#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 4.72 0.21 0.00 -1.09 -1.26 -1.11 121.20 122.67 1w2i s ILE 3 Ca 0.00 2.00 0.04 0.00 -2.23 0.00 0.00 60.65 60.46 1w2i s ILE 3 Cb 0.00 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 1w2i s ILE 3 CO 0.00 0.24 -0.02 0.68 -1.23 0.00 0.00 174.94 174.61 1w2i s VAL 4 N 0.52 1.03 -0.09 2.92 -7.23 -0.39 -4.87 120.40 112.29 1w2i s VAL 4 Ca 0.48 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1w2i s VAL 4 Cb -0.22 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.55 1w2i s VAL 4 CO 0.28 -0.43 0.02 -0.60 -0.31 0.00 0.00 175.10 174.06 1w2i s ARG 5 N -3.84 0.48 -0.14 4.82 3.52 -1.25 -1.90 118.95 120.63 1w2i s ARG 5 Ca 0.25 0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 55.88 1w2i s ARG 5 Cb 0.05 -1.15 -0.02 0.00 -1.56 0.00 0.00 34.95 32.27 1w2i s ARG 5 CO 0.06 -0.39 -0.07 0.00 -0.81 0.00 0.00 175.30 174.10 1w2i s ALA 6 N 2.00 2.87 -0.27 6.12 0.00 0.26 -0.67 121.76 132.07 1w2i s ALA 6 Ca 0.04 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1w2i s ALA 6 Cb -0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1w2i s ALA 6 CO -0.06 0.24 0.06 -1.58 0.00 0.00 0.00 175.76 174.42 1w2i s HIS 7 N 0.31 3.09 0.04 0.00 2.46 0.01 -0.86 115.29 120.35 1w2i s HIS 7 Ca -0.06 -0.77 0.06 0.00 0.47 0.00 0.00 55.06 54.76 1w2i s HIS 7 Cb -0.15 -2.22 -0.03 0.00 -0.13 0.00 0.00 32.58 30.05 1w2i s HIS 7 CO 0.04 -0.49 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.18 1w2i s LEU 8 N 1.54 2.89 -0.13 8.88 1.43 0.55 -1.13 118.68 132.72 1w2i s LEU 8 Ca 0.05 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1w2i s LEU 8 Cb -0.16 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1w2i s LEU 8 CO 0.02 0.25 -0.19 -0.54 0.23 0.00 0.00 176.35 176.12 1w2i s LYS 9 N -1.61 2.61 -0.13 1.70 -0.14 -0.47 -1.57 119.74 120.13 1w2i s LYS 9 Ca 0.17 -0.70 0.03 0.00 -1.36 0.00 0.00 55.97 54.10 1w2i s LYS 9 Cb -0.11 -2.16 0.01 0.00 -1.68 0.00 0.00 37.83 33.89 1w2i s LYS 9 CO 0.08 -0.04 -0.22 0.42 -0.76 0.00 0.00 175.35 174.83 1w2i s ILE 10 N 0.92 1.98 0.20 2.17 1.01 0.50 -0.65 121.20 127.33 1w2i s ILE 10 Ca -0.06 -0.94 0.11 0.00 0.00 0.00 0.00 60.65 59.75 1w2i s ILE 10 Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1w2i s ILE 10 CO -0.02 0.54 -0.22 -0.31 0.00 0.00 0.00 174.94 174.93 1w2i s TYR 11 N 0.73 2.18 -2.46 3.97 1.51 -0.51 -1.14 117.35 121.63 1w2i s TYR 11 Ca -0.10 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.58 1w2i s TYR 11 Cb -0.16 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1w2i s TYR 11 CO 0.01 0.49 0.00 0.41 -1.11 0.00 0.00 175.55 175.35 1w2i n GLY 12 N 0.12 0.50 3.50 0.71 0.00 -1.26 -0.57 105.19 108.19 1w2i n GLY 12 Ca -0.11 -1.77 -0.42 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 -1.12 3.54 0.00 1.61 3.52 0.38 -4.69 118.95 122.19 1w2i s ARG 13 Ca 0.00 -1.34 0.00 0.00 -0.13 0.00 0.00 55.73 54.26 1w2i s ARG 13 Cb 0.00 -5.03 0.00 0.00 -1.56 0.00 0.00 34.95 28.36 1w2i s ARG 13 CO 0.00 -1.99 0.27 1.33 -0.81 0.00 0.00 175.30 174.10 1w2i n VAL 14 N 6.18 0.03 -4.34 7.11 0.24 -1.26 -1.40 118.33 124.88 1w2i n VAL 14 Ca 0.25 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 1w2i n VAL 14 Cb 0.50 1.48 -0.11 0.00 -1.47 0.00 0.00 33.84 34.23 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 -0.03 1.71 -0.95 7.34 -0.21 -1.26 -4.59 119.66 121.67 1w2i s GLN 15 Ca 0.00 -1.31 0.00 0.00 0.02 0.00 0.00 55.36 54.07 1w2i s GLN 15 Cb 0.00 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.98 1w2i s GLN 15 CO 0.00 0.45 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 1w2i n GLY 16 N 0.54 1.06 0.08 3.09 0.00 -1.26 -4.89 105.19 103.81 1w2i n GLY 16 Ca -0.14 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.70 0.85 -1.41 1.61 0.24 -1.26 -4.99 118.33 110.67 1w2i n VAL 17 Ca -0.09 -0.94 -0.06 0.00 -2.04 0.00 0.00 64.34 61.21 1w2i n VAL 17 Cb 0.31 0.44 -0.02 0.00 -1.47 0.00 0.00 33.84 33.11 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 -0.54 0.66 0.26 7.63 0.00 -1.26 -4.70 105.19 107.24 1w2i n GLY 18 Ca 0.04 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 0.92 -0.21 1.61 3.04 -1.94 -0.46 116.94 119.89 1w2i h PHE 19 Ca -0.13 -0.13 -0.09 0.00 3.98 0.00 0.00 57.97 61.60 1w2i h PHE 19 Cb 0.57 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 1w2i h PHE 19 CO 0.17 0.83 -0.20 0.00 -2.02 0.00 0.00 178.31 177.09 1w2i h ARG 20 N 0.74 0.51 -0.60 1.11 3.08 -1.92 0.55 114.38 117.86 1w2i h ARG 20 Ca 0.16 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1w2i h ARG 20 Cb 0.41 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1w2i h ARG 20 CO 0.01 0.84 0.34 -1.49 -1.07 0.00 0.00 179.97 178.61 1w2i h TRP 21 N 0.20 0.81 -0.35 3.04 6.55 -1.96 -1.20 115.95 123.04 1w2i h TRP 21 Ca 0.04 -0.01 -0.16 0.00 0.95 0.00 0.00 58.89 59.70 1w2i h TRP 21 Cb 0.74 -0.26 -0.00 0.00 -0.86 0.00 0.00 29.16 28.78 1w2i h TRP 21 CO 0.08 0.57 -0.43 0.66 -1.05 0.00 0.00 178.44 178.27 1w2i h SER 22 N 0.81 0.96 -0.75 -3.49 4.64 -1.03 -1.33 113.55 113.37 1w2i h SER 22 Ca 0.21 -0.46 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1w2i h SER 22 Cb 0.02 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.80 1w2i h SER 22 CO -0.04 1.25 0.41 -0.03 -0.87 0.00 0.00 176.83 177.55 1w2i h MET 23 N 0.72 1.04 -0.58 4.77 1.85 -0.73 -0.87 114.93 121.13 1w2i h MET 23 Ca 0.05 -0.12 -0.01 0.00 -0.61 0.00 0.00 59.70 59.01 1w2i h MET 23 Cb 1.02 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.82 1w2i h MET 23 CO 0.10 0.78 0.33 0.37 -0.40 0.00 0.00 176.91 178.09 1w2i h GLN 24 N 1.03 0.79 -0.25 0.39 4.15 -1.09 0.49 115.11 120.63 1w2i h GLN 24 Ca 0.26 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1w2i h GLN 24 Cb 0.04 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1w2i h GLN 24 CO -0.04 0.59 0.14 -0.09 -1.93 0.00 0.00 178.83 177.51 1w2i h ARG 25 N 0.78 0.29 -0.49 1.69 2.43 -0.86 -1.26 114.38 116.96 1w2i h ARG 25 Ca 0.20 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 1w2i h ARG 25 Cb 0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1w2i h ARG 25 CO -0.04 0.19 -0.21 0.93 -1.51 0.00 0.00 179.97 179.34 1w2i h GLU 26 N 0.30 1.00 -0.41 0.20 4.39 -0.93 -1.38 114.58 117.76 1w2i h GLU 26 Ca 0.10 -0.43 0.04 0.00 0.34 0.00 0.00 59.36 59.41 1w2i h GLU 26 Cb -0.00 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1w2i h GLU 26 CO -0.05 1.11 0.19 0.00 -1.16 0.00 0.00 179.01 179.10 1w2i h ALA 27 N 0.87 0.50 -0.30 3.43 0.00 -0.77 -0.57 119.26 122.42 1w2i h ALA 27 Ca 0.11 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1w2i h ALA 27 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1w2i h ALA 27 CO 0.07 -0.18 -0.28 0.00 0.00 0.00 0.00 179.25 178.86 1w2i h ARG 28 N 0.38 0.62 -0.56 0.00 3.08 -1.05 0.94 114.38 117.80 1w2i h ARG 28 Ca 0.18 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1w2i h ARG 28 Cb 0.11 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1w2i h ARG 28 CO -0.14 0.83 0.33 -0.22 -1.07 0.00 0.00 179.97 179.70 1w2i h LYS 29 N 0.54 0.63 0.00 0.04 3.64 -0.93 -3.13 116.57 117.35 1w2i h LYS 29 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1w2i h LYS 29 Cb 0.75 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1w2i h LYS 29 CO 0.06 0.41 -0.37 1.28 -2.27 0.00 0.00 179.45 178.56 1w2i n LEU 30 N -4.78 0.59 -0.43 5.20 4.77 -0.25 -4.95 117.00 117.15 1w2i n LEU 30 Ca 0.05 0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1w2i n LEU 30 Cb 0.09 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1w2i n LEU 30 CO 0.32 -0.04 -0.03 0.61 -1.33 0.00 0.00 177.39 176.92 1w2i n GLY 31 N 1.38 0.32 3.81 -0.72 0.00 0.16 -4.87 105.19 105.27 1w2i n GLY 31 Ca 0.05 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.29 4.98 0.27 1.61 1.01 -0.23 -4.77 120.40 120.99 1w2i s VAL 32 Ca 0.01 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.01 1w2i s VAL 32 Cb -0.01 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1w2i s VAL 32 CO 0.02 0.53 0.28 0.20 0.00 0.00 0.00 175.10 176.13 1w2i s ASN 33 N -0.79 5.75 0.00 3.32 0.01 -0.01 -4.31 114.94 118.92 1w2i s ASN 33 Ca 0.25 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1w2i s ASN 33 Cb -0.17 -1.44 0.00 0.00 0.41 0.00 0.00 41.25 40.05 1w2i s ASN 33 CO 0.14 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 1w2i n GLY 34 N -1.32 0.33 3.63 0.66 0.00 0.18 -0.33 105.19 108.34 1w2i n GLY 34 Ca -0.06 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.01 -0.37 0.00 1.61 1.48 -0.50 -1.89 118.94 117.25 1w2i s TRP 35 Ca 0.00 0.05 -0.03 0.00 -1.06 0.00 0.00 56.10 55.06 1w2i s TRP 35 Cb 0.00 0.63 -0.01 0.00 -1.16 0.00 0.00 33.47 32.93 1w2i s TRP 35 CO 0.00 -1.02 0.05 0.54 -4.06 0.00 0.00 176.95 172.46 1w2i s VAL 36 N -3.80 0.07 0.02 -0.66 0.11 -0.84 -0.86 120.40 114.44 1w2i s VAL 36 Ca 0.06 -0.60 -0.19 0.00 -2.93 0.00 0.00 61.98 58.32 1w2i s VAL 36 Cb -0.03 -0.27 0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1w2i s VAL 36 CO -0.04 -0.33 0.44 0.00 -3.33 0.00 0.00 175.10 171.84 1w2i s ARG 37 N -1.03 0.91 0.34 1.54 1.70 -0.05 -1.21 118.95 121.15 1w2i s ARG 37 Ca -0.11 -0.25 -0.26 0.00 -0.47 0.00 0.00 55.73 54.64 1w2i s ARG 37 Cb -0.07 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.63 1w2i s ARG 37 CO 0.00 -0.30 1.03 -0.80 -1.08 0.00 0.00 175.30 174.15 1w2i s ASN 38 N -1.79 7.08 0.12 -2.89 0.02 -0.45 -0.78 114.94 116.25 1w2i s ASN 38 Ca -0.07 2.05 0.07 0.00 -1.02 0.00 0.00 52.86 53.89 1w2i s ASN 38 Cb -0.01 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.62 1w2i s ASN 38 CO 0.00 -0.26 -0.06 -0.76 0.02 0.00 0.00 177.10 176.04 1w2i s LEU 39 N -2.09 3.17 0.65 0.60 1.43 -0.23 -4.84 118.68 117.36 1w2i s LEU 39 Ca 0.51 -0.36 0.41 0.00 -1.03 0.00 0.00 54.13 53.66 1w2i s LEU 39 Cb -0.24 -1.92 2.26 0.00 0.03 0.00 0.00 46.19 46.33 1w2i s LEU 39 CO 0.31 0.16 2.34 1.55 0.23 0.00 0.00 176.35 180.93 1w2i h PRO 40 N 3.36 0.00 -0.03 1.29 0.13 -1.98 -1.63 132.00 133.12 1w2i h PRO 40 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1w2i h PRO 40 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1w2i h PRO 40 CO 0.55 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 1w2i n ASP 41 N -3.28 0.38 0.00 1.44 3.85 -1.26 -4.88 116.55 112.80 1w2i n ASP 41 Ca -0.03 -1.46 0.00 0.00 -0.71 0.00 0.00 54.79 52.59 1w2i n ASP 41 Cb 0.08 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 1w2i n ASP 41 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w2i n GLY 42 N 0.88 0.47 3.98 6.12 0.00 -0.61 -5.07 105.19 110.95 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 -2.74 4.94 -0.06 1.61 1.04 -1.25 -4.52 113.70 112.72 1w2i s SER 43 Ca 0.00 -0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.39 1w2i s SER 43 Cb 0.00 -0.60 -0.01 0.00 0.10 0.00 0.00 66.02 65.51 1w2i s SER 43 CO 0.00 -1.41 -0.25 -0.69 0.98 0.00 0.00 173.24 171.87 1w2i s VAL 44 N -2.92 2.05 -0.04 5.02 1.01 -0.29 -1.07 120.40 124.17 1w2i s VAL 44 Ca 0.60 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1w2i s VAL 44 Cb -0.09 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1w2i s VAL 44 CO 0.41 0.57 -0.10 -0.70 0.00 0.00 0.00 175.10 175.27 1w2i s GLU 45 N -0.18 2.56 -0.03 2.72 2.12 0.04 -0.37 118.70 125.55 1w2i s GLU 45 Ca -0.03 -0.67 -0.12 0.00 0.36 0.00 0.00 54.97 54.51 1w2i s GLU 45 Cb -0.14 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.81 1w2i s GLU 45 CO 0.03 0.63 0.26 0.00 -0.54 0.00 0.00 175.26 175.64 1w2i s ALA 46 N -0.83 -0.64 -0.13 6.30 0.00 -0.61 -0.87 121.76 124.97 1w2i s ALA 46 Ca 0.13 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.40 1w2i s ALA 46 Cb -0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1w2i s ALA 46 CO 0.03 -0.22 -0.19 0.08 0.00 0.00 0.00 175.76 175.45 1w2i s VAL 47 N -1.06 2.40 -0.14 0.00 1.01 -0.04 -0.33 120.40 122.23 1w2i s VAL 47 Ca -0.11 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1w2i s VAL 47 Cb -0.05 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1w2i s VAL 47 CO 0.03 0.54 -0.17 -0.76 0.00 0.00 0.00 175.10 174.73 1w2i s LEU 48 N 0.62 1.86 -0.01 3.92 1.02 -0.04 -1.41 118.68 124.64 1w2i s LEU 48 Ca -0.10 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.53 1w2i s LEU 48 Cb -0.16 -1.26 0.02 0.00 0.02 0.00 0.00 46.19 44.81 1w2i s LEU 48 CO 0.03 0.00 0.02 -0.70 0.02 0.00 0.00 176.35 175.72 1w2i s GLU 49 N 1.16 -0.01 0.00 1.70 2.12 0.55 -0.57 118.70 123.65 1w2i s GLU 49 Ca -0.01 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1w2i s GLU 49 Cb -0.14 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.07 1w2i s GLU 49 CO -0.06 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1w2i n GLY 50 N 3.82 -0.86 3.66 -1.50 0.00 -0.80 -0.83 105.19 108.69 1w2i n GLY 50 Ca -0.23 -1.23 -0.45 0.00 0.00 0.00 0.00 46.02 44.10 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 1.70 2.68 -0.03 1.61 2.03 -1.26 -1.26 116.55 122.02 1w2i n ASP 51 Ca 0.00 1.13 0.03 0.00 0.52 0.00 0.00 54.79 56.47 1w2i n ASP 51 Cb 0.00 -1.41 0.37 0.00 -0.72 0.00 0.00 41.12 39.37 1w2i n ASP 51 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1w2i h GLU 52 N 4.47 0.60 -0.35 -0.67 4.11 -1.47 -0.43 114.58 120.84 1w2i h GLU 52 Ca -0.45 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 58.85 1w2i h GLU 52 Cb 1.28 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1w2i h GLU 52 CO 0.78 0.44 -0.10 0.93 0.07 0.00 0.00 179.01 181.13 1w2i h GLU 53 N 0.61 0.60 -0.10 1.06 5.08 -1.90 0.22 114.58 120.15 1w2i h GLU 53 Ca 0.16 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1w2i h GLU 53 Cb 0.01 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1w2i h GLU 53 CO -0.03 0.70 -0.57 0.00 -1.00 0.00 0.00 179.01 178.11 1w2i h ARG 54 N 0.56 0.57 -0.35 2.33 3.08 -1.55 -1.77 114.38 117.25 1w2i h ARG 54 Ca 0.10 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 1w2i h ARG 54 Cb 0.51 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1w2i h ARG 54 CO 0.03 1.10 0.19 0.28 -1.07 0.00 0.00 179.97 180.50 1w2i h VAL 55 N 0.18 1.14 -0.96 2.04 2.07 -1.04 -2.08 116.25 117.60 1w2i h VAL 55 Ca -0.04 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1w2i h VAL 55 Cb 1.22 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1w2i h VAL 55 CO 0.12 0.14 0.63 -0.33 0.02 0.00 0.00 177.57 178.15 1w2i h GLU 56 N 0.44 1.21 -0.84 1.57 5.08 -0.95 -0.66 114.58 120.44 1w2i h GLU 56 Ca 0.12 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1w2i h GLU 56 Cb 0.05 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 1w2i h GLU 56 CO -0.02 0.80 0.48 0.00 -1.00 0.00 0.00 179.01 179.27 1w2i h ALA 57 N 1.38 1.07 -0.27 3.43 0.00 -0.94 -0.98 119.26 122.95 1w2i h ALA 57 Ca 0.37 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1w2i h ALA 57 Cb -0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1w2i h ALA 57 CO -0.11 0.57 -0.52 1.25 0.00 0.00 0.00 179.25 180.44 1w2i h LEU 58 N 1.16 0.86 -0.50 0.00 5.85 -0.91 -1.43 115.31 120.35 1w2i h LEU 58 Ca 0.30 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1w2i h LEU 58 Cb 0.01 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1w2i h LEU 58 CO -0.05 1.22 0.29 0.40 -0.34 0.00 0.00 178.44 179.96 1w2i h ILE 59 N 0.60 1.16 -0.61 4.05 2.04 -0.85 -0.53 117.51 123.36 1w2i h ILE 59 Ca 0.02 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1w2i h ILE 59 Cb 1.10 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1w2i h ILE 59 CO 0.11 0.16 0.33 1.23 0.00 0.00 0.00 178.15 179.98 1w2i h GLY 60 N 0.66 0.91 0.52 5.37 0.00 -1.06 -2.09 103.07 107.39 1w2i h GLY 60 Ca 0.18 -0.42 0.12 0.00 0.00 0.00 0.00 47.33 47.21 1w2i h GLY 60 CO -0.03 0.40 0.62 -0.25 0.00 0.00 0.00 176.54 177.28 1w2i h TRP 61 N 0.83 1.09 0.00 5.60 7.01 -0.98 -2.63 115.95 126.87 1w2i h TRP 61 Ca 0.21 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.24 1w2i h TRP 61 Cb 0.05 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 26.76 1w2i h TRP 61 CO -0.01 0.45 -0.03 0.00 -2.79 0.00 0.00 178.44 176.06 1w2i h ALA 62 N 1.54 1.11 0.00 2.65 0.00 -0.37 0.15 119.26 124.34 1w2i h ALA 62 Ca 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1w2i h ALA 62 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1w2i h ALA 62 CO -0.24 0.04 0.00 0.45 0.00 0.00 0.00 179.25 179.50 1w2i h HIS 63 N 0.00 0.00 0.00 0.00 3.86 -1.43 -3.33 115.15 114.25 1w2i h HIS 63 Ca -0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1w2i h HIS 63 Cb 0.22 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1w2i h HIS 63 CO 0.00 0.00 -1.06 0.94 0.86 0.00 0.00 177.93 178.67 1w2i n GLN 64 N -2.75 0.52 -0.26 2.45 -0.06 -0.03 -4.45 117.38 112.79 1w2i n GLN 64 Ca 0.05 0.49 0.04 0.00 -2.00 0.00 0.00 57.00 55.57 1w2i n GLN 64 Cb 0.49 -1.67 -0.01 0.00 -4.06 0.00 0.00 30.24 24.99 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 1.49 -1.74 3.63 1.69 0.00 0.32 -4.70 105.19 105.88 1w2i n GLY 65 Ca -0.22 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.59 0.09 0.31 1.61 0.04 -1.26 -4.87 135.00 130.33 1w2i s PRO 66 Ca 0.00 0.61 0.07 0.00 0.04 0.00 0.00 61.00 61.72 1w2i s PRO 66 Cb 0.00 -1.69 0.75 0.00 0.04 0.00 0.00 34.50 33.61 1w2i s PRO 66 CO 0.00 -2.99 1.79 -1.35 0.04 0.00 0.00 177.00 174.50 1w2i h PRO 67 N -2.08 0.73 -0.00 0.56 0.11 -1.88 -1.60 132.00 127.84 1w2i h PRO 67 Ca -0.56 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.50 1w2i h PRO 67 Cb 1.33 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1w2i h PRO 67 CO 0.55 0.49 -0.37 1.28 -0.21 0.00 0.00 178.00 179.74 1w2i n LEU 68 N -4.72 0.58 -4.77 2.35 4.77 -1.26 -4.90 117.00 109.05 1w2i n LEU 68 Ca 0.22 -0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.80 1w2i n LEU 68 Cb 0.56 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1w2i n LEU 68 CO 0.23 0.13 0.88 0.00 -1.33 0.00 0.00 177.39 177.29 1w2i s ALA 69 N -2.84 3.14 -0.29 -1.18 0.00 -0.61 -4.95 121.76 115.04 1w2i s ALA 69 Ca 0.16 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 1w2i s ALA 69 Cb 0.18 -3.42 0.09 0.00 0.00 0.00 0.00 23.12 19.98 1w2i s ALA 69 CO 0.62 -0.66 0.09 1.03 0.00 0.00 0.00 175.76 176.85 1w2i s ARG 70 N -2.36 0.63 -0.33 0.00 0.52 -0.50 -4.88 118.95 112.03 1w2i s ARG 70 Ca 0.58 -0.90 -0.18 0.00 -0.52 0.00 0.00 55.73 54.72 1w2i s ARG 70 Cb -0.33 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 1w2i s ARG 70 CO 0.41 -0.94 0.50 0.08 0.02 0.00 0.00 175.30 175.37 1w2i s VAL 71 N 1.73 5.03 -0.07 3.52 1.01 -1.26 -0.47 120.40 129.89 1w2i s VAL 71 Ca 0.08 0.43 0.14 0.00 0.00 0.00 0.00 61.98 62.63 1w2i s VAL 71 Cb -0.17 -3.93 -0.22 0.00 0.00 0.00 0.00 36.38 32.06 1w2i s VAL 71 CO -0.25 -0.15 0.61 0.35 0.00 0.00 0.00 175.10 175.67 1w2i n THR 72 N 5.37 1.54 -3.48 3.92 -2.24 0.26 -4.97 114.28 114.67 1w2i n THR 72 Ca -0.05 -0.79 -0.14 0.00 -2.27 0.00 0.00 64.05 60.80 1w2i n THR 72 Cb 0.49 -0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.62 1.09 -0.12 -0.78 1.70 -1.22 -5.02 118.95 111.98 1w2i s ARG 73 Ca -0.05 -0.08 0.01 0.00 -0.47 0.00 0.00 55.73 55.13 1w2i s ARG 73 Cb 0.08 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.99 1w2i s ARG 73 CO 0.82 -0.41 -0.12 0.08 -1.08 0.00 0.00 175.30 174.60 1w2i s VAL 74 N -2.35 1.31 -0.03 4.99 1.01 -1.26 -1.42 120.40 122.64 1w2i s VAL 74 Ca -0.04 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1w2i s VAL 74 Cb -0.01 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1w2i s VAL 74 CO -0.01 0.41 0.41 -1.61 0.00 0.00 0.00 175.10 174.30 1w2i s GLU 75 N 1.36 4.02 -0.02 2.72 2.02 0.17 -4.96 118.70 124.02 1w2i s GLU 75 Ca 0.00 0.40 0.03 0.00 0.02 0.00 0.00 54.97 55.42 1w2i s GLU 75 Cb -0.13 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.82 1w2i s GLU 75 CO -0.06 0.57 -0.09 0.54 0.02 0.00 0.00 175.26 176.23 1w2i s VAL 76 N -0.69 0.79 -0.09 2.63 0.11 -1.26 -1.37 120.40 120.52 1w2i s VAL 76 Ca 0.24 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1w2i s VAL 76 Cb -0.16 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.02 1w2i s VAL 76 CO 0.12 0.24 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.26 1w2i s LYS 77 N 0.04 1.84 0.00 1.54 2.20 -0.28 -4.99 119.74 120.09 1w2i s LYS 77 Ca -0.01 -0.43 -0.21 0.00 -0.36 0.00 0.00 55.97 54.96 1w2i s LYS 77 Cb -0.07 -1.60 -0.05 0.00 -1.51 0.00 0.00 37.83 34.60 1w2i s LYS 77 CO 0.00 -0.06 0.61 -1.58 -0.36 0.00 0.00 175.35 173.96 1w2i s TRP 78 N 0.97 3.69 0.25 4.03 0.52 -1.26 -0.81 118.94 126.33 1w2i s TRP 78 Ca -0.08 1.23 0.04 0.00 0.02 0.00 0.00 56.10 57.30 1w2i s TRP 78 Cb -0.15 -2.62 -0.05 0.00 -1.15 0.00 0.00 33.47 29.49 1w2i s TRP 78 CO -0.00 0.35 0.01 -1.21 0.02 0.00 0.00 176.95 176.12 1w2i s GLU 79 N -0.21 1.40 -0.01 4.98 2.02 0.15 -4.98 118.70 122.05 1w2i s GLU 79 Ca 0.32 -1.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.28 1w2i s GLU 79 Cb -0.18 -0.65 -0.05 0.00 0.10 0.00 0.00 34.13 33.35 1w2i s GLU 79 CO 0.18 -0.12 1.28 -1.14 0.02 0.00 0.00 175.26 175.48 1w2i s GLN 80 N -3.87 4.34 0.30 1.61 2.00 -1.26 -3.84 119.66 118.93 1w2i s GLN 80 Ca 0.30 1.82 -0.29 0.00 -2.00 0.00 0.00 55.36 55.19 1w2i s GLN 80 Cb 0.06 -3.51 -0.13 0.00 0.80 0.00 0.00 33.01 30.23 1w2i s GLN 80 CO 0.10 -0.46 1.32 -2.30 -0.50 0.00 0.00 175.29 173.45 1w2i n PRO 81 N 4.98 2.03 -0.00 1.67 -0.02 -1.26 -4.92 135.00 137.47 1w2i n PRO 81 Ca 0.11 0.72 0.06 0.00 -2.02 0.00 0.00 63.50 62.37 1w2i n PRO 81 Cb 0.45 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 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 1.17 2.15 -0.57 -0.52 5.02 -1.26 -5.01 118.16 119.13 1w2i n LYS 82 Ca 0.08 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1w2i n LYS 82 Cb 0.34 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1w2i n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1w2i n GLY 83 N 1.42 0.99 3.76 0.72 0.00 -1.26 -5.08 105.19 105.73 1w2i n GLY 83 Ca 0.01 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1w2i n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w2i s GLU 84 N -1.14 3.41 -0.06 1.61 0.41 -1.26 -5.03 118.70 116.65 1w2i s GLU 84 Ca 0.00 2.20 -0.02 0.00 -0.41 0.00 0.00 54.97 56.73 1w2i s GLU 84 Cb 0.00 -2.40 0.03 0.00 -1.78 0.00 0.00 34.13 29.98 1w2i s GLU 84 CO 0.00 -0.96 0.07 0.21 -0.49 0.00 0.00 175.26 174.09 1w2i s LYS 85 N -2.73 -0.06 0.00 1.61 2.20 -1.26 -4.81 119.74 114.69 1w2i s LYS 85 Ca 0.67 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1w2i s LYS 85 Cb -0.39 -0.66 0.00 0.00 -1.51 0.00 0.00 37.83 35.27 1w2i s LYS 85 CO 0.48 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.51 1w2i n GLY 86 N 5.30 -1.96 3.17 5.54 0.00 -1.26 -4.82 105.19 111.15 1w2i n GLY 86 Ca -0.04 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.09 1.97 0.10 1.61 5.36 -1.26 -0.64 117.98 123.03 1w2i s PHE 87 Ca 0.00 -0.62 -0.04 0.00 -0.96 0.00 0.00 56.93 55.31 1w2i s PHE 87 Cb 0.00 -1.32 -0.03 0.00 -0.34 0.00 0.00 43.02 41.33 1w2i s PHE 87 CO 0.00 -0.22 0.09 -0.98 -1.46 0.00 0.00 175.22 172.65 1w2i s ARG 88 N 0.09 0.85 -0.21 10.12 1.70 -0.79 -4.95 118.95 125.76 1w2i s ARG 88 Ca -0.07 -1.24 -0.11 0.00 -0.47 0.00 0.00 55.73 53.84 1w2i s ARG 88 Cb -0.13 0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.47 1w2i s ARG 88 CO 0.04 -0.24 0.19 0.42 -1.08 0.00 0.00 175.30 174.63 1w2i s ILE 89 N -3.96 5.35 0.00 4.99 1.01 -1.26 -1.98 121.20 125.35 1w2i s ILE 89 Ca 0.14 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1w2i s ILE 89 Cb 0.06 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1w2i s ILE 89 CO -0.04 0.37 0.68 1.33 0.00 0.00 0.00 174.94 177.27 1w2i n VAL 90 N 3.95 0.37 0.00 2.92 0.24 -0.35 -4.95 118.33 120.52 1w2i n VAL 90 Ca -0.14 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1w2i n VAL 90 Cb 0.52 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 1w2i n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30