#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4d s ILE 3 N 0.00 4.70 0.24 0.00 -1.09 -1.26 -1.88 121.20 121.91 2w4d s ILE 3 Ca 0.00 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.43 2w4d s ILE 3 Cb 0.00 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 2w4d s ILE 3 CO 0.00 0.45 -0.10 0.68 -1.23 0.00 0.00 174.94 174.74 2w4d s VAL 4 N 0.52 1.67 -0.08 2.92 -7.23 0.71 -4.83 120.40 114.09 2w4d s VAL 4 Ca 0.03 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 2w4d s VAL 4 Cb -0.13 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.58 2w4d s VAL 4 CO 0.01 -0.44 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.68 2w4d s ARG 5 N -3.69 1.37 -0.08 4.82 3.52 -1.24 -1.69 118.95 121.96 2w4d s ARG 5 Ca 0.26 -0.26 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 2w4d s ARG 5 Cb 0.02 -1.30 -0.00 0.00 -1.56 0.00 0.00 34.95 32.10 2w4d s ARG 5 CO 0.09 -0.11 -0.22 0.00 -0.81 0.00 0.00 175.30 174.25 2w4d s ALA 6 N 1.14 1.99 -0.31 6.12 0.00 0.93 -1.36 121.76 130.27 2w4d s ALA 6 Ca -0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 2w4d s ALA 6 Cb -0.14 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 2w4d s ALA 6 CO -0.01 0.30 0.15 -1.58 0.00 0.00 0.00 175.76 174.62 2w4d s HIS 7 N 0.21 3.18 0.14 0.00 2.46 0.40 -0.73 115.29 120.94 2w4d s HIS 7 Ca -0.13 -0.64 0.05 0.00 0.47 0.00 0.00 55.06 54.81 2w4d s HIS 7 Cb -0.16 -2.35 -0.04 0.00 -0.13 0.00 0.00 32.58 29.90 2w4d s HIS 7 CO 0.06 -0.48 0.12 -0.51 -2.47 0.00 0.00 174.74 171.46 2w4d s LEU 8 N 1.60 3.79 -0.16 8.88 1.43 0.11 -1.47 118.68 132.86 2w4d s LEU 8 Ca 0.04 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2w4d s LEU 8 Cb -0.17 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.68 2w4d s LEU 8 CO 0.06 0.10 0.05 -0.54 0.23 0.00 0.00 176.35 176.25 2w4d s LYS 9 N -2.91 0.40 -0.17 1.70 -0.14 -0.41 -1.87 119.74 116.34 2w4d s LYS 9 Ca 0.30 -0.18 -0.05 0.00 -1.36 0.00 0.00 55.97 54.69 2w4d s LYS 9 Cb -0.11 -1.75 -0.03 0.00 -1.68 0.00 0.00 37.83 34.26 2w4d s LYS 9 CO 0.23 -0.58 -0.01 0.42 -0.76 0.00 0.00 175.35 174.65 2w4d s ILE 10 N 1.99 4.12 0.26 2.17 1.01 0.52 -0.97 121.20 130.29 2w4d s ILE 10 Ca 0.01 -0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.50 2w4d s ILE 10 Cb -0.16 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 2w4d s ILE 10 CO -0.08 0.48 -0.19 -0.31 0.00 0.00 0.00 174.94 174.84 2w4d s TYR 11 N 0.42 2.19 -0.62 3.97 1.51 -0.20 -1.02 117.35 123.59 2w4d s TYR 11 Ca -0.02 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2w4d s TYR 11 Cb -0.14 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 40.75 2w4d s TYR 11 CO 0.02 0.64 0.00 0.41 -1.11 0.00 0.00 175.55 175.52 2w4d n GLY 12 N -0.53 0.26 3.43 0.71 0.00 -1.26 -1.01 105.19 106.80 2w4d n GLY 12 Ca -0.06 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.62 2w4d n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2w4d s ARG 13 N -0.38 3.75 0.00 1.61 3.52 0.18 -4.71 118.95 122.92 2w4d s ARG 13 Ca 0.00 -2.12 0.00 0.00 -0.13 0.00 0.00 55.73 53.48 2w4d s ARG 13 Cb 0.00 -4.88 0.00 0.00 -1.56 0.00 0.00 34.95 28.51 2w4d s ARG 13 CO 0.00 -1.69 0.34 1.33 -0.81 0.00 0.00 175.30 174.47 2w4d n VAL 14 N 4.97 0.00 -4.35 7.11 0.24 -1.26 -0.99 118.33 124.05 2w4d n VAL 14 Ca 0.26 -0.47 -0.29 0.00 -2.04 0.00 0.00 64.34 61.80 2w4d n VAL 14 Cb 0.47 1.04 -0.12 0.00 -1.47 0.00 0.00 33.84 33.77 2w4d n VAL 14 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2w4d s GLN 15 N -0.25 1.76 -0.68 7.34 -0.21 -1.26 -4.55 119.66 121.81 2w4d s GLN 15 Ca 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 55.36 54.20 2w4d s GLN 15 Cb 0.00 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.92 2w4d s GLN 15 CO 0.00 0.48 0.00 0.41 -2.12 0.00 0.00 175.29 174.06 2w4d n GLY 16 N 0.87 0.52 0.01 3.09 0.00 -1.26 -4.88 105.19 103.54 2w4d n GLY 16 Ca -0.16 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2w4d n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2w4d n VAL 17 N -3.37 0.58 -2.20 1.61 0.24 -1.26 -4.99 118.33 108.93 2w4d n VAL 17 Ca -0.08 -0.58 -0.06 0.00 -2.04 0.00 0.00 64.34 61.58 2w4d n VAL 17 Cb 0.39 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 2w4d n VAL 17 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2w4d n GLY 18 N -0.30 0.18 0.08 7.63 0.00 -1.26 -4.71 105.19 106.81 2w4d n GLY 18 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 2w4d n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2w4d h PHE 19 N -0.10 0.14 -0.15 1.61 3.04 -1.95 -2.25 116.94 117.29 2w4d h PHE 19 Ca -0.14 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.80 2w4d h PHE 19 Cb 1.10 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.56 2w4d h PHE 19 CO 0.15 0.46 0.01 0.00 -2.02 0.00 0.00 178.31 176.92 2w4d h ARG 20 N -0.21 0.07 -0.52 1.11 3.08 -1.93 0.78 114.38 116.75 2w4d h ARG 20 Ca 0.02 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.08 2w4d h ARG 20 Cb 0.41 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2w4d h ARG 20 CO 0.01 0.04 0.32 2.35 -1.07 0.00 0.00 179.97 181.62 2w4d h TRP 21 N 0.07 0.59 -0.60 3.04 7.01 -1.98 -1.80 115.95 122.29 2w4d h TRP 21 Ca 0.07 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.01 2w4d h TRP 21 Cb 0.07 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 2w4d h TRP 21 CO -0.14 0.35 0.07 0.77 -2.79 0.00 0.00 178.44 176.70 2w4d h SER 22 N 0.63 0.94 -0.19 2.65 0.02 -1.04 -1.35 113.55 115.22 2w4d h SER 22 Ca 0.20 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 2w4d h SER 22 Cb -0.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2w4d h SER 22 CO -0.08 0.96 -0.34 -0.03 -1.14 0.00 0.00 176.83 176.20 2w4d h MET 23 N 0.92 0.70 -0.31 3.45 1.85 -0.62 -0.71 114.93 120.21 2w4d h MET 23 Ca 0.18 -0.33 -0.03 0.00 -0.61 0.00 0.00 59.70 58.91 2w4d h MET 23 Cb 0.44 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.45 2w4d h MET 23 CO 0.02 0.94 0.08 0.37 -0.40 0.00 0.00 176.91 177.91 2w4d h GLN 24 N 0.59 0.50 0.08 0.39 4.15 -1.11 0.23 115.11 119.94 2w4d h GLN 24 Ca 0.06 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.37 2w4d h GLN 24 Cb 0.86 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 2w4d h GLN 24 CO 0.08 0.57 -0.10 -0.09 -1.93 0.00 0.00 178.83 177.35 2w4d h ARG 25 N 0.34 -0.21 -0.95 1.69 2.43 -1.08 -1.21 114.38 115.39 2w4d h ARG 25 Ca 0.10 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2w4d h ARG 25 Cb 0.29 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 2w4d h ARG 25 CO 0.00 -0.14 0.60 1.49 -1.51 0.00 0.00 179.97 180.41 2w4d h GLU 26 N -0.22 1.27 -0.35 0.20 4.57 -1.00 -2.18 114.58 116.87 2w4d h GLU 26 Ca 0.01 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2w4d h GLU 26 Cb 0.22 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2w4d h GLU 26 CO -0.05 0.86 0.15 0.00 -1.18 0.00 0.00 179.01 178.79 2w4d h ALA 27 N 1.37 0.45 -0.81 2.92 0.00 -0.19 -1.70 119.26 121.30 2w4d h ALA 27 Ca 0.34 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2w4d h ALA 27 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2w4d h ALA 27 CO -0.07 0.04 0.36 0.00 0.00 0.00 0.00 179.25 179.58 2w4d h ARG 28 N 0.42 1.18 -0.64 0.00 3.08 -0.96 0.50 114.38 117.96 2w4d h ARG 28 Ca 0.12 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2w4d h ARG 28 Cb 0.17 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2w4d h ARG 28 CO -0.01 0.93 0.36 -0.22 -1.07 0.00 0.00 179.97 179.96 2w4d h LYS 29 N 1.16 0.88 0.00 0.04 3.64 -1.19 -2.57 116.57 118.53 2w4d h LYS 29 Ca 0.27 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2w4d h LYS 29 Cb 0.16 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2w4d h LYS 29 CO -0.03 0.66 -0.33 1.28 -2.27 0.00 0.00 179.45 178.76 2w4d n LEU 30 N -4.56 0.65 -0.23 5.20 4.77 -0.66 -4.95 117.00 117.22 2w4d n LEU 30 Ca 0.05 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2w4d n LEU 30 Cb 0.08 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2w4d n LEU 30 CO 0.37 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2w4d n GLY 31 N 1.36 0.69 3.88 -0.72 0.00 0.15 -4.88 105.19 105.67 2w4d n GLY 31 Ca 0.05 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 2w4d n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w4d s VAL 32 N -2.46 5.35 0.25 1.61 1.01 0.40 -4.83 120.40 121.73 2w4d s VAL 32 Ca 0.00 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.27 2w4d s VAL 32 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2w4d s VAL 32 CO 0.00 0.46 0.21 0.20 0.00 0.00 0.00 175.10 175.97 2w4d s ASN 33 N -1.45 5.59 0.00 3.32 0.01 0.18 -4.26 114.94 118.33 2w4d s ASN 33 Ca 0.23 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 2w4d s ASN 33 Cb -0.13 -1.45 0.00 0.00 0.41 0.00 0.00 41.25 40.08 2w4d s ASN 33 CO 0.12 -0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 2w4d n GLY 34 N -1.17 0.65 3.58 0.66 0.00 -0.45 -0.01 105.19 108.45 2w4d n GLY 34 Ca -0.08 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 2w4d n GLY 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2w4d s TRP 35 N -2.69 0.28 0.00 1.61 1.48 -0.83 -1.01 118.94 117.79 2w4d s TRP 35 Ca 0.00 -0.64 -0.09 0.00 -1.06 0.00 0.00 56.10 54.30 2w4d s TRP 35 Cb 0.00 0.22 0.01 0.00 -1.16 0.00 0.00 33.47 32.54 2w4d s TRP 35 CO 0.00 -0.98 0.18 0.54 -4.06 0.00 0.00 176.95 172.63 2w4d s VAL 36 N -3.99 0.08 -0.04 -0.66 0.11 -0.84 -0.72 120.40 114.34 2w4d s VAL 36 Ca 0.20 -0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 58.29 2w4d s VAL 36 Cb -0.01 -0.52 0.10 0.00 -1.53 0.00 0.00 36.38 34.43 2w4d s VAL 36 CO 0.07 -0.37 0.88 0.00 -3.33 0.00 0.00 175.10 172.35 2w4d s ARG 37 N -1.48 0.81 0.12 1.54 1.70 0.09 -1.61 118.95 120.12 2w4d s ARG 37 Ca -0.14 -0.16 -0.23 0.00 -0.47 0.00 0.00 55.73 54.74 2w4d s ARG 37 Cb -0.07 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.62 2w4d s ARG 37 CO 0.02 -0.33 0.69 -0.80 -1.08 0.00 0.00 175.30 173.80 2w4d s ASN 38 N -2.06 7.23 0.16 -2.89 0.02 -1.26 -0.68 114.94 115.46 2w4d s ASN 38 Ca 0.02 1.46 0.07 0.00 -1.02 0.00 0.00 52.86 53.39 2w4d s ASN 38 Cb -0.01 -2.44 -0.04 0.00 0.02 0.00 0.00 41.25 38.79 2w4d s ASN 38 CO -0.05 0.22 0.02 -0.76 0.02 0.00 0.00 177.10 176.55 2w4d s LEU 39 N -1.03 3.40 0.60 0.60 1.43 -0.46 -4.93 118.68 118.29 2w4d s LEU 39 Ca 0.33 -0.33 0.35 0.00 -1.03 0.00 0.00 54.13 53.45 2w4d s LEU 39 Cb -0.21 -2.06 1.92 0.00 0.03 0.00 0.00 46.19 45.86 2w4d s LEU 39 CO 0.23 0.10 2.07 1.55 0.23 0.00 0.00 176.35 180.53 2w4d h PRO 40 N 2.77 0.00 -0.20 1.29 0.13 -1.98 -1.00 132.00 133.01 2w4d h PRO 40 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2w4d h PRO 40 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2w4d h PRO 40 CO 0.59 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 2w4d n ASP 41 N -2.84 1.21 0.00 1.44 3.85 -1.26 -4.89 116.55 114.06 2w4d n ASP 41 Ca -0.02 -1.91 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 2w4d n ASP 41 Cb 0.17 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 2w4d n ASP 41 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2w4d n GLY 42 N 0.90 1.24 3.99 6.12 0.00 -0.38 -5.05 105.19 112.01 2w4d n GLY 42 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2w4d n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w4d s SER 43 N -3.08 4.73 -0.03 1.61 1.04 -1.25 -4.53 113.70 112.20 2w4d s SER 43 Ca 0.00 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.26 2w4d s SER 43 Cb 0.00 -0.34 -0.02 0.00 0.10 0.00 0.00 66.02 65.76 2w4d s SER 43 CO 0.00 -1.58 -0.24 -0.69 0.98 0.00 0.00 173.24 171.71 2w4d s VAL 44 N -2.99 2.21 -0.01 5.02 1.01 -0.19 -1.35 120.40 124.10 2w4d s VAL 44 Ca 0.63 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 61.63 2w4d s VAL 44 Cb -0.07 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2w4d s VAL 44 CO 0.42 0.58 -0.25 -0.70 0.00 0.00 0.00 175.10 175.16 2w4d s GLU 45 N -0.62 1.94 0.06 2.72 2.12 0.15 -0.35 118.70 124.71 2w4d s GLU 45 Ca 0.10 -0.91 -0.17 0.00 0.36 0.00 0.00 54.97 54.36 2w4d s GLU 45 Cb -0.10 -1.91 0.03 0.00 0.26 0.00 0.00 34.13 32.41 2w4d s GLU 45 CO -0.01 0.52 0.39 0.00 -0.54 0.00 0.00 175.26 175.62 2w4d s ALA 46 N -0.61 -0.93 -0.11 6.30 0.00 -0.78 -0.73 121.76 124.90 2w4d s ALA 46 Ca 0.10 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.24 2w4d s ALA 46 Cb -0.09 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.45 2w4d s ALA 46 CO -0.00 -0.49 -0.14 0.08 0.00 0.00 0.00 175.76 175.21 2w4d s VAL 47 N -2.77 1.45 -0.09 0.00 1.01 0.10 0.08 120.40 120.18 2w4d s VAL 47 Ca -0.03 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2w4d s VAL 47 Cb -0.00 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 2w4d s VAL 47 CO -0.05 0.43 -0.24 -0.76 0.00 0.00 0.00 175.10 174.49 2w4d s LEU 48 N 1.09 2.06 -0.02 3.92 1.43 0.09 -1.96 118.68 125.28 2w4d s LEU 48 Ca -0.05 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2w4d s LEU 48 Cb -0.14 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.72 2w4d s LEU 48 CO -0.03 0.17 0.05 -0.70 0.23 0.00 0.00 176.35 176.07 2w4d s GLU 49 N 0.26 0.02 0.00 1.70 2.12 0.99 -0.05 118.70 123.74 2w4d s GLU 49 Ca -0.16 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.32 2w4d s GLU 49 Cb -0.17 -0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.11 2w4d s GLU 49 CO 0.08 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 2w4d n GLY 50 N 3.65 -0.23 3.73 -1.50 0.00 -0.68 -0.65 105.19 109.52 2w4d n GLY 50 Ca -0.20 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2w4d n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2w4d s ASP 51 N -4.00 6.83 0.40 1.61 1.11 -1.25 -0.21 116.67 121.16 2w4d s ASP 51 Ca 0.00 2.42 0.20 0.00 0.18 0.00 0.00 52.55 55.34 2w4d s ASP 51 Cb 0.00 -2.60 1.15 0.00 1.07 0.00 0.00 42.92 42.54 2w4d s ASP 51 CO 0.00 -0.60 1.74 1.05 1.18 0.00 0.00 175.17 178.54 2w4d h GLU 52 N 5.85 0.34 -0.70 8.23 4.11 -1.72 0.19 114.58 130.87 2w4d h GLU 52 Ca -0.44 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 58.92 2w4d h GLU 52 Cb 1.21 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 2w4d h GLU 52 CO 0.81 0.22 0.24 1.05 0.07 0.00 0.00 179.01 181.40 2w4d h GLU 53 N 0.35 1.08 -0.10 1.06 4.11 -1.90 -0.68 114.58 118.50 2w4d h GLU 53 Ca 0.64 -0.22 -0.24 0.00 0.07 0.00 0.00 59.36 59.61 2w4d h GLU 53 Cb 1.68 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.78 2w4d h GLU 53 CO -0.34 0.92 -0.87 0.07 0.07 0.00 0.00 179.01 178.86 2w4d h ARG 54 N 1.03 0.75 -0.46 1.06 0.11 -1.02 -2.46 114.38 113.39 2w4d h ARG 54 Ca 0.23 -0.67 -0.06 0.00 0.10 0.00 0.00 59.98 59.58 2w4d h ARG 54 Cb 0.27 0.16 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 2w4d h ARG 54 CO -0.01 1.27 0.06 0.28 0.10 0.00 0.00 179.97 181.67 2w4d h VAL 55 N 0.49 1.25 -0.78 0.08 2.07 -1.06 -1.99 116.25 116.30 2w4d h VAL 55 Ca -0.08 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2w4d h VAL 55 Cb 1.50 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 2w4d h VAL 55 CO 0.17 0.33 0.39 -0.33 0.02 0.00 0.00 177.57 178.16 2w4d h GLU 56 N 0.64 1.11 -0.86 1.57 5.08 -1.17 0.15 114.58 121.09 2w4d h GLU 56 Ca 0.14 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2w4d h GLU 56 Cb 0.41 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2w4d h GLU 56 CO 0.01 0.84 0.43 0.00 -1.00 0.00 0.00 179.01 179.29 2w4d h ALA 57 N 1.32 1.11 -0.24 3.43 0.00 -1.14 -0.42 119.26 123.34 2w4d h ALA 57 Ca 0.27 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2w4d h ALA 57 Cb 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2w4d h ALA 57 CO -0.04 0.66 -0.54 1.25 0.00 0.00 0.00 179.25 180.59 2w4d h LEU 58 N 1.23 0.78 -0.47 0.00 6.46 -0.67 -1.87 115.31 120.76 2w4d h LEU 58 Ca 0.30 -0.41 -0.03 0.00 -0.12 0.00 0.00 57.88 57.62 2w4d h LEU 58 Cb 0.10 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 2w4d h LEU 58 CO -0.04 1.16 0.18 0.40 -0.62 0.00 0.00 178.44 179.52 2w4d h ILE 59 N 0.54 1.21 -0.34 4.05 2.04 -0.61 -0.28 117.51 124.12 2w4d h ILE 59 Ca 0.01 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.25 2w4d h ILE 59 Cb 1.11 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2w4d h ILE 59 CO 0.11 0.24 0.17 1.23 0.00 0.00 0.00 178.15 179.90 2w4d h GLY 60 N 0.61 0.45 0.73 5.37 0.00 -0.98 -2.00 103.07 107.25 2w4d h GLY 60 Ca 0.16 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.43 2w4d h GLY 60 CO -0.01 0.09 0.56 -0.25 0.00 0.00 0.00 176.54 176.93 2w4d h TRP 61 N 0.34 1.04 0.00 5.60 7.01 -1.00 -1.65 115.95 127.29 2w4d h TRP 61 Ca 0.14 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.17 2w4d h TRP 61 Cb 0.06 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 26.78 2w4d h TRP 61 CO -0.10 0.53 0.14 0.00 -2.79 0.00 0.00 178.44 176.22 2w4d h ALA 62 N 1.42 1.13 0.00 2.65 0.00 -0.27 0.40 119.26 124.59 2w4d h ALA 62 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2w4d h ALA 62 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2w4d h ALA 62 CO -0.17 -0.13 -0.18 0.72 0.00 0.00 0.00 179.25 179.48 2w4d n HIS 63 N -2.78 0.81 -0.07 0.00 8.25 -0.62 -4.06 115.22 116.74 2w4d n HIS 63 Ca -0.02 0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.57 2w4d n HIS 63 Cb 0.20 -0.85 -0.03 0.00 1.12 0.00 0.00 29.99 30.42 2w4d n HIS 63 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2w4d n GLN 64 N -2.20 0.42 -0.53 -0.41 -0.06 0.11 -4.48 117.38 110.22 2w4d n GLN 64 Ca 0.05 0.17 0.07 0.00 -2.00 0.00 0.00 57.00 55.29 2w4d n GLN 64 Cb 0.43 -1.24 -0.02 0.00 -4.06 0.00 0.00 30.24 25.35 2w4d n GLN 64 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2w4d n GLY 65 N 1.85 -1.81 3.69 1.69 0.00 0.86 -4.68 105.19 106.79 2w4d n GLY 65 Ca -0.17 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 2w4d n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2w4d s PRO 66 N -1.07 1.46 0.28 1.61 0.04 -1.26 -4.83 135.00 131.23 2w4d s PRO 66 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2w4d s PRO 66 Cb 0.00 -1.76 0.66 0.00 0.04 0.00 0.00 34.50 33.44 2w4d s PRO 66 CO 0.00 -2.34 1.43 -2.30 0.04 0.00 0.00 177.00 173.84 2w4d n PRO 67 N -3.54 -0.07 0.11 0.56 -0.02 -1.26 -0.73 135.00 130.04 2w4d n PRO 67 Ca 0.13 1.38 0.12 0.00 -2.02 0.00 0.00 63.50 63.12 2w4d n PRO 67 Cb 0.51 -2.17 0.45 0.00 -0.02 0.00 0.00 33.50 32.26 2w4d n PRO 67 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2w4d n LEU 68 N -5.37 0.69 -4.77 2.45 4.77 -1.26 -4.87 117.00 108.64 2w4d n LEU 68 Ca 0.20 0.61 -0.37 0.00 -0.03 0.00 0.00 56.01 56.42 2w4d n LEU 68 Cb 0.67 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2w4d n LEU 68 CO -0.08 -0.34 0.77 0.00 -1.33 0.00 0.00 177.39 176.42 2w4d s ALA 69 N -3.19 3.13 -0.40 -1.18 0.00 0.09 -4.96 121.76 115.25 2w4d s ALA 69 Ca 0.08 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.86 2w4d s ALA 69 Cb 0.11 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 20.06 2w4d s ALA 69 CO 0.50 -0.32 0.23 1.03 0.00 0.00 0.00 175.76 177.20 2w4d s ARG 70 N -2.34 0.98 -0.12 0.00 1.81 -0.16 -4.91 118.95 114.21 2w4d s ARG 70 Ca 0.56 -1.73 -0.29 0.00 -1.72 0.00 0.00 55.73 52.55 2w4d s ARG 70 Cb -0.26 -1.90 -0.01 0.00 -0.45 0.00 0.00 34.95 32.34 2w4d s ARG 70 CO 0.32 -1.19 0.98 0.08 -0.68 0.00 0.00 175.30 174.82 2w4d s VAL 71 N 0.64 4.80 -0.06 3.52 1.01 -1.26 -0.65 120.40 128.39 2w4d s VAL 71 Ca 0.18 1.98 0.17 0.00 0.00 0.00 0.00 61.98 64.32 2w4d s VAL 71 Cb -0.23 -4.29 -0.26 0.00 0.00 0.00 0.00 36.38 31.60 2w4d s VAL 71 CO 0.00 0.00 0.39 0.35 0.00 0.00 0.00 175.10 175.85 2w4d n THR 72 N 4.59 0.00 -3.60 3.92 -2.24 -0.18 -4.98 114.28 111.79 2w4d n THR 72 Ca 0.08 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 2w4d n THR 72 Cb 0.49 0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 2w4d n THR 72 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2w4d s ARG 73 N -3.15 0.71 -0.05 -0.78 3.52 -1.20 -5.02 118.95 112.98 2w4d s ARG 73 Ca -0.06 0.50 0.01 0.00 -0.13 0.00 0.00 55.73 56.05 2w4d s ARG 73 Cb 0.11 0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.86 2w4d s ARG 73 CO 0.70 -0.16 -0.04 0.08 -0.81 0.00 0.00 175.30 175.07 2w4d s VAL 74 N -0.37 0.56 -0.20 7.11 1.01 -1.26 -1.04 120.40 126.21 2w4d s VAL 74 Ca -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 2w4d s VAL 74 Cb -0.03 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 2w4d s VAL 74 CO 0.01 0.24 -0.04 -1.61 0.00 0.00 0.00 175.10 173.70 2w4d s GLU 75 N 1.03 3.46 0.09 2.72 2.02 -0.15 -4.97 118.70 122.91 2w4d s GLU 75 Ca -0.09 -0.60 0.08 0.00 0.02 0.00 0.00 54.97 54.38 2w4d s GLU 75 Cb -0.14 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2w4d s GLU 75 CO -0.01 -0.07 -0.15 0.54 0.02 0.00 0.00 175.26 175.59 2w4d s VAL 76 N 1.17 3.03 -0.06 2.63 0.11 -1.26 -1.29 120.40 124.73 2w4d s VAL 76 Ca 0.02 -1.31 -0.03 0.00 -2.93 0.00 0.00 61.98 57.74 2w4d s VAL 76 Cb -0.14 -2.37 0.04 0.00 -1.53 0.00 0.00 36.38 32.38 2w4d s VAL 76 CO -0.00 0.18 0.08 -0.75 -3.33 0.00 0.00 175.10 171.28 2w4d s LYS 77 N -1.93 -0.05 0.03 1.54 2.36 -0.54 -4.96 119.74 116.19 2w4d s LYS 77 Ca 0.18 0.33 -0.23 0.00 -2.55 0.00 0.00 55.97 53.70 2w4d s LYS 77 Cb -0.11 -0.68 -0.06 0.00 -1.05 0.00 0.00 37.83 35.93 2w4d s LYS 77 CO 0.10 -0.38 0.67 -1.58 1.55 0.00 0.00 175.35 175.71 2w4d s TRP 78 N 2.18 3.72 0.33 4.03 0.52 -1.26 -0.46 118.94 128.00 2w4d s TRP 78 Ca 0.04 1.34 0.04 0.00 0.02 0.00 0.00 56.10 57.55 2w4d s TRP 78 Cb -0.13 -2.70 -0.03 0.00 -1.15 0.00 0.00 33.47 29.46 2w4d s TRP 78 CO -0.04 0.34 0.19 -1.21 0.02 0.00 0.00 176.95 176.24 2w4d s GLU 79 N -0.22 1.69 -0.02 4.98 2.02 -0.46 -4.99 118.70 121.71 2w4d s GLU 79 Ca 0.34 -1.99 -0.30 0.00 0.02 0.00 0.00 54.97 53.05 2w4d s GLU 79 Cb -0.19 -0.07 -0.03 0.00 0.10 0.00 0.00 34.13 33.94 2w4d s GLU 79 CO 0.20 -0.51 1.00 -0.65 0.02 0.00 0.00 175.26 175.32 2w4d s GLN 80 N -3.70 4.53 0.56 1.61 -1.52 -1.26 -3.68 119.66 116.19 2w4d s GLN 80 Ca 0.35 1.43 -0.20 0.00 -1.95 0.00 0.00 55.36 54.99 2w4d s GLN 80 Cb 0.04 -3.47 -0.07 0.00 -0.22 0.00 0.00 33.01 29.29 2w4d s GLN 80 CO 0.19 -0.11 0.87 -2.30 -0.25 0.00 0.00 175.29 173.70 2w4d n PRO 81 N 4.12 0.90 0.00 2.91 -0.02 -1.26 -4.91 135.00 136.75 2w4d n PRO 81 Ca 0.07 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2w4d n PRO 81 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2w4d n PRO 81 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2w4d n LYS 82 N -0.55 -0.82 -0.38 -0.52 5.02 -1.26 -5.01 118.16 114.64 2w4d n LYS 82 Ca 0.12 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 2w4d n LYS 82 Cb 0.46 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 2w4d n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w4d n GLY 83 N 0.05 1.24 3.62 0.72 0.00 -1.26 -5.05 105.19 104.51 2w4d n GLY 83 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2w4d n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2w4d n GLU 84 N -1.58 1.39 -3.69 1.61 -0.58 -1.26 -4.99 120.64 111.53 2w4d n GLU 84 Ca 0.00 0.50 -0.22 0.00 -0.42 0.00 0.00 57.16 57.02 2w4d n GLU 84 Cb 0.07 -2.10 -0.18 0.00 -0.57 0.00 0.00 31.44 28.66 2w4d n GLU 84 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2w4d s LYS 85 N -2.11 0.12 0.00 3.49 2.20 -1.26 -4.80 119.74 117.38 2w4d s LYS 85 Ca 0.64 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 2w4d s LYS 85 Cb -0.54 -0.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.97 2w4d s LYS 85 CO 0.56 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.59 2w4d n GLY 86 N 5.25 -2.39 3.27 5.54 0.00 -1.26 -4.79 105.19 110.80 2w4d n GLY 86 Ca -0.05 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 2w4d n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2w4d s PHE 87 N -3.07 2.87 0.22 1.61 5.36 -1.26 -1.34 117.98 122.37 2w4d s PHE 87 Ca 0.00 -1.07 0.08 0.00 -0.96 0.00 0.00 56.93 54.98 2w4d s PHE 87 Cb 0.00 -1.99 -0.05 0.00 -0.34 0.00 0.00 43.02 40.65 2w4d s PHE 87 CO 0.00 -0.54 -0.13 -0.98 -1.46 0.00 0.00 175.22 172.11 2w4d s ARG 88 N 1.15 1.38 -0.30 10.12 1.70 -0.18 -4.95 118.95 127.87 2w4d s ARG 88 Ca 0.01 -1.64 -0.13 0.00 -0.47 0.00 0.00 55.73 53.51 2w4d s ARG 88 Cb -0.14 -1.14 -0.04 0.00 -0.57 0.00 0.00 34.95 33.07 2w4d s ARG 88 CO -0.04 0.15 0.26 0.42 -1.08 0.00 0.00 175.30 175.02 2w4d s ILE 89 N -2.98 5.26 0.36 4.99 1.01 -1.26 -1.99 121.20 126.59 2w4d s ILE 89 Ca 0.24 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.06 2w4d s ILE 89 Cb 0.00 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.85 2w4d s ILE 89 CO 0.08 0.13 0.21 1.33 0.00 0.00 0.00 174.94 176.68 2w4d n VAL 90 N 5.11 0.00 0.74 2.92 0.24 -0.63 -4.96 118.33 121.74 2w4d n VAL 90 Ca -0.12 -1.49 0.09 0.00 -2.04 0.00 0.00 64.34 60.78 2w4d n VAL 90 Cb 0.51 -0.06 0.07 0.00 -1.47 0.00 0.00 33.84 32.89 2w4d n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69