU 79 Ca 0.32 -1.61 -0.30 0.00 0.02 0.00 0.00 54.97 53.40 1w2i s GLU 79 Cb -0.20 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 33.80 1w2i s GLU 79 CO 0.21 -0.21 1.09 -1.14 0.02 0.00 0.00 175.26 175.22 1w2i s GLN 80 N -3.98 4.48 0.26 1.61 0.74 -1.26 -3.72 119.66 117.79 1w2i s GLN 80 Ca 0.30 1.58 -0.30 0.00 0.05 0.00 0.00 55.36 56.98 1w2i s GLN 80 Cb 0.07 -3.43 -0.13 0.00 1.10 0.00 0.00 33.01 30.62 1w2i s GLN 80 CO 0.08 -0.18 1.35 -2.30 -0.55 0.00 0.00 175.29 173.68 1w2i n PRO 81 N 4.09 1.97 -0.05 1.67 -0.02 -1.26 -4.92 135.00 136.49 1w2i n PRO 81 Ca 0.08 0.70 0.04 0.00 -2.02 0.00 0.00 63.50 62.30 1w2i n PRO 81 Cb 0.49 -2.31 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1w2i n PRO 81 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1w2i n LYS 82 N 1.62 1.26 -2.52 -0.52 4.76 -1.26 -5.01 118.16 116.48 1w2i n LYS 82 Ca 0.10 -1.37 -0.01 0.00 -2.87 0.00 0.00 58.31 54.16 1w2i n LYS 82 Cb 0.32 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1w2i n LYS 82 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1w2i n GLY 83 N 0.40 0.84 3.73 0.72 0.00 -1.26 -5.01 105.19 104.61 1w2i n GLY 83 Ca 0.07 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1w2i n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w2i n GLU 84 N -0.77 2.21 -4.22 1.61 -0.58 -1.26 -5.01 120.64 112.62 1w2i n GLU 84 Ca -0.00 0.78 -0.27 0.00 -0.42 0.00 0.00 57.16 57.25 1w2i n GLU 84 Cb 0.50 -2.51 -0.17 0.00 -0.57 0.00 0.00 31.44 28.70 1w2i n GLU 84 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1w2i s LYS 85 N -2.22 1.78 0.16 3.49 2.20 -1.26 -4.73 119.74 119.16 1w2i s LYS 85 Ca 0.59 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1w2i s LYS 85 Cb -0.49 -1.63 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 1w2i s LYS 85 CO 0.60 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 1w2i n GLY 86 N 4.44 -2.03 3.05 5.54 0.00 -1.26 -4.76 105.19 110.17 1w2i n GLY 86 Ca -0.17 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1w2i n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1w2i s PHE 87 N -2.21 2.72 0.08 1.61 2.19 -1.26 -0.68 117.98 120.43 1w2i s PHE 87 Ca 0.00 -1.78 0.08 0.00 0.33 0.00 0.00 56.93 55.56 1w2i s PHE 87 Cb 0.00 -1.78 -0.04 0.00 -1.31 0.00 0.00 43.02 39.89 1w2i s PHE 87 CO 0.00 -0.79 -0.16 1.03 1.83 0.00 0.00 175.22 177.13 1w2i s ARG 88 N 1.30 1.99 -0.26 10.12 0.52 -0.44 -4.95 118.95 127.23 1w2i s ARG 88 Ca -0.01 -1.06 -0.17 0.00 -0.52 0.00 0.00 55.73 53.97 1w2i s ARG 88 Cb -0.16 -2.19 -0.03 0.00 0.52 0.00 0.00 34.95 33.08 1w2i s ARG 88 CO -0.09 0.51 0.46 0.42 0.02 0.00 0.00 175.30 176.63 1w2i s ILE 89 N -1.06 5.11 0.00 1.52 1.01 -1.26 -1.29 121.20 125.23 1w2i s ILE 89 Ca 0.17 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.58 1w2i s ILE 89 Cb -0.11 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1w2i s ILE 89 CO 0.09 0.12 0.75 1.33 0.00 0.00 0.00 174.94 177.23 1w2i n VAL 90 N 5.11 0.51 0.00 2.92 0.24 -0.34 -4.96 118.33 121.81 1w2i n VAL 90 Ca -0.06 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1w2i n VAL 90 Cb 0.50 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1w2i n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30