#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bq5 n SER 2 N 0.00 0.00 0.02 0.00 2.88 -1.26 -5.11 113.62 110.15 2bq5 n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2bq5 n SER 2 Cb 0.00 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.03 2bq5 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2bq5 n ASN 3 N 0.00 0.12 -3.93 -3.46 2.04 -1.26 -4.76 115.26 104.02 2bq5 n ASN 3 Ca 0.00 0.51 -0.38 0.00 -0.44 0.00 0.00 54.58 54.27 2bq5 n ASN 3 Cb 0.00 -0.55 -0.06 0.00 -2.53 0.00 0.00 39.78 36.64 2bq5 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2bq5 n PHE 4 N -1.62 1.99 -4.47 -2.53 7.35 -1.26 -4.85 117.46 112.09 2bq5 n PHE 4 Ca 0.06 -1.58 -0.22 0.00 -0.76 0.00 0.00 57.45 54.95 2bq5 n PHE 4 Cb 0.34 -1.94 -0.11 0.00 0.35 0.00 0.00 39.48 38.12 2bq5 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2bq5 s THR 5 N 7.23 1.50 0.61 -2.13 -4.23 -1.26 -4.87 115.64 112.48 2bq5 s THR 5 Ca 0.62 -2.05 -0.17 0.00 -1.18 0.00 0.00 61.69 58.91 2bq5 s THR 5 Cb 0.09 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2bq5 s THR 5 CO 0.14 -0.12 1.13 -1.58 -0.54 0.00 0.00 174.62 173.65 2bq5 s GLN 6 N -3.80 3.00 0.32 3.99 0.74 -1.26 -4.70 119.66 117.95 2bq5 s GLN 6 Ca 0.33 1.53 -0.17 0.00 0.05 0.00 0.00 55.36 57.10 2bq5 s GLN 6 Cb 0.07 -1.96 0.03 0.00 1.10 0.00 0.00 33.01 32.24 2bq5 s GLN 6 CO 0.14 -1.12 0.71 -0.59 -0.55 0.00 0.00 175.29 173.88 2bq5 s PHE 7 N -2.03 0.03 -0.25 1.67 -0.71 -0.75 -5.02 117.98 110.92 2bq5 s PHE 7 Ca 0.70 -0.55 -0.16 0.00 -1.04 0.00 0.00 56.93 55.89 2bq5 s PHE 7 Cb -0.23 0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 2bq5 s PHE 7 CO 0.35 -1.32 0.43 0.08 -1.34 0.00 0.00 175.22 173.42 2bq5 s VAL 8 N -3.34 5.15 -0.17 -2.49 1.01 -1.26 -1.59 120.40 117.70 2bq5 s VAL 8 Ca 0.15 0.71 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 2bq5 s VAL 8 Cb -0.05 -3.75 -0.22 0.00 0.00 0.00 0.00 36.38 32.36 2bq5 s VAL 8 CO 0.09 0.16 0.32 0.25 0.00 0.00 0.00 175.10 175.92 2bq5 h LEU 9 N 8.40 0.13 -8.12 3.92 5.85 -1.60 -3.45 115.31 120.44 2bq5 h LEU 9 Ca -0.32 -0.67 -0.67 0.00 0.84 0.00 0.00 57.88 57.07 2bq5 h LEU 9 Cb 1.16 -0.04 -0.33 0.00 0.37 0.00 0.00 40.66 41.81 2bq5 h LEU 9 CO 0.69 1.55 -0.82 -0.69 -0.34 0.00 0.00 178.44 178.83 2bq5 s VAL 10 N -2.41 2.40 -0.26 1.05 1.01 -1.09 -4.99 120.40 116.10 2bq5 s VAL 10 Ca -0.26 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.74 2bq5 s VAL 10 Cb 0.05 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2bq5 s VAL 10 CO 0.65 0.45 0.07 -0.62 0.00 0.00 0.00 175.10 175.65 2bq5 s ASP 11 N 1.32 5.09 -0.37 3.32 2.15 -1.26 -0.26 116.67 126.65 2bq5 s ASP 11 Ca 0.04 -0.31 0.05 0.00 0.43 0.00 0.00 52.55 52.76 2bq5 s ASP 11 Cb -0.14 -1.91 0.45 0.00 -0.30 0.00 0.00 42.92 41.02 2bq5 s ASP 11 CO -0.10 -0.07 1.29 0.59 -0.17 0.00 0.00 175.17 176.71 2bq5 n ASN 12 N 4.91 5.25 0.00 -0.34 3.02 -1.26 -4.91 115.26 121.93 2bq5 n ASN 12 Ca -0.16 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.64 2bq5 n ASN 12 Cb 0.51 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2bq5 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bq5 n GLY 13 N -0.68 0.51 0.00 7.41 0.00 -1.26 -3.31 105.19 107.85 2bq5 n GLY 13 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2bq5 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bq5 n GLY 14 N -1.96 2.79 3.33 -0.02 0.00 -1.26 -5.02 105.19 103.05 2bq5 n GLY 14 Ca 0.00 -0.95 -0.46 0.00 0.00 0.00 0.00 46.02 44.61 2bq5 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bq5 s THR 15 N -0.36 5.21 0.00 2.61 2.01 -1.21 -3.90 115.64 120.00 2bq5 s THR 15 Ca 0.00 -1.64 0.00 0.00 0.31 0.00 0.00 61.69 60.36 2bq5 s THR 15 Cb 0.00 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 68.09 2bq5 s THR 15 CO 0.00 -0.99 0.00 0.61 -0.69 0.00 0.00 174.62 173.55 2bq5 n GLY 16 N 4.95 1.11 3.75 4.40 0.00 -1.26 -4.74 105.19 113.39 2bq5 n GLY 16 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2bq5 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bq5 s ASP 17 N -1.71 5.25 -0.32 1.61 1.01 -1.25 -4.61 116.67 116.65 2bq5 s ASP 17 Ca 0.00 2.79 -0.08 0.00 0.71 0.00 0.00 52.55 55.97 2bq5 s ASP 17 Cb 0.00 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.31 2bq5 s ASP 17 CO 0.00 -1.59 0.11 -0.69 0.21 0.00 0.00 175.17 173.21 2bq5 s VAL 18 N -1.29 4.11 -0.11 -1.27 1.01 0.64 -4.98 120.40 118.50 2bq5 s VAL 18 Ca 0.72 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 2bq5 s VAL 18 Cb -0.41 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2bq5 s VAL 18 CO 0.48 -0.01 0.06 -0.89 0.00 0.00 0.00 175.10 174.74 2bq5 s THR 19 N 1.51 4.77 -0.06 3.92 2.01 -1.26 -1.42 115.64 125.11 2bq5 s THR 19 Ca 0.02 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.00 2bq5 s THR 19 Cb -0.18 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2bq5 s THR 19 CO 0.04 0.58 -0.21 0.54 -0.69 0.00 0.00 174.62 174.88 2bq5 s VAL 20 N -0.70 2.42 0.21 3.82 0.11 -0.62 -4.37 120.40 121.27 2bq5 s VAL 20 Ca 0.12 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 58.30 2bq5 s VAL 20 Cb -0.12 -1.91 -0.05 0.00 -1.53 0.00 0.00 36.38 32.77 2bq5 s VAL 20 CO 0.02 0.57 -0.13 0.00 -3.33 0.00 0.00 175.10 172.23 2bq5 s ALA 21 N -0.27 2.01 0.02 1.54 0.00 -0.66 -1.81 121.76 122.59 2bq5 s ALA 21 Ca 0.00 -1.67 -0.34 0.00 0.00 0.00 0.00 51.96 49.95 2bq5 s ALA 21 Cb -0.13 -0.05 -0.13 0.00 0.00 0.00 0.00 23.12 22.82 2bq5 s ALA 21 CO 0.03 0.04 1.73 -2.30 0.00 0.00 0.00 175.76 175.25 2bq5 n PRO 22 N -0.39 2.11 0.00 0.00 -0.02 -1.26 -1.08 135.00 134.36 2bq5 n PRO 22 Ca -0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2bq5 n PRO 22 Cb 0.61 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2bq5 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bq5 n SER 23 N 5.04 2.11 -3.60 2.55 3.41 0.77 -4.86 113.62 119.04 2bq5 n SER 23 Ca 0.20 -0.18 -0.07 0.00 -0.26 0.00 0.00 58.87 58.56 2bq5 n SER 23 Cb 0.28 0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 64.97 2bq5 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2bq5 s ASN 24 N -1.21 -0.24 -0.00 4.04 3.84 -1.17 -5.00 114.94 115.21 2bq5 s ASN 24 Ca 0.00 0.27 0.19 0.00 0.21 0.00 0.00 52.86 53.53 2bq5 s ASN 24 Cb 0.00 0.21 0.32 0.00 -0.55 0.00 0.00 41.25 41.23 2bq5 s ASN 24 CO 0.00 -0.22 1.13 0.33 -2.79 0.00 0.00 177.10 175.55 2bq5 n PHE 25 N 0.68 0.00 -2.26 0.43 7.35 -1.26 -1.22 117.46 121.18 2bq5 n PHE 25 Ca -0.06 -0.38 -0.41 0.00 -0.76 0.00 0.00 57.45 55.84 2bq5 n PHE 25 Cb 0.58 -0.13 -0.03 0.00 0.35 0.00 0.00 39.48 40.26 2bq5 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bq5 s ALA 26 N -0.02 3.49 -0.20 3.13 0.00 -1.26 -3.05 121.76 123.85 2bq5 s ALA 26 Ca 0.25 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2bq5 s ALA 26 Cb 0.29 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2bq5 s ALA 26 CO -0.13 -0.47 0.00 0.09 0.00 0.00 0.00 175.76 175.25 2bq5 n ASN 27 N 1.88 -4.35 0.00 0.00 3.02 -1.26 -2.66 115.26 111.89 2bq5 n ASN 27 Ca 0.03 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2bq5 n ASN 27 Cb 0.43 -2.02 0.00 0.00 -0.61 0.00 0.00 39.78 37.59 2bq5 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bq5 n GLY 28 N -1.27 2.35 3.65 7.41 0.00 -1.17 -5.00 105.19 111.16 2bq5 n GLY 28 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2bq5 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bq5 s VAL 29 N -2.29 4.69 0.05 1.61 1.01 -1.09 -4.85 120.40 119.53 2bq5 s VAL 29 Ca 0.00 1.84 -0.28 0.00 0.00 0.00 0.00 61.98 63.54 2bq5 s VAL 29 Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 2bq5 s VAL 29 CO 0.00 -0.21 0.87 0.00 0.00 0.00 0.00 175.10 175.76 2bq5 s ALA 30 N 3.19 3.28 -0.02 5.51 0.00 -0.98 -3.99 121.76 128.75 2bq5 s ALA 30 Ca 0.42 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.85 2bq5 s ALA 30 Cb -0.15 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2bq5 s ALA 30 CO 0.08 -0.04 -0.17 -2.00 0.00 0.00 0.00 175.76 173.63 2bq5 s GLU 31 N 0.26 1.44 -0.00 0.00 2.12 -0.36 -1.72 118.70 120.43 2bq5 s GLU 31 Ca 0.44 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 55.21 2bq5 s GLU 31 Cb -0.21 -1.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.80 2bq5 s GLU 31 CO 0.26 0.35 -0.15 -1.58 -0.54 0.00 0.00 175.26 173.60 2bq5 s TRP 32 N -0.33 1.31 0.07 5.30 0.51 0.86 -0.16 118.94 126.49 2bq5 s TRP 32 Ca 0.05 -0.26 -0.07 0.00 -2.12 0.00 0.00 56.10 53.70 2bq5 s TRP 32 Cb -0.07 -0.84 -0.01 0.00 -0.81 0.00 0.00 33.47 31.74 2bq5 s TRP 32 CO -0.00 -0.01 0.14 0.96 -0.51 0.00 0.00 176.95 177.52 2bq5 s ILE 33 N -0.41 0.15 0.65 2.03 -4.36 -0.24 -0.87 121.20 118.14 2bq5 s ILE 33 Ca 0.05 -1.24 -0.05 0.00 -0.26 0.00 0.00 60.65 59.15 2bq5 s ILE 33 Cb -0.06 -1.24 0.04 0.00 1.25 0.00 0.00 42.46 42.45 2bq5 s ILE 33 CO -0.00 -0.69 0.94 -0.94 0.24 0.00 0.00 174.94 174.49 2bq5 s SER 34 N -2.65 5.08 -1.30 4.36 1.04 -0.55 -1.66 113.70 118.04 2bq5 s SER 34 Ca 0.02 0.42 -0.17 0.00 0.48 0.00 0.00 55.95 56.70 2bq5 s SER 34 Cb 0.04 -1.20 0.08 0.00 0.10 0.00 0.00 66.02 65.04 2bq5 s SER 34 CO -0.09 -1.38 1.73 -0.24 0.98 0.00 0.00 173.24 174.23 2bq5 n SER 35 N -2.73 4.93 -2.95 7.02 2.88 -1.26 -4.69 113.62 116.82 2bq5 n SER 35 Ca 0.07 -2.92 -0.15 0.00 -1.33 0.00 0.00 58.87 54.53 2bq5 n SER 35 Cb 0.60 -1.72 -0.04 0.00 -0.75 0.00 0.00 64.21 62.29 2bq5 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2bq5 n ASN 36 N 7.97 -1.11 -4.78 -3.46 3.02 -1.26 -5.05 115.26 110.59 2bq5 n ASN 36 Ca 0.48 -2.88 -0.37 0.00 -0.03 0.00 0.00 54.58 51.78 2bq5 n ASN 36 Cb 0.45 2.17 -0.02 0.00 -0.61 0.00 0.00 39.78 41.76 2bq5 n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2bq5 s SER 37 N -3.10 6.45 0.59 6.41 1.04 -1.26 -4.74 113.70 119.09 2bq5 s SER 37 Ca 0.30 2.17 0.28 0.00 0.48 0.00 0.00 55.95 59.19 2bq5 s SER 37 Cb -0.00 -2.59 1.62 0.00 0.10 0.00 0.00 66.02 65.14 2bq5 s SER 37 CO 0.22 -0.71 2.07 0.03 0.98 0.00 0.00 173.24 175.82 2bq5 h ARG 38 N 2.26 0.00 0.00 4.02 3.08 -1.97 0.15 114.38 121.92 2bq5 h ARG 38 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2bq5 h ARG 38 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2bq5 h ARG 38 CO 0.61 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.17 2bq5 h SER 39 N 0.00 0.00 0.00 7.04 4.64 -1.97 -3.22 113.55 120.03 2bq5 h SER 39 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2bq5 h SER 39 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2bq5 h SER 39 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2bq5 n GLN 40 N -2.69 -0.23 -1.38 4.77 6.02 0.36 -5.01 117.38 119.22 2bq5 n GLN 40 Ca 0.01 -0.37 -0.29 0.00 -0.01 0.00 0.00 57.00 56.35 2bq5 n GLN 40 Cb 0.28 -0.86 0.17 0.00 1.02 0.00 0.00 30.24 30.85 2bq5 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bq5 s ALA 41 N -0.07 1.36 -0.19 -1.58 0.00 -0.35 -4.65 121.76 116.28 2bq5 s ALA 41 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 2bq5 s ALA 41 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 2bq5 s ALA 41 CO 0.00 -2.66 0.13 0.71 0.00 0.00 0.00 175.76 173.94 2bq5 s TYR 42 N -3.18 3.43 0.07 0.00 1.51 -1.26 -4.35 117.35 113.56 2bq5 s TYR 42 Ca 0.66 0.34 0.07 0.00 -1.01 0.00 0.00 57.07 57.14 2bq5 s TYR 42 Cb -0.15 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 2bq5 s TYR 42 CO 0.55 0.34 -0.20 0.21 -1.11 0.00 0.00 175.55 175.34 2bq5 s LYS 43 N 0.18 1.21 -0.06 -0.62 2.20 -0.91 -1.48 119.74 120.27 2bq5 s LYS 43 Ca 0.09 -1.02 -0.02 0.00 -0.36 0.00 0.00 55.97 54.65 2bq5 s LYS 43 Cb -0.11 -1.38 0.04 0.00 -1.51 0.00 0.00 37.83 34.87 2bq5 s LYS 43 CO -0.01 0.34 0.13 0.08 -0.36 0.00 0.00 175.35 175.53 2bq5 s VAL 44 N -0.98 -0.06 0.10 4.02 1.01 -0.05 -0.86 120.40 123.57 2bq5 s VAL 44 Ca 0.06 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.28 2bq5 s VAL 44 Cb -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2bq5 s VAL 44 CO 0.03 0.08 -0.10 0.42 0.00 0.00 0.00 175.10 175.53 2bq5 s THR 45 N 1.24 0.96 -0.12 3.92 -4.23 -0.41 -0.10 115.64 116.89 2bq5 s THR 45 Ca -0.08 -1.62 -0.26 0.00 -1.18 0.00 0.00 61.69 58.54 2bq5 s THR 45 Cb -0.12 -1.35 0.06 0.00 1.34 0.00 0.00 72.50 72.44 2bq5 s THR 45 CO -0.06 -0.54 0.63 0.00 -0.54 0.00 0.00 174.62 174.12 2bq5 s SER 47 N -0.60 -0.51 -0.02 0.00 1.04 -0.89 -2.31 113.70 110.40 2bq5 s SER 47 Ca -0.07 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2bq5 s SER 47 Cb -0.02 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2bq5 s SER 47 CO 0.06 -0.96 0.03 -0.69 0.98 0.00 0.00 173.24 172.66 2bq5 s VAL 48 N -3.76 -0.03 0.16 5.02 1.01 -1.26 -1.39 120.40 120.14 2bq5 s VAL 48 Ca 0.01 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 2bq5 s VAL 48 Cb -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 2bq5 s VAL 48 CO -0.13 0.10 0.08 0.00 0.00 0.00 0.00 175.10 175.15 2bq5 s ARG 49 N 1.08 1.04 -0.59 2.72 1.70 -1.07 -4.98 118.95 118.86 2bq5 s ARG 49 Ca -0.09 -1.52 -0.20 0.00 -0.47 0.00 0.00 55.73 53.45 2bq5 s ARG 49 Cb -0.13 0.22 0.09 0.00 -0.57 0.00 0.00 34.95 34.56 2bq5 s ARG 49 CO -0.03 -0.30 0.74 -1.14 -1.08 0.00 0.00 175.30 173.49 2bq5 s GLN 50 N -4.08 3.07 0.34 3.89 0.74 -1.26 -0.39 119.66 121.97 2bq5 s GLN 50 Ca 0.30 -1.15 0.08 0.00 0.05 0.00 0.00 55.36 54.64 2bq5 s GLN 50 Cb 0.07 -4.23 0.77 0.00 1.10 0.00 0.00 33.01 30.72 2bq5 s GLN 50 CO 0.06 -1.54 1.86 0.66 -0.55 0.00 0.00 175.29 175.78 2bq5 h SER 51 N 9.23 0.71 -1.74 6.67 4.64 -1.76 -3.46 113.55 127.84 2bq5 h SER 51 Ca -0.29 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 2bq5 h SER 51 Cb 1.08 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2bq5 h SER 51 CO 1.09 0.36 0.03 -1.54 -0.87 0.00 0.00 176.83 175.90 2bq5 n SER 52 N -4.58 -0.46 0.23 4.97 3.41 -1.13 -5.01 113.62 111.06 2bq5 n SER 52 Ca 0.18 -1.41 0.07 0.00 -0.26 0.00 0.00 58.87 57.45 2bq5 n SER 52 Cb 0.45 0.79 0.57 0.00 -0.26 0.00 0.00 64.21 65.76 2bq5 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bq5 h ALA 53 N 1.83 1.59 0.00 7.33 0.00 -2.04 -3.23 119.26 124.74 2bq5 h ALA 53 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2bq5 h ALA 53 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bq5 h ALA 53 CO 0.10 0.21 -1.68 0.94 0.00 0.00 0.00 179.25 178.82 2bq5 n GLN 54 N -4.14 0.48 -4.43 0.00 -0.06 -1.26 -4.90 117.38 103.07 2bq5 n GLN 54 Ca -0.02 -0.14 -0.22 0.00 -2.00 0.00 0.00 57.00 54.62 2bq5 n GLN 54 Cb 0.24 -1.36 -0.10 0.00 -4.06 0.00 0.00 30.24 24.96 2bq5 n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2bq5 s ASN 55 N -3.73 3.07 0.39 1.69 0.01 -1.22 0.89 114.94 116.04 2bq5 s ASN 55 Ca -0.05 -1.08 0.08 0.00 -0.71 0.00 0.00 52.86 51.09 2bq5 s ASN 55 Cb 0.10 -0.22 -0.06 0.00 0.41 0.00 0.00 41.25 41.48 2bq5 s ASN 55 CO 0.63 -0.15 0.09 -0.13 -1.51 0.00 0.00 177.10 176.03 2bq5 s ARG 56 N -3.62 2.13 -0.16 -0.60 0.52 0.06 -2.69 118.95 114.59 2bq5 s ARG 56 Ca 0.28 -1.86 -0.09 0.00 -0.52 0.00 0.00 55.73 53.54 2bq5 s ARG 56 Cb -0.01 -1.90 0.06 0.00 0.52 0.00 0.00 34.95 33.62 2bq5 s ARG 56 CO 0.12 -0.02 0.38 0.21 0.02 0.00 0.00 175.30 176.00 2bq5 s LYS 57 N -3.81 0.36 -0.08 3.54 2.20 0.48 -1.45 119.74 120.98 2bq5 s LYS 57 Ca 0.38 0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 56.61 2bq5 s LYS 57 Cb 0.04 -0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.27 2bq5 s LYS 57 CO 0.21 -0.16 0.27 0.71 -0.36 0.00 0.00 175.35 176.02 2bq5 s TYR 58 N 1.36 3.63 -0.26 4.03 1.51 0.12 -2.58 117.35 125.15 2bq5 s TYR 58 Ca -0.09 0.72 0.02 0.00 -1.01 0.00 0.00 57.07 56.71 2bq5 s TYR 58 Cb -0.09 -2.14 0.07 0.00 -0.11 0.00 0.00 41.96 39.69 2bq5 s TYR 58 CO -0.12 0.62 -0.06 0.99 -1.11 0.00 0.00 175.55 175.88 2bq5 s THR 59 N -0.82 1.85 -0.08 -0.71 2.01 -0.49 -1.35 115.64 116.04 2bq5 s THR 59 Ca 0.19 -1.52 0.03 0.00 0.31 0.00 0.00 61.69 60.69 2bq5 s THR 59 Cb -0.14 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 2bq5 s THR 59 CO 0.08 -0.15 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.06 2bq5 s ILE 60 N 1.23 2.78 0.03 1.82 1.01 -0.42 -2.10 121.20 125.55 2bq5 s ILE 60 Ca -0.05 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2bq5 s ILE 60 Cb -0.19 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 2bq5 s ILE 60 CO -0.07 0.56 -0.13 -0.54 0.00 0.00 0.00 174.94 174.77 2bq5 s LYS 61 N -0.17 0.89 -0.01 2.79 1.02 -0.42 0.12 119.74 123.96 2bq5 s LYS 61 Ca -0.01 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 2bq5 s LYS 61 Cb -0.13 -0.88 0.01 0.00 -0.52 0.00 0.00 37.83 36.31 2bq5 s LYS 61 CO 0.03 0.22 0.03 0.08 -0.92 0.00 0.00 175.35 174.80 2bq5 s VAL 62 N -0.73 -0.01 -0.14 3.17 1.01 -0.59 -1.29 120.40 121.83 2bq5 s VAL 62 Ca 0.02 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2bq5 s VAL 62 Cb -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.26 2bq5 s VAL 62 CO 0.01 0.02 -0.20 -1.61 0.00 0.00 0.00 175.10 173.31 2bq5 s GLU 63 N 0.23 3.10 -0.15 2.72 2.02 -0.04 -0.18 118.70 126.39 2bq5 s GLU 63 Ca -0.02 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.16 2bq5 s GLU 63 Cb -0.03 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.75 2bq5 s GLU 63 CO -0.01 0.03 -0.17 0.08 0.02 0.00 0.00 175.26 175.21 2bq5 s VAL 64 N 0.72 1.80 0.57 2.63 1.01 -0.76 -2.14 120.40 124.24 2bq5 s VAL 64 Ca -0.09 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 2bq5 s VAL 64 Cb -0.16 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2bq5 s VAL 64 CO 0.01 0.50 1.11 -2.16 0.00 0.00 0.00 175.10 174.55 2bq5 s PRO 65 N 1.25 3.25 -0.07 2.72 0.04 -1.26 -1.11 135.00 139.82 2bq5 s PRO 65 Ca 0.01 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 2bq5 s PRO 65 Cb -0.14 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2bq5 s PRO 65 CO -0.09 -0.91 0.80 0.21 0.04 0.00 0.00 177.00 177.06 2bq5 s LYS 66 N -3.56 4.45 -0.19 4.56 2.20 -0.02 -4.89 119.74 122.29 2bq5 s LYS 66 Ca 0.70 1.06 0.06 0.00 -0.36 0.00 0.00 55.97 57.43 2bq5 s LYS 66 Cb -0.22 -3.47 -0.16 0.00 -1.51 0.00 0.00 37.83 32.47 2bq5 s LYS 66 CO 0.31 -0.04 -0.09 0.28 -0.36 0.00 0.00 175.35 175.44 2bq5 n VAL 67 N 3.99 1.16 -1.56 4.02 0.31 -1.26 -4.63 118.33 120.36 2bq5 n VAL 67 Ca 0.02 -0.54 -0.47 0.00 -0.01 0.00 0.00 64.34 63.33 2bq5 n VAL 67 Cb 0.51 -0.98 -0.05 0.00 -0.91 0.00 0.00 33.84 32.41 2bq5 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bq5 n ALA 68 N -2.91 1.29 -0.88 3.52 0.00 -1.26 0.22 120.51 120.48 2bq5 n ALA 68 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2bq5 n ALA 68 Cb 0.94 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2bq5 n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bq5 n THR 69 N 6.91 0.00 -1.41 0.00 -2.24 -1.26 -5.02 114.28 111.26 2bq5 n THR 69 Ca 0.33 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.74 2bq5 n THR 69 Cb 0.32 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.62 2bq5 n THR 69 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2bq5 n GLN 70 N -2.11 0.53 -3.81 -0.78 7.27 0.13 -4.96 117.38 113.66 2bq5 n GLN 70 Ca 0.00 0.23 -0.28 0.00 0.07 0.00 0.00 57.00 57.02 2bq5 n GLN 70 Cb 0.00 -2.03 -0.12 0.00 2.41 0.00 0.00 30.24 30.50 2bq5 n GLN 70 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2bq5 s THR 71 N -1.76 2.43 -0.26 1.69 2.01 -1.26 -5.07 115.64 113.41 2bq5 s THR 71 Ca 0.71 -3.95 -0.23 0.00 0.31 0.00 0.00 61.69 58.53 2bq5 s THR 71 Cb -0.37 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.43 2bq5 s THR 71 CO 0.52 -1.04 0.99 0.52 -0.69 0.00 0.00 174.62 174.92 2bq5 n VAL 72 N 2.18 0.00 0.00 3.82 0.31 -1.26 -0.36 118.33 123.02 2bq5 n VAL 72 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 2bq5 n VAL 72 Cb 0.37 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 2bq5 n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bq5 n GLY 73 N 3.13 2.79 3.81 2.92 0.00 -1.26 -5.04 105.19 111.54 2bq5 n GLY 73 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2bq5 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bq5 s GLY 74 N -2.07 1.61 -0.54 -0.02 0.00 0.52 -5.01 107.32 101.82 2bq5 s GLY 74 Ca 0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 44.72 43.83 2bq5 s GLY 74 CO 0.00 -0.07 0.74 0.14 0.00 0.00 0.00 173.10 173.90 2bq5 s VAL 75 N -3.39 4.71 -0.37 1.40 1.01 -1.26 -4.99 120.40 117.51 2bq5 s VAL 75 Ca 0.66 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 2bq5 s VAL 75 Cb -0.12 -4.40 0.03 0.00 0.00 0.00 0.00 36.38 31.89 2bq5 s VAL 75 CO 0.53 -0.96 0.19 -1.61 0.00 0.00 0.00 175.10 173.25 2bq5 s GLU 76 N 3.07 2.77 0.13 2.72 2.02 -1.26 -5.08 118.70 123.06 2bq5 s GLU 76 Ca 0.19 -1.11 0.10 0.00 0.02 0.00 0.00 54.97 54.18 2bq5 s GLU 76 Cb -0.18 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.34 2bq5 s GLU 76 CO 0.13 -0.70 -0.25 -0.51 0.02 0.00 0.00 175.26 173.95 2bq5 s LEU 77 N 1.52 2.32 0.44 1.80 2.01 -1.26 -4.11 118.68 121.40 2bq5 s LEU 77 Ca 0.01 -0.74 -0.21 0.00 0.01 0.00 0.00 54.13 53.20 2bq5 s LEU 77 Cb -0.19 -1.12 -0.09 0.00 0.01 0.00 0.00 46.19 44.79 2bq5 s LEU 77 CO 0.06 0.14 1.01 -2.16 1.01 0.00 0.00 176.35 176.41 2bq5 s PRO 78 N -2.05 4.04 0.36 1.29 0.04 -1.26 -5.03 135.00 132.39 2bq5 s PRO 78 Ca 0.12 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.52 2bq5 s PRO 78 Cb -0.10 -2.24 0.71 0.00 0.04 0.00 0.00 34.50 32.92 2bq5 s PRO 78 CO 0.06 -0.22 1.99 0.28 0.04 0.00 0.00 177.00 179.15 2bq5 h VAL 79 N 1.84 1.09 0.00 -0.36 2.07 -2.01 -1.84 116.25 117.05 2bq5 h VAL 79 Ca -0.49 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2bq5 h VAL 79 Cb 1.21 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2bq5 h VAL 79 CO 0.61 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.34 2bq5 n ALA 80 N -2.45 1.86 0.04 1.67 0.00 -1.26 -1.66 120.51 118.71 2bq5 n ALA 80 Ca 0.08 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.56 2bq5 n ALA 80 Cb 0.13 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.25 2bq5 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bq5 n ALA 81 N -1.22 2.68 -0.04 0.00 0.00 -0.69 -4.37 120.51 116.87 2bq5 n ALA 81 Ca 0.08 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.16 2bq5 n ALA 81 Cb 0.10 -0.89 0.12 0.00 0.00 0.00 0.00 19.45 18.78 2bq5 n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2bq5 n TRP 82 N -2.44 0.33 -4.00 0.00 7.02 -0.66 -4.91 117.44 112.78 2bq5 n TRP 82 Ca -0.03 -0.39 -0.12 0.00 -1.02 0.00 0.00 57.50 55.94 2bq5 n TRP 82 Cb 0.57 -0.02 -0.13 0.00 -2.42 0.00 0.00 31.31 29.31 2bq5 n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2bq5 s ARG 83 N -0.97 0.28 0.06 -0.99 0.52 -1.11 -0.84 118.95 115.91 2bq5 s ARG 83 Ca 0.19 -0.35 0.06 0.00 -0.52 0.00 0.00 55.73 55.11 2bq5 s ARG 83 Cb 0.10 -0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.43 2bq5 s ARG 83 CO 0.14 0.02 -0.11 -1.12 0.02 0.00 0.00 175.30 174.25 2bq5 s SER 84 N -0.72 4.32 -0.05 0.23 0.01 -0.27 -4.89 113.70 112.33 2bq5 s SER 84 Ca -0.06 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.90 2bq5 s SER 84 Cb -0.05 -0.85 0.01 0.00 0.21 0.00 0.00 66.02 65.34 2bq5 s SER 84 CO -0.00 0.22 -0.13 -0.31 0.41 0.00 0.00 173.24 173.43 2bq5 s TYR 85 N -1.09 1.42 -0.08 2.43 1.51 -1.26 -1.82 117.35 118.45 2bq5 s TYR 85 Ca 0.19 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2bq5 s TYR 85 Cb -0.11 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.70 2bq5 s TYR 85 CO 0.10 -0.23 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.02 2bq5 s LEU 86 N 0.48 2.84 -0.13 -1.29 2.96 0.74 -5.00 118.68 119.28 2bq5 s LEU 86 Ca -0.11 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2bq5 s LEU 86 Cb -0.14 -1.61 0.05 0.00 0.50 0.00 0.00 46.19 44.99 2bq5 s LEU 86 CO 0.03 0.28 0.06 0.00 -1.32 0.00 0.00 176.35 175.41 2bq5 s ALA 87 N -0.36 0.49 -0.04 5.97 0.00 -1.26 -1.54 121.76 125.02 2bq5 s ALA 87 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.83 2bq5 s ALA 87 Cb -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2bq5 s ALA 87 CO 0.02 -0.90 -0.13 -1.64 0.00 0.00 0.00 175.76 173.11 2bq5 s MET 88 N 2.09 2.50 -0.21 0.00 -1.94 0.12 -5.01 119.30 116.85 2bq5 s MET 88 Ca 0.03 -0.70 -0.03 0.00 -1.71 0.00 0.00 55.69 53.28 2bq5 s MET 88 Cb -0.15 -2.41 0.06 0.00 2.01 0.00 0.00 34.83 34.35 2bq5 s MET 88 CO -0.07 0.62 0.04 0.15 -0.01 0.00 0.00 175.02 175.75 2bq5 s LYS 89 N -0.89 0.68 -0.34 2.03 1.02 -1.26 -1.30 119.74 119.68 2bq5 s LYS 89 Ca 0.13 -0.51 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 2bq5 s LYS 89 Cb -0.11 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 2bq5 s LYS 89 CO 0.02 -0.68 0.19 -1.17 -0.92 0.00 0.00 175.35 172.79 2bq5 s LEU 90 N 1.83 4.46 -0.21 3.17 2.96 -0.46 -4.94 118.68 125.47 2bq5 s LEU 90 Ca 0.00 -0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 53.11 2bq5 s LEU 90 Cb -0.17 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 2bq5 s LEU 90 CO -0.10 -0.29 0.13 -0.89 -1.32 0.00 0.00 176.35 173.87 2bq5 s THR 91 N 1.61 5.23 -0.08 3.68 2.01 -1.26 0.12 115.64 126.94 2bq5 s THR 91 Ca 0.04 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 2bq5 s THR 91 Cb -0.18 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 68.96 2bq5 s THR 91 CO 0.07 0.40 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.76 2bq5 s ILE 92 N 0.67 0.54 0.33 1.82 1.01 -0.53 -4.96 121.20 120.08 2bq5 s ILE 92 Ca 0.07 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 2bq5 s ILE 92 Cb -0.12 -0.67 -0.12 0.00 0.01 0.00 0.00 42.46 41.55 2bq5 s ILE 92 CO 0.01 0.27 1.31 -2.65 0.00 0.00 0.00 174.94 173.88 2bq5 n PRO 93 N 5.10 2.14 0.01 2.79 -0.02 -1.26 -0.76 135.00 143.00 2bq5 n PRO 93 Ca -0.08 0.75 0.01 0.00 -2.02 0.00 0.00 63.50 62.16 2bq5 n PRO 93 Cb 0.50 -2.35 0.04 0.00 -0.02 0.00 0.00 33.50 31.67 2bq5 n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2bq5 n ILE 94 N 0.53 1.46 0.97 4.25 -5.35 0.26 -1.14 119.36 120.34 2bq5 n ILE 94 Ca 0.05 0.52 0.13 0.00 -0.27 0.00 0.00 62.75 63.18 2bq5 n ILE 94 Cb 0.36 -1.52 0.34 0.00 -1.74 0.00 0.00 39.64 37.08 2bq5 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2bq5 n PHE 95 N -1.44 0.05 -2.06 4.28 3.72 -1.26 -4.88 117.46 115.87 2bq5 n PHE 95 Ca -0.00 0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 2bq5 n PHE 95 Cb 0.13 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.29 2bq5 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bq5 s ALA 96 N -3.01 3.64 0.71 4.37 0.00 -0.29 -5.01 121.76 122.16 2bq5 s ALA 96 Ca 0.11 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.35 2bq5 s ALA 96 Cb 0.18 -3.55 0.13 0.00 0.00 0.00 0.00 23.12 19.88 2bq5 s ALA 96 CO 0.66 -0.69 0.98 0.95 0.00 0.00 0.00 175.76 177.66 2bq5 s THR 97 N 0.48 2.04 0.36 0.00 -4.23 -1.26 -4.87 115.64 108.16 2bq5 s THR 97 Ca 0.62 -0.69 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 2bq5 s THR 97 Cb -0.40 -2.34 0.15 0.00 1.34 0.00 0.00 72.50 71.24 2bq5 s THR 97 CO 0.37 0.00 1.88 0.78 -0.54 0.00 0.00 174.62 177.12 2bq5 h ASN 98 N -0.45 0.31 -0.02 3.99 2.35 -1.99 -0.56 115.58 119.20 2bq5 h ASN 98 Ca -0.33 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2bq5 h ASN 98 Cb 1.27 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 2bq5 h ASN 98 CO 0.38 0.46 -0.02 0.28 -1.65 0.00 0.00 177.43 176.88 2bq5 h SER 99 N 0.31 0.06 -0.54 5.81 0.02 -1.99 -1.31 113.55 115.91 2bq5 h SER 99 Ca 0.06 -0.49 0.11 0.00 -0.84 0.00 0.00 61.79 60.63 2bq5 h SER 99 Cb 0.40 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.82 2bq5 h SER 99 CO 0.02 0.54 -0.17 0.44 -1.14 0.00 0.00 176.83 176.52 2bq5 h ASP 100 N -0.43 -0.62 -0.48 3.07 3.32 -1.82 0.82 116.42 120.28 2bq5 h ASP 100 Ca 0.00 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2bq5 h ASP 100 Cb 0.52 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2bq5 h ASP 100 CO 0.01 -0.21 0.26 0.00 -1.72 0.00 0.00 179.24 177.57 2bq5 h GLU 102 N 0.70 1.17 -0.14 0.00 5.08 0.35 -1.45 114.58 120.28 2bq5 h GLU 102 Ca 0.18 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2bq5 h GLU 102 Cb 0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2bq5 h GLU 102 CO -0.03 0.87 0.05 1.25 -1.00 0.00 0.00 179.01 180.15 2bq5 h LEU 103 N 1.16 0.20 -1.01 1.33 6.46 -0.79 -1.76 115.31 120.89 2bq5 h LEU 103 Ca 0.29 -0.20 0.19 0.00 -0.12 0.00 0.00 57.88 58.04 2bq5 h LEU 103 Cb 0.06 -0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 39.83 2bq5 h LEU 103 CO -0.04 0.34 0.61 0.40 -0.62 0.00 0.00 178.44 179.13 2bq5 h ILE 104 N 0.05 0.70 0.28 4.05 2.04 -0.98 0.95 117.51 124.60 2bq5 h ILE 104 Ca 0.04 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2bq5 h ILE 104 Cb 0.21 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2bq5 h ILE 104 CO -0.00 0.14 -0.14 0.58 0.00 0.00 0.00 178.15 178.73 2bq5 h VAL 105 N 0.76 0.76 -0.98 1.67 2.07 -0.79 -2.25 116.25 117.50 2bq5 h VAL 105 Ca 0.58 -0.38 0.18 0.00 0.82 0.00 0.00 66.70 67.90 2bq5 h VAL 105 Cb 0.91 0.97 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 2bq5 h VAL 105 CO -0.38 0.08 0.61 0.11 0.02 0.00 0.00 177.57 178.01 2bq5 h LYS 106 N -0.58 0.67 -0.87 1.57 1.57 -0.33 0.24 116.57 118.84 2bq5 h LYS 106 Ca -0.04 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2bq5 h LYS 106 Cb 0.42 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 2bq5 h LYS 106 CO 0.06 0.45 0.43 0.00 -0.57 0.00 0.00 179.45 179.82 2bq5 h ALA 107 N 1.62 1.12 -0.18 3.86 0.00 -0.67 0.77 119.26 125.77 2bq5 h ALA 107 Ca 0.54 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 2bq5 h ALA 107 Cb 0.92 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2bq5 h ALA 107 CO -0.31 0.67 -0.07 0.52 0.00 0.00 0.00 179.25 180.06 2bq5 h MET 108 N 1.23 0.38 -0.28 0.00 2.86 -0.02 -1.39 114.93 117.70 2bq5 h MET 108 Ca 0.30 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2bq5 h MET 108 Cb 0.10 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2bq5 h MET 108 CO -0.04 0.66 0.02 1.96 1.06 0.00 0.00 176.91 180.58 2bq5 h GLN 109 N 0.07 0.11 -0.48 1.72 4.20 -0.65 -2.08 115.11 118.00 2bq5 h GLN 109 Ca 0.04 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.76 2bq5 h GLN 109 Cb 0.54 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2bq5 h GLN 109 CO 0.02 0.07 0.31 0.78 -0.67 0.00 0.00 178.83 179.35 2bq5 h GLY 110 N 0.11 0.67 -0.39 3.46 0.00 -0.80 0.28 103.07 106.41 2bq5 h GLY 110 Ca 0.13 -0.24 0.19 0.00 0.00 0.00 0.00 47.33 47.41 2bq5 h GLY 110 CO -0.21 0.23 0.07 -2.00 0.00 0.00 0.00 176.54 174.63 2bq5 h LEU 111 N 0.63 -0.25 -0.88 3.11 5.85 -0.55 -1.57 115.31 121.64 2bq5 h LEU 111 Ca 0.18 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.10 2bq5 h LEU 111 Cb -0.05 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2bq5 h LEU 111 CO -0.05 -0.17 -0.40 0.18 -0.34 0.00 0.00 178.44 177.66 2bq5 n LEU 112 N -5.31 1.77 -4.50 2.25 4.77 -1.01 -4.43 117.00 110.54 2bq5 n LEU 112 Ca 0.16 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 2bq5 n LEU 112 Cb 0.53 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2bq5 n LEU 112 CO 0.05 0.33 0.23 1.17 -1.33 0.00 0.00 177.39 177.84 2bq5 n LYS 113 N -0.16 0.78 -1.72 3.23 4.81 0.97 -4.73 118.16 121.34 2bq5 n LYS 113 Ca 0.10 0.28 -0.43 0.00 -0.87 0.00 0.00 58.31 57.40 2bq5 n LYS 113 Cb 0.44 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.80 2bq5 n LYS 113 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2bq5 n ASP 114 N 1.03 3.80 0.00 3.14 2.03 -1.26 -2.30 116.55 122.98 2bq5 n ASP 114 Ca 0.11 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.51 2bq5 n ASP 114 Cb 0.39 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 2bq5 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bq5 n GLY 115 N 3.39 3.10 3.80 0.27 0.00 -1.26 -5.06 105.19 109.44 2bq5 n GLY 115 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2bq5 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bq5 s ASN 116 N 0.56 6.19 0.12 1.61 0.01 -0.97 -4.90 114.94 117.56 2bq5 s ASN 116 Ca 0.00 1.85 -0.24 0.00 -0.71 0.00 0.00 52.86 53.76 2bq5 s ASN 116 Cb 0.00 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 2bq5 s ASN 116 CO 0.00 -0.89 1.25 -2.65 -1.51 0.00 0.00 177.10 173.30 2bq5 n PRO 117 N -1.39 -0.34 0.06 -0.60 -0.02 -1.26 -2.76 135.00 128.69 2bq5 n PRO 117 Ca 0.09 1.22 -0.10 0.00 -2.02 0.00 0.00 63.50 62.69 2bq5 n PRO 117 Cb 0.53 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 2bq5 n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2bq5 h ILE 118 N 0.00 0.00 -0.12 4.25 1.08 -1.94 -0.70 117.51 120.09 2bq5 h ILE 118 Ca 0.12 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.61 2bq5 h ILE 118 Cb 0.32 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 2bq5 h ILE 118 CO -0.73 0.00 0.08 1.55 -0.69 0.00 0.00 178.15 178.36 2bq5 h PRO 119 N -0.46 0.10 -0.11 2.37 0.13 -1.77 -1.97 132.00 130.29 2bq5 h PRO 119 Ca -0.00 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2bq5 h PRO 119 Cb 0.47 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2bq5 h PRO 119 CO -0.20 0.07 0.02 0.77 -0.23 0.00 0.00 178.00 178.43 2bq5 h SER 120 N 0.10 0.00 0.52 1.44 0.02 -1.21 0.80 113.55 115.23 2bq5 h SER 120 Ca 0.05 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2bq5 h SER 120 Cb 0.06 0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.63 2bq5 h SER 120 CO -0.01 0.02 -0.25 0.00 -1.14 0.00 0.00 176.83 175.45 2bq5 h ALA 121 N 1.08 -0.70 -0.17 3.77 0.00 -0.52 -2.96 119.26 119.76 2bq5 h ALA 121 Ca 0.05 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2bq5 h ALA 121 Cb 0.05 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2bq5 h ALA 121 CO -0.07 -0.88 -0.44 0.82 0.00 0.00 0.00 179.25 178.68 2bq5 h ILE 122 N -0.74 0.11 0.00 0.00 2.04 -1.17 0.06 117.51 117.82 2bq5 h ILE 122 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2bq5 h ILE 122 Cb 0.55 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2bq5 h ILE 122 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.27 2bq5 n ALA 123 N -2.97 1.77 -1.16 1.87 0.00 0.26 -1.71 120.51 118.57 2bq5 n ALA 123 Ca -0.04 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.41 2bq5 n ALA 123 Cb 0.36 -1.11 0.07 0.00 0.00 0.00 0.00 19.45 18.78 2bq5 n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bq5 n ALA 124 N -0.94 2.05 -3.99 0.00 0.00 -0.38 -4.98 120.51 112.27 2bq5 n ALA 124 Ca 0.05 -1.77 -0.31 0.00 0.00 0.00 0.00 53.44 51.41 2bq5 n ALA 124 Cb 0.02 -0.33 0.01 0.00 0.00 0.00 0.00 19.45 19.16 2bq5 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bq5 n ASN 125 N -0.79 -3.97 -4.45 0.00 3.02 -0.70 -4.95 115.26 103.43 2bq5 n ASN 125 Ca 0.08 -0.85 -0.21 0.00 -0.03 0.00 0.00 54.58 53.56 2bq5 n ASN 125 Cb 0.59 -3.55 -0.11 0.00 -0.61 0.00 0.00 39.78 36.10 2bq5 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2bq5 s SER 126 N -3.42 2.41 0.00 6.41 0.01 -0.13 -5.04 113.70 113.93 2bq5 s SER 126 Ca 0.61 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2bq5 s SER 126 Cb -0.32 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2bq5 s SER 126 CO 0.86 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2bq5 n GLY 127 N -0.67 4.34 3.79 3.44 0.00 -1.26 -4.10 105.19 110.73 2bq5 n GLY 127 Ca -0.03 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 2bq5 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bq5 s ILE 128 N 1.95 5.42 0.00 -0.61 -1.09 -1.26 -4.77 121.20 120.84 2bq5 s ILE 128 Ca 0.00 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 2bq5 s ILE 128 Cb 0.00 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 2bq5 s ILE 128 CO 0.00 0.51 0.00 0.00 -1.23 0.00 0.00 174.94 174.22