#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w90 s ARG 4 N 0.00 3.98 0.35 1.45 3.52 -1.26 -4.96 118.95 122.03 1w90 s ARG 4 Ca 0.00 1.93 -0.28 0.00 -0.13 0.00 0.00 55.73 57.25 1w90 s ARG 4 Cb 0.00 -4.01 -0.12 0.00 -1.56 0.00 0.00 34.95 29.26 1w90 s ARG 4 CO 0.00 -1.08 1.43 0.00 -0.81 0.00 0.00 175.30 174.84 1w90 n ALA 5 N 7.85 2.00 -2.57 6.12 0.00 -1.26 -5.00 120.51 127.65 1w90 n ALA 5 Ca 0.18 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.58 1w90 n ALA 5 Cb 0.44 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.43 1w90 n ALA 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1w90 s THR 6 N -0.93 5.20 -0.16 0.00 2.01 -1.26 -4.94 115.64 115.55 1w90 s THR 6 Ca 0.56 0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.60 1w90 s THR 6 Cb -0.52 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1w90 s THR 6 CO 0.61 0.05 0.39 -0.31 -0.69 0.00 0.00 174.62 174.67 1w90 s TYR 7 N 1.97 3.44 -0.33 4.92 1.51 -1.26 -1.99 117.35 125.61 1w90 s TYR 7 Ca 0.11 0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 56.84 1w90 s TYR 7 Cb -0.16 -2.48 0.06 0.00 -0.11 0.00 0.00 41.96 39.27 1w90 s TYR 7 CO 0.11 0.11 0.06 0.99 -1.11 0.00 0.00 175.55 175.72 1w90 s THR 8 N 0.86 3.16 -0.25 -0.71 2.01 0.76 -4.99 115.64 116.49 1w90 s THR 8 Ca 0.20 -1.51 -0.29 0.00 0.31 0.00 0.00 61.69 60.40 1w90 s THR 8 Cb -0.14 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1w90 s THR 8 CO 0.07 -0.25 1.16 -0.69 -0.69 0.00 0.00 174.62 174.22 1w90 s VAL 9 N 1.24 4.43 -0.18 3.82 1.01 -1.26 -0.95 120.40 128.52 1w90 s VAL 9 Ca -0.01 1.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 1w90 s VAL 9 Cb -0.20 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 31.74 1w90 s VAL 9 CO -0.01 -0.29 0.36 0.40 0.00 0.00 0.00 175.10 175.55 1w90 h ILE 10 N 5.62 1.04 -2.53 2.22 2.04 -0.53 -3.48 117.51 121.88 1w90 h ILE 10 Ca -0.23 -2.25 -0.07 0.00 1.00 0.00 0.00 64.86 63.32 1w90 h ILE 10 Cb 1.08 2.48 -0.18 0.00 -0.74 0.00 0.00 36.82 39.46 1w90 h ILE 10 CO 1.00 0.45 0.05 0.72 0.00 0.00 0.00 178.15 180.37 1w90 s PHE 11 N -2.37 -0.47 0.00 1.37 -0.71 -1.11 -4.61 117.98 110.07 1w90 s PHE 11 Ca -0.26 0.68 0.00 0.00 -1.04 0.00 0.00 56.93 56.31 1w90 s PHE 11 Cb 0.04 0.33 0.00 0.00 -1.21 0.00 0.00 43.02 42.19 1w90 s PHE 11 CO 0.64 -0.59 0.00 1.63 -1.34 0.00 0.00 175.22 175.56 1w90 n LYS 12 N 0.72 0.00 -3.09 1.99 5.02 -1.26 -0.85 118.16 120.69 1w90 n LYS 12 Ca -0.19 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.71 1w90 n LYS 12 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.54 1w90 n LYS 12 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1w90 s ASN 13 N -1.00 7.16 -0.12 4.39 0.01 -1.26 -1.91 114.94 122.20 1w90 s ASN 13 Ca 0.00 1.38 -0.02 0.00 -0.71 0.00 0.00 52.86 53.51 1w90 s ASN 13 Cb 0.00 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.21 1w90 s ASN 13 CO 0.00 0.12 -0.06 0.00 -1.51 0.00 0.00 177.10 175.65 1w90 s ALA 14 N -0.49 2.95 -0.29 0.60 0.00 0.65 -4.94 121.76 120.24 1w90 s ALA 14 Ca 0.34 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1w90 s ALA 14 Cb -0.20 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.56 1w90 s ALA 14 CO 0.21 0.36 0.66 -1.13 0.00 0.00 0.00 175.76 175.86 1w90 n SER 15 N 3.01 1.38 -2.83 0.00 3.41 -1.26 -4.13 113.62 113.20 1w90 n SER 15 Ca -0.18 -1.26 0.01 0.00 -0.26 0.00 0.00 58.87 57.19 1w90 n SER 15 Cb 0.53 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.48 1w90 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w90 n GLY 16 N 0.07 0.48 3.68 5.00 0.00 -1.26 -4.86 105.19 108.30 1w90 n GLY 16 Ca 0.02 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.60 1w90 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1w90 n LEU 17 N 0.00 3.32 -4.71 0.99 4.77 -1.26 -4.89 117.00 115.22 1w90 n LEU 17 Ca 0.02 1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 56.76 1w90 n LEU 17 Cb 0.39 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1w90 n LEU 17 CO 0.11 -0.49 0.91 -2.65 -1.33 0.00 0.00 177.39 173.94 1w90 n PRO 18 N 1.29 2.07 -1.62 3.23 -0.02 -1.26 -4.91 135.00 133.79 1w90 n PRO 18 Ca 0.08 0.73 -0.46 0.00 -2.02 0.00 0.00 63.50 61.84 1w90 n PRO 18 Cb 0.34 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 1w90 n PRO 18 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1w90 n ASN 19 N 0.45 1.86 -0.16 2.55 3.02 -1.26 -1.53 115.26 120.19 1w90 n ASN 19 Ca 0.05 1.16 -0.02 0.00 -0.03 0.00 0.00 54.58 55.74 1w90 n ASN 19 Cb 0.38 -1.33 -0.01 0.00 -0.61 0.00 0.00 39.78 38.21 1w90 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w90 n GLY 20 N 1.63 0.45 3.22 7.41 0.00 -1.26 -5.03 105.19 111.60 1w90 n GLY 20 Ca 0.11 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1w90 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w90 s TYR 21 N -1.69 1.57 0.43 1.61 1.51 -0.58 -1.00 117.35 119.20 1w90 s TYR 21 Ca 0.00 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 1w90 s TYR 21 Cb 0.00 -0.91 -0.06 0.00 -0.11 0.00 0.00 41.96 40.89 1w90 s TYR 21 CO 0.00 0.11 0.07 0.34 -1.11 0.00 0.00 175.55 174.96 1w90 s ASP 22 N -1.47 4.09 -0.27 2.29 2.15 -0.35 -4.66 116.67 118.45 1w90 s ASP 22 Ca 0.04 -1.33 -0.02 0.00 0.43 0.00 0.00 52.55 51.67 1w90 s ASP 22 Cb -0.09 -0.24 0.04 0.00 -0.30 0.00 0.00 42.92 42.32 1w90 s ASP 22 CO 0.02 -0.56 -0.03 0.21 -0.17 0.00 0.00 175.17 174.64 1w90 s ASN 23 N -3.81 4.60 -0.20 -0.34 2.47 -1.26 -0.85 114.94 115.55 1w90 s ASN 23 Ca 0.32 -1.04 0.16 0.00 0.42 0.00 0.00 52.86 52.72 1w90 s ASN 23 Cb 0.07 -1.69 0.64 0.00 -1.45 0.00 0.00 41.25 38.81 1w90 s ASN 23 CO 0.17 -0.19 1.54 0.79 -3.72 0.00 0.00 177.10 175.69 1w90 n TRP 24 N 4.66 1.36 -0.77 0.43 7.02 0.23 -4.90 117.44 125.46 1w90 n TRP 24 Ca -0.15 -0.81 0.00 0.00 -1.02 0.00 0.00 57.50 55.52 1w90 n TRP 24 Cb 0.45 -0.38 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 1w90 n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1w90 n GLY 25 N -0.06 -0.49 3.42 6.99 0.00 -1.26 -4.73 105.19 109.07 1w90 n GLY 25 Ca 0.24 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 1w90 n GLY 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1w90 s TRP 26 N -0.16 0.05 -1.46 1.61 -2.14 -0.78 -4.92 118.94 111.14 1w90 s TRP 26 Ca 0.00 -0.40 -0.01 0.00 2.66 0.00 0.00 56.10 58.36 1w90 s TRP 26 Cb 0.00 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.58 1w90 s TRP 26 CO 0.00 -0.81 0.11 0.41 -2.66 0.00 0.00 176.95 174.00 1w90 n GLY 27 N -0.27 -0.35 3.10 3.67 0.00 -1.26 -1.53 105.19 108.55 1w90 n GLY 27 Ca -0.10 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1w90 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w90 s THR 29 N -2.57 3.23 -0.04 0.00 -4.23 -0.52 -4.95 115.64 106.55 1w90 s THR 29 Ca -0.05 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 59.15 1w90 s THR 29 Cb -0.01 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1w90 s THR 29 CO -0.05 0.10 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.24 1w90 s LEU 30 N -2.22 2.82 0.16 4.79 1.02 -1.26 -0.89 118.68 123.10 1w90 s LEU 30 Ca 0.21 -0.18 -0.03 0.00 0.02 0.00 0.00 54.13 54.14 1w90 s LEU 30 Cb -0.11 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 1w90 s LEU 30 CO 0.13 0.34 0.14 -0.94 0.02 0.00 0.00 176.35 176.04 1w90 s SER 31 N -0.84 0.20 -0.07 2.29 1.04 -0.71 -4.99 113.70 110.62 1w90 s SER 31 Ca 0.12 -1.16 -0.01 0.00 0.48 0.00 0.00 55.95 55.38 1w90 s SER 31 Cb -0.11 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.40 1w90 s SER 31 CO 0.01 -0.81 -0.00 -0.31 0.98 0.00 0.00 173.24 173.11 1w90 s TYR 32 N -4.05 0.68 -0.10 5.02 1.51 -1.26 -0.72 117.35 118.43 1w90 s TYR 32 Ca 0.26 -0.18 -0.24 0.00 -1.01 0.00 0.00 57.07 55.90 1w90 s TYR 32 Cb 0.06 -0.79 0.06 0.00 -0.11 0.00 0.00 41.96 41.17 1w90 s TYR 32 CO 0.04 -0.32 0.58 -0.47 -1.11 0.00 0.00 175.55 174.27 1w90 s TYR 33 N 1.88 -0.56 -1.51 2.71 5.04 -1.12 -4.93 117.35 118.86 1w90 s TYR 33 Ca 0.04 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 1w90 s TYR 33 Cb -0.12 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.47 1w90 s TYR 33 CO -0.05 -0.47 0.00 0.41 -1.34 0.00 0.00 175.55 174.10 1w90 n GLY 34 N 1.56 -0.33 3.02 8.97 0.00 -1.26 -0.81 105.19 116.34 1w90 n GLY 34 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1w90 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w90 n GLY 35 N -0.88 1.56 3.85 -0.02 0.00 -1.26 -4.97 105.19 103.47 1w90 n GLY 35 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1w90 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w90 s ALA 36 N -3.68 3.68 -0.27 4.61 0.00 0.01 -0.25 121.76 125.86 1w90 s ALA 36 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 1w90 s ALA 36 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1w90 s ALA 36 CO 0.00 0.51 0.90 1.41 0.00 0.00 0.00 175.76 178.57 1w90 s MET 37 N -1.58 4.11 -0.34 0.00 1.75 -0.27 -2.80 119.30 120.17 1w90 s MET 37 Ca 0.30 0.92 -0.08 0.00 -1.25 0.00 0.00 55.69 55.59 1w90 s MET 37 Cb -0.15 -3.69 0.03 0.00 2.84 0.00 0.00 34.83 33.86 1w90 s MET 37 CO 0.17 -0.66 0.13 0.42 -0.65 0.00 0.00 175.02 174.43 1w90 s ILE 38 N 3.09 4.09 -0.23 10.11 1.01 0.10 -1.21 121.20 138.15 1w90 s ILE 38 Ca 0.38 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 1w90 s ILE 38 Cb -0.14 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1w90 s ILE 38 CO 0.10 -0.14 0.48 -0.63 0.00 0.00 0.00 174.94 174.75 1w90 s ILE 39 N 1.47 5.12 -0.68 2.92 1.01 0.13 -1.73 121.20 129.45 1w90 s ILE 39 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 60.65 61.48 1w90 s ILE 39 Cb -0.19 -3.80 0.17 0.00 0.01 0.00 0.00 42.46 38.65 1w90 s ILE 39 CO 0.04 0.16 0.50 0.21 0.00 0.00 0.00 174.94 175.85 1w90 s ASN 40 N 1.31 5.24 0.53 3.58 3.84 -0.07 -1.63 114.94 127.73 1w90 s ASN 40 Ca 0.21 -3.16 -0.21 0.00 0.21 0.00 0.00 52.86 49.91 1w90 s ASN 40 Cb -0.15 -1.82 -0.05 0.00 -0.55 0.00 0.00 41.25 38.67 1w90 s ASN 40 CO 0.09 -0.29 1.23 -2.84 -2.79 0.00 0.00 177.10 172.51 1w90 s PRO 41 N -0.50 3.31 0.15 0.43 0.02 -1.26 -1.43 135.00 135.71 1w90 s PRO 41 Ca 0.20 1.92 -0.21 0.00 0.02 0.00 0.00 61.00 62.93 1w90 s PRO 41 Cb -0.17 -2.19 -0.07 0.00 0.02 0.00 0.00 34.50 32.08 1w90 s PRO 41 CO -0.06 -0.96 0.67 -0.65 -0.33 0.00 0.00 177.00 175.67 1w90 s GLN 42 N -2.99 4.30 0.28 5.54 -0.21 0.32 -4.50 119.66 122.40 1w90 s GLN 42 Ca 0.71 0.87 -0.30 0.00 0.02 0.00 0.00 55.36 56.66 1w90 s GLN 42 Cb -0.32 -3.12 -0.13 0.00 1.00 0.00 0.00 33.01 30.44 1w90 s GLN 42 CO 0.38 0.54 1.32 -1.91 -2.12 0.00 0.00 175.29 173.49 1w90 n GLU 43 N 1.33 1.97 -0.96 2.91 2.13 -1.26 -2.33 120.64 124.43 1w90 n GLU 43 Ca -0.06 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1w90 n GLU 43 Cb 0.50 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.92 1w90 n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w90 n GLY 44 N 1.55 0.67 0.00 8.31 0.00 0.16 -4.89 105.19 110.98 1w90 n GLY 44 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 1w90 n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w90 n LYS 45 N -2.17 1.60 -4.03 1.61 4.76 -0.98 -4.99 118.16 113.95 1w90 n LYS 45 Ca 0.00 -0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 55.06 1w90 n LYS 45 Cb 0.03 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1w90 n LYS 45 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1w90 n TYR 46 N -1.63 -2.00 -1.44 2.13 4.01 -1.26 -4.86 117.16 112.11 1w90 n TYR 46 Ca -0.00 0.85 -0.42 0.00 -0.16 0.00 0.00 57.90 58.17 1w90 n TYR 46 Cb 0.26 -3.57 0.01 0.00 -0.31 0.00 0.00 39.34 35.73 1w90 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1w90 n GLY 47 N -1.60 -1.63 2.96 2.72 0.00 -1.26 -4.43 105.19 101.95 1w90 n GLY 47 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1w90 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w90 s ALA 48 N -1.48 0.10 -0.19 4.61 0.00 -0.58 -0.05 121.76 124.17 1w90 s ALA 48 Ca 0.63 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 1w90 s ALA 48 Cb -0.62 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1w90 s ALA 48 CO 0.59 -0.13 0.06 0.08 0.00 0.00 0.00 175.76 176.36 1w90 s VAL 49 N -1.15 4.72 -0.36 0.00 1.01 -0.68 -1.86 120.40 122.08 1w90 s VAL 49 Ca -0.13 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1w90 s VAL 49 Cb -0.08 -3.13 0.11 0.00 0.00 0.00 0.00 36.38 33.27 1w90 s VAL 49 CO -0.01 0.45 0.09 -0.55 0.00 0.00 0.00 175.10 175.08 1w90 s SER 50 N 0.51 4.57 -0.29 3.32 0.15 -1.26 -0.67 113.70 120.01 1w90 s SER 50 Ca 0.03 -2.22 -0.29 0.00 0.70 0.00 0.00 55.95 54.17 1w90 s SER 50 Cb -0.13 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1w90 s SER 50 CO 0.01 -0.36 1.24 -0.76 1.20 0.00 0.00 173.24 174.57 1w90 s LEU 51 N 0.83 3.92 -0.32 3.45 1.43 0.53 -0.60 118.68 127.91 1w90 s LEU 51 Ca 0.12 1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 54.34 1w90 s LEU 51 Cb -0.20 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.48 1w90 s LEU 51 CO -0.09 -1.00 0.15 -0.75 0.23 0.00 0.00 176.35 174.89 1w90 s LYS 52 N 3.98 3.25 0.04 1.70 2.47 -0.03 -1.61 119.74 129.54 1w90 s LYS 52 Ca 0.53 -0.78 -0.33 0.00 -1.56 0.00 0.00 55.97 53.84 1w90 s LYS 52 Cb -0.16 -3.57 -0.12 0.00 -1.46 0.00 0.00 37.83 32.52 1w90 s LYS 52 CO 0.20 -0.45 1.79 0.54 0.16 0.00 0.00 175.35 177.59 1w90 n ARG 53 N 4.97 2.36 -0.27 4.03 1.74 0.08 -1.22 116.66 128.37 1w90 n ARG 53 Ca -0.14 0.86 0.13 0.00 -0.77 0.00 0.00 57.85 57.94 1w90 n ARG 53 Cb 0.49 -2.70 0.40 0.00 -1.02 0.00 0.00 32.46 29.62 1w90 n ARG 53 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1w90 h ASN 54 N 8.20 0.61 -3.80 0.55 -0.26 -1.41 -3.44 115.58 116.04 1w90 h ASN 54 Ca -0.47 0.04 -0.17 0.00 -0.56 0.00 0.00 56.30 55.15 1w90 h ASN 54 Cb 1.25 -0.07 -0.26 0.00 -1.06 0.00 0.00 38.32 38.18 1w90 h ASN 54 CO 0.93 0.29 -0.43 -0.55 -1.06 0.00 0.00 177.43 176.61 1w90 s SER 55 N -5.73 -0.26 0.07 5.81 0.15 -1.26 -5.13 113.70 107.35 1w90 s SER 55 Ca -0.10 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1w90 s SER 55 Cb 0.22 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1w90 s SER 55 CO 0.79 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.75 1w90 n GLY 56 N 3.01 -2.13 3.15 9.45 0.00 -1.26 -5.04 105.19 112.36 1w90 n GLY 56 Ca -0.13 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1w90 n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1w90 s SER 57 N -3.12 -0.09 0.61 1.61 0.01 -1.26 -4.66 113.70 106.81 1w90 s SER 57 Ca 0.00 -0.00 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 1w90 s SER 57 Cb 0.00 0.28 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1w90 s SER 57 CO 0.00 -0.34 0.91 -0.36 0.41 0.00 0.00 173.24 173.85 1w90 s PHE 58 N -1.11 3.10 -0.10 2.43 0.08 -0.05 -4.87 117.98 117.47 1w90 s PHE 58 Ca -0.12 0.48 -0.06 0.00 0.12 0.00 0.00 56.93 57.35 1w90 s PHE 58 Cb -0.06 -2.85 0.04 0.00 -0.57 0.00 0.00 43.02 39.58 1w90 s PHE 58 CO 0.02 -0.98 0.25 0.50 -0.10 0.00 0.00 175.22 174.91 1w90 s ARG 59 N -5.01 0.23 2.80 0.44 3.52 -1.26 -0.90 118.95 118.76 1w90 s ARG 59 Ca 0.56 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.64 1w90 s ARG 59 Cb -0.11 -0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 1w90 s ARG 59 CO 0.44 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.20 1w90 n GLY 60 N 3.93 2.08 7.00 8.12 0.00 -1.26 -4.84 105.19 120.22 1w90 n GLY 60 Ca -0.22 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1w90 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w90 n GLY 61 N 0.00 2.86 3.31 -0.02 0.00 -1.24 -4.61 105.19 105.49 1w90 n GLY 61 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 1w90 n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w90 s SER 62 N -4.00 -0.29 -0.13 1.61 1.04 -0.19 0.53 113.70 112.27 1w90 s SER 62 Ca 0.00 0.14 -0.00 0.00 0.48 0.00 0.00 55.95 56.57 1w90 s SER 62 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1w90 s SER 62 CO 0.00 -0.55 -0.13 -0.76 0.98 0.00 0.00 173.24 172.78 1w90 s LEU 63 N -1.57 2.72 -0.05 2.42 1.43 -0.01 -0.23 118.68 123.40 1w90 s LEU 63 Ca -0.10 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1w90 s LEU 63 Cb -0.03 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1w90 s LEU 63 CO 0.03 0.17 -0.24 -0.60 0.23 0.00 0.00 176.35 175.94 1w90 s ARG 64 N 0.34 2.42 -0.07 1.70 3.00 0.95 -1.17 118.95 126.12 1w90 s ARG 64 Ca -0.11 -0.88 -0.29 0.00 -1.00 0.00 0.00 55.73 53.45 1w90 s ARG 64 Cb -0.16 -2.16 0.11 0.00 0.00 0.00 0.00 34.95 32.74 1w90 s ARG 64 CO 0.06 0.47 0.89 -0.59 0.00 0.00 0.00 175.30 176.13 1w90 s PHE 65 N -0.37 -0.41 -0.02 5.12 -0.71 -0.78 -0.46 117.98 120.35 1w90 s PHE 65 Ca 0.03 0.54 -0.05 0.00 -1.04 0.00 0.00 56.93 56.41 1w90 s PHE 65 Cb -0.12 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 1w90 s PHE 65 CO 0.02 -0.48 0.20 -0.51 -1.34 0.00 0.00 175.22 173.11 1w90 s ASP 66 N -1.69 6.41 -0.23 1.98 1.01 -0.22 -0.78 116.67 123.15 1w90 s ASP 66 Ca -0.01 0.43 -0.18 0.00 0.71 0.00 0.00 52.55 53.51 1w90 s ASP 66 Cb -0.01 -2.04 0.06 0.00 1.01 0.00 0.00 42.92 41.95 1w90 s ASP 66 CO -0.02 0.29 0.60 -0.32 0.21 0.00 0.00 175.17 175.93 1w90 s MET 67 N -1.72 0.66 0.19 8.23 1.75 -0.46 -2.16 119.30 125.79 1w90 s MET 67 Ca 0.25 0.92 0.08 0.00 -1.25 0.00 0.00 55.69 55.69 1w90 s MET 67 Cb -0.13 0.24 -0.05 0.00 2.84 0.00 0.00 34.83 37.74 1w90 s MET 67 CO 0.15 -0.11 -0.15 -1.59 -0.65 0.00 0.00 175.02 172.67 1w90 s LYS 68 N 0.78 1.30 -0.29 4.11 -2.85 -1.01 -1.10 119.74 120.68 1w90 s LYS 68 Ca -0.04 -1.54 -0.23 0.00 -1.00 0.00 0.00 55.97 53.16 1w90 s LYS 68 Cb -0.05 -1.13 0.16 0.00 -2.06 0.00 0.00 37.83 34.75 1w90 s LYS 68 CO -0.06 0.19 1.20 0.54 0.10 0.00 0.00 175.35 177.32 1w90 s ASN 69 N -3.17 -0.28 0.16 0.03 4.22 -0.59 -0.59 114.94 114.73 1w90 s ASN 69 Ca 0.21 0.51 0.25 0.00 -2.14 0.00 0.00 52.86 51.69 1w90 s ASN 69 Cb -0.02 0.65 0.59 0.00 1.28 0.00 0.00 41.25 43.75 1w90 s ASN 69 CO 0.06 -0.09 1.56 -0.62 -2.04 0.00 0.00 177.10 175.97 1w90 n GLU 70 N 2.25 0.27 -4.23 3.55 1.02 -0.87 -1.13 120.64 121.50 1w90 n GLU 70 Ca -0.13 0.15 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 1w90 n GLU 70 Cb 0.56 -1.74 -0.08 0.00 -0.02 0.00 0.00 31.44 30.17 1w90 n GLU 70 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1w90 s GLY 71 N -3.59 2.06 0.33 0.62 0.00 -1.26 -4.86 107.32 100.62 1w90 s GLY 71 Ca 0.09 -1.92 -0.28 0.00 0.00 0.00 0.00 44.72 42.60 1w90 s GLY 71 CO 0.66 -1.37 1.28 0.54 0.00 0.00 0.00 173.10 174.21 1w90 s LYS 72 N -3.45 4.35 -0.10 2.90 1.02 -1.26 -4.14 119.74 119.06 1w90 s LYS 72 Ca 0.38 2.15 0.03 0.00 0.02 0.00 0.00 55.97 58.56 1w90 s LYS 72 Cb 0.02 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 1w90 s LYS 72 CO 0.24 -0.17 -0.19 0.08 -0.92 0.00 0.00 175.35 174.40 1w90 s VAL 73 N -1.16 1.69 -0.22 3.17 1.01 0.07 -3.03 120.40 121.94 1w90 s VAL 73 Ca 0.49 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 1w90 s VAL 73 Cb -0.38 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1w90 s VAL 73 CO 0.51 0.48 0.47 -0.75 0.00 0.00 0.00 175.10 175.80 1w90 s LYS 74 N 0.67 4.15 -0.19 2.72 2.20 0.09 -0.04 119.74 129.34 1w90 s LYS 74 Ca -0.13 0.30 -0.15 0.00 -0.36 0.00 0.00 55.97 55.63 1w90 s LYS 74 Cb -0.16 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1w90 s LYS 74 CO 0.03 -0.16 0.34 0.42 -0.36 0.00 0.00 175.35 175.62 1w90 s ILE 75 N 1.68 5.26 0.13 5.43 -1.09 0.67 -0.25 121.20 133.02 1w90 s ILE 75 Ca 0.21 0.60 0.04 0.00 -2.23 0.00 0.00 60.65 59.27 1w90 s ILE 75 Cb -0.15 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1w90 s ILE 75 CO 0.09 0.32 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.26 1w90 s LEU 76 N 0.94 2.49 0.18 2.97 1.02 -0.15 -0.46 118.68 125.67 1w90 s LEU 76 Ca 0.17 -0.95 0.11 0.00 0.02 0.00 0.00 54.13 53.48 1w90 s LEU 76 Cb -0.14 -0.30 -0.04 0.00 0.02 0.00 0.00 46.19 45.73 1w90 s LEU 76 CO 0.06 -0.33 -0.23 0.68 0.02 0.00 0.00 176.35 176.55 1w90 s VAL 77 N -3.10 2.23 -0.01 -1.59 -7.23 -0.46 -0.41 120.40 109.83 1w90 s VAL 77 Ca 0.13 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1w90 s VAL 77 Cb 0.01 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1w90 s VAL 77 CO -0.00 -0.14 0.12 -1.61 -0.31 0.00 0.00 175.10 173.15 1w90 s GLU 78 N -2.65 0.39 -0.30 4.82 2.02 -0.51 0.10 118.70 122.57 1w90 s GLU 78 Ca 0.19 -0.29 -0.08 0.00 0.02 0.00 0.00 54.97 54.81 1w90 s GLU 78 Cb -0.08 0.16 -0.00 0.00 0.10 0.00 0.00 34.13 34.31 1w90 s GLU 78 CO 0.09 -0.08 0.11 1.21 0.02 0.00 0.00 175.26 176.61 1w90 s ASN 79 N -1.06 5.31 0.13 -0.19 3.84 -0.39 -1.17 114.94 121.40 1w90 s ASN 79 Ca -0.12 -0.60 -0.14 0.00 0.21 0.00 0.00 52.86 52.21 1w90 s ASN 79 Cb -0.06 -1.94 -0.00 0.00 -0.55 0.00 0.00 41.25 38.70 1w90 s ASN 79 CO 0.01 -0.18 1.61 0.28 -2.79 0.00 0.00 177.10 176.02 1w90 h SER 80 N 8.29 0.70 -0.22 -4.21 0.02 -1.91 -2.45 113.55 113.77 1w90 h SER 80 Ca -0.32 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.30 1w90 h SER 80 Cb 1.14 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1w90 h SER 80 CO 0.61 0.80 -0.07 -0.33 -1.14 0.00 0.00 176.83 176.70 1w90 h GLU 81 N 0.58 0.44 0.00 3.45 4.39 -1.97 -3.00 114.58 118.47 1w90 h GLU 81 Ca 0.13 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1w90 h GLU 81 Cb 0.40 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1w90 h GLU 81 CO 0.01 0.69 0.00 0.00 -1.16 0.00 0.00 179.01 178.55 1w90 n ALA 82 N -2.38 2.62 -3.91 3.43 0.00 -1.23 -4.92 120.51 114.12 1w90 n ALA 82 Ca -0.04 -0.18 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 1w90 n ALA 82 Cb 0.30 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.30 1w90 n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1w90 n ASP 83 N -0.98 -4.66 -3.89 0.00 2.03 -1.03 -5.00 116.55 103.03 1w90 n ASP 83 Ca 0.22 -1.15 -0.19 0.00 0.52 0.00 0.00 54.79 54.19 1w90 n ASP 83 Cb 0.10 -2.20 -0.16 0.00 -0.72 0.00 0.00 41.12 38.14 1w90 n ASP 83 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1w90 s GLU 84 N -6.60 0.67 0.17 -0.67 2.56 -0.95 -5.02 118.70 108.86 1w90 s GLU 84 Ca 0.41 -0.08 0.06 0.00 0.00 0.00 0.00 54.97 55.36 1w90 s GLU 84 Cb -0.20 -0.71 -0.04 0.00 2.00 0.00 0.00 34.13 35.18 1w90 s GLU 84 CO 0.93 -0.06 0.08 0.15 -0.56 0.00 0.00 175.26 175.79 1w90 s LYS 85 N 0.78 2.68 -0.05 4.30 1.02 -1.26 -1.27 119.74 125.94 1w90 s LYS 85 Ca -0.10 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 54.89 1w90 s LYS 85 Cb -0.13 -2.51 0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1w90 s LYS 85 CO -0.00 0.47 0.06 0.12 -0.92 0.00 0.00 175.35 175.08 1w90 s PHE 86 N -1.76 0.07 -0.33 3.18 5.36 0.12 -4.97 117.98 119.65 1w90 s PHE 86 Ca 0.29 0.22 -0.29 0.00 -0.96 0.00 0.00 56.93 56.20 1w90 s PHE 86 Cb -0.10 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.09 1w90 s PHE 86 CO 0.21 -0.21 1.35 -2.00 -1.46 0.00 0.00 175.22 173.11 1w90 s GLU 87 N 2.17 3.79 -0.04 10.12 2.12 -1.26 -1.35 118.70 134.25 1w90 s GLU 87 Ca 0.05 1.16 -0.21 0.00 0.36 0.00 0.00 54.97 56.33 1w90 s GLU 87 Cb -0.12 -3.94 -0.32 0.00 0.26 0.00 0.00 34.13 30.01 1w90 s GLU 87 CO -0.03 -1.28 0.91 0.28 -0.54 0.00 0.00 175.26 174.59 1w90 h VAL 88 N 6.14 1.47 -1.34 3.70 2.07 -1.11 -3.49 116.25 123.68 1w90 h VAL 88 Ca -0.27 -2.57 0.21 0.00 0.82 0.00 0.00 66.70 64.89 1w90 h VAL 88 Cb 1.10 3.17 -0.23 0.00 -1.52 0.00 0.00 31.29 33.81 1w90 h VAL 88 CO 1.05 0.73 0.80 -0.70 0.02 0.00 0.00 177.57 179.47 1w90 s GLU 89 N -2.46 0.28 -0.19 1.57 2.56 -1.15 -5.01 118.70 114.31 1w90 s GLU 89 Ca -0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.97 54.82 1w90 s GLU 89 Cb 0.01 0.13 -0.00 0.00 2.00 0.00 0.00 34.13 36.27 1w90 s GLU 89 CO 0.85 -0.10 -0.11 0.99 -0.56 0.00 0.00 175.26 176.33 1w90 s THR 90 N -1.57 2.93 -0.24 -1.70 2.01 -1.26 -0.24 115.64 115.57 1w90 s THR 90 Ca 0.06 -0.66 -0.09 0.00 0.31 0.00 0.00 61.69 61.32 1w90 s THR 90 Cb -0.01 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1w90 s THR 90 CO -0.04 0.48 0.11 -0.63 -0.69 0.00 0.00 174.62 173.84 1w90 s ILE 91 N 1.14 4.79 0.71 1.82 1.01 0.95 -4.90 121.20 126.72 1w90 s ILE 91 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.49 1w90 s ILE 91 Cb -0.14 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.12 1w90 s ILE 91 CO -0.03 0.35 1.23 -0.44 0.00 0.00 0.00 174.94 176.05 1w90 s SER 92 N 1.26 4.27 0.52 3.58 0.01 -1.26 -0.75 113.70 121.33 1w90 s SER 92 Ca 0.06 2.44 -0.23 0.00 1.31 0.00 0.00 55.95 59.53 1w90 s SER 92 Cb -0.14 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.43 1w90 s SER 92 CO 0.05 -2.22 1.37 -2.84 0.41 0.00 0.00 173.24 170.01 1w90 s PRO 93 N -3.75 3.28 -0.13 12.44 0.02 -1.26 -4.87 135.00 140.73 1w90 s PRO 93 Ca 0.77 2.28 -0.10 0.00 0.02 0.00 0.00 61.00 63.97 1w90 s PRO 93 Cb -0.32 -2.36 0.04 0.00 0.02 0.00 0.00 34.50 31.88 1w90 s PRO 93 CO 0.44 -1.09 0.33 0.45 -0.33 0.00 0.00 177.00 176.80 1w90 s SER 94 N -0.84 -0.36 0.31 2.53 0.15 -0.28 -4.99 113.70 110.21 1w90 s SER 94 Ca 0.69 0.68 0.15 0.00 0.70 0.00 0.00 55.95 58.16 1w90 s SER 94 Cb -0.41 0.65 0.42 0.00 -1.71 0.00 0.00 66.02 64.96 1w90 s SER 94 CO 0.50 -0.13 1.61 0.44 1.20 0.00 0.00 173.24 176.86 1w90 h ASP 95 N 6.11 0.00 -3.31 5.45 5.19 -1.96 -1.56 116.42 126.34 1w90 h ASP 95 Ca -0.30 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.46 1w90 h ASP 95 Cb 1.18 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.53 1w90 h ASP 95 CO 0.31 0.52 -0.76 -1.61 -3.12 0.00 0.00 179.24 174.58 1w90 s GLU 96 N -3.43 1.90 0.23 3.56 0.41 -1.26 -4.87 118.70 115.24 1w90 s GLU 96 Ca 0.00 -1.25 -0.32 0.00 -0.41 0.00 0.00 54.97 52.99 1w90 s GLU 96 Cb 0.11 -2.11 -0.12 0.00 -1.78 0.00 0.00 34.13 30.22 1w90 s GLU 96 CO 0.73 0.45 1.68 0.66 -0.49 0.00 0.00 175.26 178.29 1w90 n TYR 97 N 0.37 2.76 -5.02 1.61 4.01 -1.26 -4.46 117.16 115.17 1w90 n TYR 97 Ca -0.13 0.11 -0.27 0.00 -0.16 0.00 0.00 57.90 57.45 1w90 n TYR 97 Cb 0.54 -2.65 -0.16 0.00 -0.31 0.00 0.00 39.34 36.77 1w90 n TYR 97 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1w90 s VAL 98 N 0.83 1.64 -0.16 -0.72 1.01 -0.26 -4.89 120.40 117.86 1w90 s VAL 98 Ca 0.72 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 1w90 s VAL 98 Cb -0.51 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1w90 s VAL 98 CO 0.37 0.46 0.70 -0.89 0.00 0.00 0.00 175.10 175.75 1w90 s THR 99 N -0.46 4.99 0.00 3.92 2.01 -1.26 -1.36 115.64 123.48 1w90 s THR 99 Ca 0.07 1.37 0.04 0.00 0.31 0.00 0.00 61.69 63.49 1w90 s THR 99 Cb -0.08 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 1w90 s THR 99 CO -0.01 0.12 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.64 1w90 s TYR 100 N 1.70 2.80 -0.14 4.92 1.51 0.04 -4.99 117.35 123.20 1w90 s TYR 100 Ca 0.34 -0.09 -0.02 0.00 -1.01 0.00 0.00 57.07 56.28 1w90 s TYR 100 Cb -0.16 -1.59 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1w90 s TYR 100 CO 0.13 0.33 0.02 0.42 -1.11 0.00 0.00 175.55 175.33 1w90 s ILE 101 N -0.94 0.48 -0.07 2.71 1.01 -1.26 -1.86 121.20 121.26 1w90 s ILE 101 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1w90 s ILE 101 Cb -0.11 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.57 1w90 s ILE 101 CO 0.06 0.02 -0.06 -0.76 0.00 0.00 0.00 174.94 174.20 1w90 s LEU 102 N 1.90 1.19 0.37 2.97 1.43 -0.32 -4.87 118.68 121.36 1w90 s LEU 102 Ca 0.02 -0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 52.64 1w90 s LEU 102 Cb -0.15 -0.63 -0.11 0.00 0.03 0.00 0.00 46.19 45.33 1w90 s LEU 102 CO -0.07 -0.08 1.48 0.47 0.23 0.00 0.00 176.35 178.37 1w90 n ASP 103 N 4.48 3.72 -4.29 2.29 8.00 -1.26 -0.83 116.55 128.66 1w90 n ASP 103 Ca -0.17 1.22 -0.38 0.00 0.71 0.00 0.00 54.79 56.17 1w90 n ASP 103 Cb 0.51 -1.61 -0.12 0.00 -0.02 0.00 0.00 41.12 39.87 1w90 n ASP 103 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1w90 s VAL 104 N -1.08 3.90 -2.66 2.53 1.01 0.19 -4.89 120.40 119.39 1w90 s VAL 104 Ca 0.54 -1.10 0.26 0.00 0.00 0.00 0.00 61.98 61.68 1w90 s VAL 104 Cb -0.48 -3.21 0.42 0.00 0.00 0.00 0.00 36.38 33.11 1w90 s VAL 104 CO 0.63 -0.19 1.57 0.47 0.00 0.00 0.00 175.10 177.58 1w90 n ASP 105 N 4.84 2.04 -4.66 3.32 8.00 -1.26 -4.12 116.55 124.71 1w90 n ASP 105 Ca -0.12 -1.68 -0.44 0.00 0.71 0.00 0.00 54.79 53.26 1w90 n ASP 105 Cb 0.45 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.52 1w90 n ASP 105 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1w90 n PHE 106 N 0.60 1.94 0.33 1.24 7.35 -1.26 -4.92 117.46 122.74 1w90 n PHE 106 Ca 0.17 0.56 0.10 0.00 -0.76 0.00 0.00 57.45 57.52 1w90 n PHE 106 Cb 0.44 -2.38 0.26 0.00 0.35 0.00 0.00 39.48 38.15 1w90 n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1w90 n ASP 107 N 1.37 2.99 -4.44 -2.13 5.75 -1.26 -4.54 116.55 114.30 1w90 n ASP 107 Ca 0.09 -1.96 -0.25 0.00 -0.01 0.00 0.00 54.79 52.65 1w90 n ASP 107 Cb 0.33 -0.32 -0.11 0.00 -1.03 0.00 0.00 41.12 39.99 1w90 n ASP 107 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1w90 s LEU 108 N -1.17 2.50 0.80 -2.12 1.43 -1.26 -5.07 118.68 113.79 1w90 s LEU 108 Ca 0.38 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 1w90 s LEU 108 Cb 0.20 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 45.34 1w90 s LEU 108 CO 0.27 0.08 0.87 -2.65 0.23 0.00 0.00 176.35 175.15 1w90 n PRO 109 N -0.11 0.17 -4.46 1.29 -0.02 -1.26 -4.63 135.00 125.98 1w90 n PRO 109 Ca -0.09 0.12 -0.20 0.00 -2.02 0.00 0.00 63.50 61.30 1w90 n PRO 109 Cb 0.58 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.75 1w90 n PRO 109 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1w90 s PHE 110 N -2.08 1.01 -1.41 6.00 -0.71 -0.07 -4.31 117.98 116.41 1w90 s PHE 110 Ca 0.69 -0.23 0.12 0.00 -1.04 0.00 0.00 56.93 56.47 1w90 s PHE 110 Cb -0.30 -0.68 0.15 0.00 -1.21 0.00 0.00 43.02 40.97 1w90 s PHE 110 CO 0.55 -0.06 0.96 -0.40 -1.34 0.00 0.00 175.22 174.93 1w90 n ASP 111 N 3.05 2.22 -3.91 1.98 5.75 -0.32 -0.87 116.55 124.45 1w90 n ASP 111 Ca -0.16 -1.61 -0.16 0.00 -0.01 0.00 0.00 54.79 52.86 1w90 n ASP 111 Cb 0.55 -0.05 -0.15 0.00 -1.03 0.00 0.00 41.12 40.44 1w90 n ASP 111 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1w90 s ARG 112 N -1.01 0.37 -0.15 0.11 0.52 -0.92 -0.74 118.95 117.14 1w90 s ARG 112 Ca 0.16 -0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 1w90 s ARG 112 Cb 0.11 -0.39 0.02 0.00 0.52 0.00 0.00 34.95 35.20 1w90 s ARG 112 CO 0.16 0.03 -0.16 0.42 0.02 0.00 0.00 175.30 175.77 1w90 s ILE 113 N 0.20 1.67 0.07 1.52 1.01 -0.63 -1.43 121.20 123.61 1w90 s ILE 113 Ca -0.02 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.01 1w90 s ILE 113 Cb -0.05 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1w90 s ILE 113 CO -0.00 0.48 -0.23 0.00 0.00 0.00 0.00 174.94 175.18 1w90 s ALA 114 N 1.31 2.42 -0.16 9.38 0.00 0.45 -0.35 121.76 134.82 1w90 s ALA 114 Ca 0.02 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1w90 s ALA 114 Cb -0.13 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1w90 s ALA 114 CO -0.09 0.55 -0.15 -0.06 0.00 0.00 0.00 175.76 176.01 1w90 s PHE 115 N -0.92 2.31 0.01 0.00 0.40 0.15 -0.98 117.98 118.95 1w90 s PHE 115 Ca 0.14 -1.32 0.08 0.00 -0.60 0.00 0.00 56.93 55.23 1w90 s PHE 115 Cb -0.10 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 1w90 s PHE 115 CO 0.04 -0.70 -0.26 -1.14 0.70 0.00 0.00 175.22 173.87 1w90 s GLN 116 N 1.44 1.98 -1.23 0.44 0.74 0.65 -1.69 119.66 122.00 1w90 s GLN 116 Ca 0.05 -1.01 -0.20 0.00 0.05 0.00 0.00 55.36 54.25 1w90 s GLN 116 Cb -0.13 -2.03 -0.02 0.00 1.10 0.00 0.00 33.01 31.93 1w90 s GLN 116 CO -0.11 0.54 1.86 -3.47 -0.55 0.00 0.00 175.29 173.56 1w90 n ASP 117 N 2.10 3.88 -0.19 6.67 2.03 0.93 -0.73 116.55 131.24 1w90 n ASP 117 Ca -0.16 -2.80 -0.03 0.00 0.52 0.00 0.00 54.79 52.32 1w90 n ASP 117 Cb 0.51 -1.72 0.03 0.00 -0.72 0.00 0.00 41.12 39.23 1w90 n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1w90 h ALA 118 N 8.60 0.18 0.00 -1.67 0.00 -1.84 -1.15 119.26 123.38 1w90 h ALA 118 Ca 0.34 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1w90 h ALA 118 Cb 0.89 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1w90 h ALA 118 CO 1.38 -0.55 0.00 -2.30 0.00 0.00 0.00 179.25 177.77 1w90 n PRO 119 N -5.43 0.22 -1.78 0.00 -0.02 -1.26 -4.91 135.00 121.82 1w90 n PRO 119 Ca 0.06 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1w90 n PRO 119 Cb 0.34 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1w90 n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w90 n GLY 120 N 0.24 0.82 0.88 -1.23 0.00 -0.44 -4.87 105.19 100.60 1w90 n GLY 120 Ca 0.03 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1w90 n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1w90 n ASN 121 N -0.62 2.84 0.00 1.61 3.02 -1.26 0.36 115.26 121.20 1w90 n ASN 121 Ca -0.16 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 1w90 n ASN 121 Cb 0.55 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1w90 n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w90 n GLY 122 N 1.36 0.80 3.67 7.41 0.00 -1.26 -4.58 105.19 112.59 1w90 n GLY 122 Ca 0.13 -0.19 -0.47 0.00 0.00 0.00 0.00 46.02 45.50 1w90 n GLY 122 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w90 n ASP 123 N 0.34 3.26 -4.73 1.61 8.00 -1.26 -4.29 116.55 119.48 1w90 n ASP 123 Ca 0.00 1.04 -0.34 0.00 0.71 0.00 0.00 54.79 56.20 1w90 n ASP 123 Cb 0.00 -1.42 0.08 0.00 -0.02 0.00 0.00 41.12 39.77 1w90 n ASP 123 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1w90 s ARG 124 N 2.05 2.26 -0.02 -1.24 0.52 -1.26 -4.48 118.95 116.77 1w90 s ARG 124 Ca 0.83 1.69 0.00 0.00 -0.52 0.00 0.00 55.73 57.73 1w90 s ARG 124 Cb -0.67 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 32.96 1w90 s ARG 124 CO 0.42 -1.73 0.01 0.42 0.02 0.00 0.00 175.30 174.45 1w90 s ILE 125 N -2.06 0.04 -0.11 1.52 1.01 -0.65 -2.05 121.20 118.89 1w90 s ILE 125 Ca 0.73 0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.53 1w90 s ILE 125 Cb -0.27 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.07 1w90 s ILE 125 CO 0.45 0.09 -0.22 0.26 0.00 0.00 0.00 174.94 175.51 1w90 s TRP 126 N 0.80 2.61 -0.02 3.97 0.51 0.24 0.21 118.94 127.27 1w90 s TRP 126 Ca -0.07 -1.06 0.03 0.00 -2.12 0.00 0.00 56.10 52.88 1w90 s TRP 126 Cb -0.10 -1.75 -0.00 0.00 -0.81 0.00 0.00 33.47 30.81 1w90 s TRP 126 CO -0.02 -0.44 -0.11 0.42 -0.51 0.00 0.00 176.95 176.29 1w90 s ILE 127 N 0.44 0.91 0.09 2.03 1.01 -0.35 -2.40 121.20 122.92 1w90 s ILE 127 Ca -0.16 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 1w90 s ILE 127 Cb -0.17 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1w90 s ILE 127 CO 0.07 0.27 0.12 -0.54 0.00 0.00 0.00 174.94 174.85 1w90 s LYS 128 N -0.08 0.80 -1.15 2.79 1.02 -0.92 -1.11 119.74 121.09 1w90 s LYS 128 Ca 0.01 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 54.81 1w90 s LYS 128 Cb -0.06 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.51 1w90 s LYS 128 CO 0.00 -0.23 0.83 0.09 -0.92 0.00 0.00 175.35 175.12 1w90 n ASN 129 N -0.02 -4.63 -4.63 2.83 3.02 -0.81 -1.06 115.26 109.96 1w90 n ASN 129 Ca -0.13 -0.84 -0.40 0.00 -0.03 0.00 0.00 54.58 53.17 1w90 n ASN 129 Cb 0.62 -4.28 -0.07 0.00 -0.61 0.00 0.00 39.78 35.44 1w90 n ASN 129 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1w90 s LEU 130 N -6.13 4.08 0.01 3.41 2.96 -0.03 -3.52 118.68 119.47 1w90 s LEU 130 Ca 0.33 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 1w90 s LEU 130 Cb -0.08 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 1w90 s LEU 130 CO 0.80 -0.30 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.79 1w90 s VAL 131 N 2.22 0.39 -0.08 1.68 1.01 0.39 0.30 120.40 126.31 1w90 s VAL 131 Ca 0.24 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1w90 s VAL 131 Cb -0.16 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1w90 s VAL 131 CO 0.09 -0.08 -0.03 -2.28 0.00 0.00 0.00 175.10 172.80 1w90 s HIS 132 N -0.57 3.07 0.05 5.22 2.46 -0.12 -0.04 115.29 125.36 1w90 s HIS 132 Ca -0.03 0.12 0.09 0.00 0.47 0.00 0.00 55.06 55.70 1w90 s HIS 132 Cb -0.05 -1.76 -0.03 0.00 -0.13 0.00 0.00 32.58 30.61 1w90 s HIS 132 CO -0.00 0.40 -0.24 0.45 -2.47 0.00 0.00 174.74 172.88 1w90 s SER 133 N -0.82 2.92 0.20 9.88 0.15 0.68 -0.17 113.70 126.54 1w90 s SER 133 Ca 0.12 -0.59 0.25 0.00 0.70 0.00 0.00 55.95 56.44 1w90 s SER 133 Cb -0.11 -0.25 0.90 0.00 -1.71 0.00 0.00 66.02 64.85 1w90 s SER 133 CO 0.02 0.21 1.75 0.35 1.20 0.00 0.00 173.24 176.77 1w90 n THR 134 N 1.69 0.65 -3.12 6.45 -2.24 -0.84 -1.02 114.28 115.85 1w90 n THR 134 Ca -0.17 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1w90 n THR 134 Cb 0.53 -0.80 0.02 0.00 -2.10 0.00 0.00 70.33 67.98 1w90 n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w90 n GLY 135 N 0.80 2.11 3.93 3.38 0.00 -1.26 -3.73 105.19 110.43 1w90 n GLY 135 Ca 0.04 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 1w90 n GLY 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w90 s SER 136 N -2.32 4.93 0.17 1.61 1.04 -1.26 -2.65 113.70 115.21 1w90 s SER 136 Ca 0.21 0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.99 1w90 s SER 136 Cb -0.02 -1.17 0.08 0.00 0.10 0.00 0.00 66.02 65.01 1w90 s SER 136 CO 0.13 -1.52 1.74 0.00 0.98 0.00 0.00 173.24 174.57 1w90 h ALA 137 N -0.53 0.78 -0.18 5.32 0.00 -1.88 -2.59 119.26 120.18 1w90 h ALA 137 Ca -0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1w90 h ALA 137 Cb 1.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1w90 h ALA 137 CO 0.60 0.38 -0.04 -0.44 0.00 0.00 0.00 179.25 179.75 1w90 h ASP 138 N 0.83 0.25 -0.33 0.00 3.32 -1.94 -2.79 116.42 115.76 1w90 h ASP 138 Ca 0.20 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1w90 h ASP 138 Cb 0.18 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1w90 h ASP 138 CO -0.02 0.33 0.00 0.47 -1.72 0.00 0.00 179.24 178.30 1w90 n ASP 139 N -4.34 2.22 -4.66 6.45 8.00 -1.07 -4.93 116.55 118.21 1w90 n ASP 139 Ca -0.00 -1.89 -0.43 0.00 0.71 0.00 0.00 54.79 53.18 1w90 n ASP 139 Cb 0.21 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 1w90 n ASP 139 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1w90 s PHE 140 N -1.57 2.83 -0.40 1.24 2.19 -1.00 -4.85 117.98 116.43 1w90 s PHE 140 Ca 0.32 0.99 -0.07 0.00 0.33 0.00 0.00 56.93 58.49 1w90 s PHE 140 Cb 0.17 -3.51 0.08 0.00 -1.31 0.00 0.00 43.02 38.44 1w90 s PHE 140 CO 0.24 -1.75 0.21 0.08 1.83 0.00 0.00 175.22 175.82 1w90 s VAL 141 N 3.49 3.88 -0.21 3.12 1.01 -1.26 -5.05 120.40 125.37 1w90 s VAL 141 Ca 0.55 -1.50 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1w90 s VAL 141 Cb -0.22 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1w90 s VAL 141 CO 0.15 -0.47 2.02 -0.62 0.00 0.00 0.00 175.10 176.18 1w90 s ASP 142 N 1.91 5.81 0.54 3.32 2.15 -1.26 -4.87 116.67 124.26 1w90 s ASP 142 Ca 0.03 1.84 0.32 0.00 0.43 0.00 0.00 52.55 55.17 1w90 s ASP 142 Cb -0.22 -2.52 1.33 0.00 -0.30 0.00 0.00 42.92 41.21 1w90 s ASP 142 CO 0.01 -1.69 1.97 1.55 -0.17 0.00 0.00 175.17 176.84 1w90 h PRO 143 N 13.41 0.00 0.37 4.34 0.13 -1.99 -2.67 132.00 145.58 1w90 h PRO 143 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1w90 h PRO 143 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1w90 h PRO 143 CO 0.98 0.04 -0.18 0.82 -0.23 0.00 0.00 178.00 179.43 1w90 h ILE 144 N 0.00 0.51 0.00 -3.56 2.04 -1.99 -2.56 117.51 111.94 1w90 h ILE 144 Ca -0.00 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1w90 h ILE 144 Cb 0.53 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1w90 h ILE 144 CO 0.00 0.10 -0.13 0.78 0.00 0.00 0.00 178.15 178.90 1w90 h ASN 145 N -0.91 0.00 0.29 1.72 2.35 -1.98 -2.69 115.58 114.37 1w90 h ASN 145 Ca -0.05 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.55 1w90 h ASN 145 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1w90 h ASN 145 CO 0.08 0.13 -0.61 0.25 -1.65 0.00 0.00 177.43 175.64 1w90 h LEU 146 N 0.00 0.35 -0.02 1.61 5.85 -1.51 -3.03 115.31 118.56 1w90 h LEU 146 Ca -0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1w90 h LEU 146 Cb 0.40 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1w90 h LEU 146 CO 0.02 0.88 -0.02 1.21 -0.34 0.00 0.00 178.44 180.18 1w90 n GLU 147 N -3.88 0.34 0.07 1.25 2.13 -0.97 -2.40 120.64 117.18 1w90 n GLU 147 Ca -0.03 -0.02 -0.19 0.00 0.66 0.00 0.00 57.16 57.59 1w90 n GLU 147 Cb 0.62 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.69 1w90 n GLU 147 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1w90 h HIS 148 N 0.05 0.55 -0.46 4.31 3.86 -1.50 -3.40 115.15 118.56 1w90 h HIS 148 Ca 0.00 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1w90 h HIS 148 Cb 0.35 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1w90 h HIS 148 CO 0.00 1.46 0.00 -2.39 0.86 0.00 0.00 177.93 177.86 1w90 n HIS 149 N -3.50 0.61 -0.14 2.45 1.44 -1.16 -4.63 115.22 110.29 1w90 n HIS 149 Ca -0.18 -0.42 0.12 0.00 -2.01 0.00 0.00 57.72 55.23 1w90 n HIS 149 Cb 1.05 -0.01 0.47 0.00 0.12 0.00 0.00 29.99 31.62 1w90 n HIS 149 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 1w90 h HIS 150 N 3.20 0.54 0.00 -1.40 -0.00 -1.66 -1.83 115.15 114.00 1w90 h HIS 150 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 1w90 h HIS 150 Cb 0.84 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1w90 h HIS 150 CO 0.30 0.24 -0.11 1.12 -0.00 0.00 0.00 177.93 179.49 1w90 h HIS 151 N 0.49 0.00 0.00 6.12 2.07 -1.90 -3.37 115.15 118.57 1w90 h HIS 151 Ca 0.33 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.72 1w90 h HIS 151 Cb 0.62 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.58 1w90 h HIS 151 CO -0.00 0.11 -1.34 1.58 -3.07 0.00 0.00 177.93 175.20 1w90 n HIS 152 N -3.31 0.15 -1.67 6.12 -0.00 -0.71 -5.27 115.22 110.53 1w90 n HIS 152 Ca -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1w90 n HIS 152 Cb 0.32 -0.68 0.00 0.00 -0.00 0.00 0.00 29.99 29.63 1w90 n HIS 152 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95