#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs0 n SER 2 N 0.00 0.00 -0.85 0.00 2.88 -1.26 -5.08 113.62 109.31 2bs0 n SER 2 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 2bs0 n SER 2 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 2bs0 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2bs0 n ASN 3 N 0.00 2.87 -4.24 -3.46 2.04 -1.26 -4.82 115.26 106.39 2bs0 n ASN 3 Ca 0.00 -1.85 -0.43 0.00 -0.44 0.00 0.00 54.58 51.87 2bs0 n ASN 3 Cb 0.00 -0.12 0.00 0.00 -2.53 0.00 0.00 39.78 37.13 2bs0 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2bs0 n PHE 4 N 1.09 4.21 -4.39 -2.53 7.35 -1.26 -4.89 117.46 117.05 2bs0 n PHE 4 Ca 0.14 -2.90 -0.19 0.00 -0.76 0.00 0.00 57.45 53.73 2bs0 n PHE 4 Cb 0.49 -2.59 -0.10 0.00 0.35 0.00 0.00 39.48 37.62 2bs0 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2bs0 s THR 5 N 3.73 1.06 0.48 -2.13 -4.23 -1.26 -4.88 115.64 108.40 2bs0 s THR 5 Ca 0.51 -2.02 -0.23 0.00 -1.18 0.00 0.00 61.69 58.77 2bs0 s THR 5 Cb 0.08 -2.60 -0.07 0.00 1.34 0.00 0.00 72.50 71.25 2bs0 s THR 5 CO 0.01 -0.12 1.24 -1.58 -0.54 0.00 0.00 174.62 173.63 2bs0 s GLN 6 N -3.90 3.62 0.16 3.99 0.74 -1.26 -4.70 119.66 118.31 2bs0 s GLN 6 Ca 0.34 1.96 -0.15 0.00 0.05 0.00 0.00 55.36 57.55 2bs0 s GLN 6 Cb 0.07 -2.42 0.02 0.00 1.10 0.00 0.00 33.01 31.79 2bs0 s GLN 6 CO 0.13 -0.72 0.42 -0.59 -0.55 0.00 0.00 175.29 173.98 2bs0 s PHE 7 N -1.43 -0.07 -0.36 1.67 -0.71 -0.65 -5.00 117.98 111.42 2bs0 s PHE 7 Ca 0.65 -0.27 -0.27 0.00 -1.04 0.00 0.00 56.93 56.01 2bs0 s PHE 7 Cb -0.33 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 41.75 2bs0 s PHE 7 CO 0.40 -0.78 0.96 0.08 -1.34 0.00 0.00 175.22 174.55 2bs0 s VAL 8 N -3.86 4.56 -0.09 -2.49 1.01 -1.26 -1.07 120.40 117.21 2bs0 s VAL 8 Ca 0.07 1.34 -0.17 0.00 0.00 0.00 0.00 61.98 63.22 2bs0 s VAL 8 Cb 0.01 -4.35 -0.28 0.00 0.00 0.00 0.00 36.38 31.75 2bs0 s VAL 8 CO -0.07 -0.52 0.64 0.25 0.00 0.00 0.00 175.10 175.41 2bs0 h LEU 9 N 10.08 0.41 -7.93 3.92 5.85 -1.29 -3.44 115.31 122.91 2bs0 h LEU 9 Ca -0.23 -0.88 -0.67 0.00 0.84 0.00 0.00 57.88 56.95 2bs0 h LEU 9 Cb 1.07 -0.13 -0.36 0.00 0.37 0.00 0.00 40.66 41.61 2bs0 h LEU 9 CO 0.99 1.56 -0.82 -0.69 -0.34 0.00 0.00 178.44 179.15 2bs0 s VAL 10 N -2.47 2.10 -0.21 1.05 1.01 -0.97 -4.99 120.40 115.92 2bs0 s VAL 10 Ca -0.18 -1.36 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 2bs0 s VAL 10 Cb 0.04 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 2bs0 s VAL 10 CO 0.78 0.18 0.18 -0.62 0.00 0.00 0.00 175.10 175.63 2bs0 s ASP 11 N 1.18 6.22 -0.17 3.32 2.15 -1.26 -0.70 116.67 127.41 2bs0 s ASP 11 Ca -0.04 0.24 0.16 0.00 0.43 0.00 0.00 52.55 53.35 2bs0 s ASP 11 Cb -0.17 -2.12 0.44 0.00 -0.30 0.00 0.00 42.92 40.77 2bs0 s ASP 11 CO -0.08 0.10 1.18 0.59 -0.17 0.00 0.00 175.17 176.80 2bs0 n ASN 12 N 3.91 2.10 -2.10 -0.34 3.02 -1.26 -4.99 115.26 115.59 2bs0 n ASN 12 Ca -0.14 -3.05 -0.07 0.00 -0.03 0.00 0.00 54.58 51.28 2bs0 n ASN 12 Cb 0.52 -0.42 0.04 0.00 -0.61 0.00 0.00 39.78 39.30 2bs0 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bs0 n GLY 13 N -0.50 0.08 4.94 7.41 0.00 -1.26 -4.04 105.19 111.82 2bs0 n GLY 13 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2bs0 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs0 n GLY 14 N -1.16 1.42 3.55 -0.02 0.00 -1.26 -4.91 105.19 102.81 2bs0 n GLY 14 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2bs0 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bs0 s THR 15 N 0.00 5.25 0.00 2.61 -1.32 -1.26 -4.12 115.64 116.80 2bs0 s THR 15 Ca 0.00 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 2bs0 s THR 15 Cb 0.00 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.28 2bs0 s THR 15 CO 0.00 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 2bs0 n GLY 16 N 5.03 0.84 3.78 6.08 0.00 -1.26 -4.72 105.19 114.94 2bs0 n GLY 16 Ca -0.12 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2bs0 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bs0 s ASP 17 N -2.14 5.56 -0.28 1.61 1.11 -1.26 -4.68 116.67 116.59 2bs0 s ASP 17 Ca 0.00 2.07 -0.06 0.00 0.18 0.00 0.00 52.55 54.75 2bs0 s ASP 17 Cb 0.00 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.43 2bs0 s ASP 17 CO 0.00 -1.32 0.04 -0.69 1.18 0.00 0.00 175.17 174.38 2bs0 s VAL 18 N -2.03 3.72 0.01 -1.27 1.01 0.12 -4.99 120.40 116.97 2bs0 s VAL 18 Ca 0.70 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 2bs0 s VAL 18 Cb -0.22 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2bs0 s VAL 18 CO 0.32 0.14 0.19 -0.89 0.00 0.00 0.00 175.10 174.87 2bs0 s THR 19 N 1.47 5.42 -0.08 3.92 2.01 -1.26 -0.77 115.64 126.35 2bs0 s THR 19 Ca 0.03 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.85 2bs0 s THR 19 Cb -0.17 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2bs0 s THR 19 CO 0.01 0.29 -0.12 0.54 -0.69 0.00 0.00 174.62 174.65 2bs0 s VAL 20 N -1.36 1.13 0.16 3.82 0.11 -0.23 -4.29 120.40 119.74 2bs0 s VAL 20 Ca 0.29 -0.45 0.10 0.00 -2.93 0.00 0.00 61.98 58.99 2bs0 s VAL 20 Cb -0.13 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 2bs0 s VAL 20 CO 0.20 0.36 -0.23 0.00 -3.33 0.00 0.00 175.10 172.10 2bs0 s ALA 21 N 0.88 2.32 0.13 1.54 0.00 -0.69 -1.64 121.76 124.29 2bs0 s ALA 21 Ca -0.10 -1.53 -0.35 0.00 0.00 0.00 0.00 51.96 49.97 2bs0 s ALA 21 Cb -0.15 -0.30 -0.16 0.00 0.00 0.00 0.00 23.12 22.50 2bs0 s ALA 21 CO 0.01 0.41 1.31 -2.30 0.00 0.00 0.00 175.76 175.19 2bs0 n PRO 22 N 0.50 1.27 0.00 0.00 -0.02 -1.26 -1.36 135.00 134.13 2bs0 n PRO 22 Ca -0.15 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2bs0 n PRO 22 Cb 0.55 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2bs0 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bs0 n SER 23 N 2.42 0.01 -3.62 2.55 3.41 0.65 -4.84 113.62 114.20 2bs0 n SER 23 Ca 0.17 -0.15 -0.08 0.00 -0.26 0.00 0.00 58.87 58.55 2bs0 n SER 23 Cb 0.22 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2bs0 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2bs0 s ASN 24 N -0.19 -0.29 -0.01 4.04 3.84 -1.20 -4.99 114.94 116.14 2bs0 s ASN 24 Ca 0.00 0.43 0.05 0.00 0.21 0.00 0.00 52.86 53.56 2bs0 s ASN 24 Cb 0.00 0.40 0.09 0.00 -0.55 0.00 0.00 41.25 41.19 2bs0 s ASN 24 CO 0.00 -0.19 1.04 0.33 -2.79 0.00 0.00 177.10 175.49 2bs0 n PHE 25 N 1.25 0.00 -1.89 0.43 7.35 -1.26 -1.03 117.46 122.32 2bs0 n PHE 25 Ca -0.09 -0.16 -0.41 0.00 -0.76 0.00 0.00 57.45 56.03 2bs0 n PHE 25 Cb 0.57 -0.07 -0.02 0.00 0.35 0.00 0.00 39.48 40.31 2bs0 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bs0 s ALA 26 N -0.22 3.68 -0.60 3.13 0.00 -1.26 -1.97 121.76 124.52 2bs0 s ALA 26 Ca 0.08 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2bs0 s ALA 26 Cb 0.08 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2bs0 s ALA 26 CO -0.03 -0.88 0.00 0.09 0.00 0.00 0.00 175.76 174.95 2bs0 n ASN 27 N 2.06 -4.83 0.00 0.00 3.02 -1.26 -2.49 115.26 111.75 2bs0 n ASN 27 Ca 0.07 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2bs0 n ASN 27 Cb 0.39 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.73 2bs0 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bs0 n GLY 28 N -0.76 0.54 3.54 7.41 0.00 -0.83 -5.00 105.19 110.08 2bs0 n GLY 28 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2bs0 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs0 s VAL 29 N -2.22 5.12 0.11 1.61 1.01 -1.04 -4.85 120.40 120.14 2bs0 s VAL 29 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 2bs0 s VAL 29 Cb 0.00 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 2bs0 s VAL 29 CO 0.00 -0.15 1.16 0.00 0.00 0.00 0.00 175.10 176.10 2bs0 s ALA 30 N 2.12 3.38 -0.02 5.51 0.00 -0.90 -4.00 121.76 127.85 2bs0 s ALA 30 Ca 0.14 0.83 0.05 0.00 0.00 0.00 0.00 51.96 52.98 2bs0 s ALA 30 Cb -0.16 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2bs0 s ALA 30 CO 0.12 -0.35 -0.17 -2.00 0.00 0.00 0.00 175.76 173.36 2bs0 s GLU 31 N 0.48 1.44 0.01 0.00 2.12 -0.20 -1.60 118.70 120.95 2bs0 s GLU 31 Ca 0.55 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 55.32 2bs0 s GLU 31 Cb -0.29 -1.37 -0.01 0.00 0.26 0.00 0.00 34.13 32.72 2bs0 s GLU 31 CO 0.32 0.34 -0.13 -1.58 -0.54 0.00 0.00 175.26 173.67 2bs0 s TRP 32 N -0.31 1.16 0.05 5.30 0.51 0.54 -0.25 118.94 125.94 2bs0 s TRP 32 Ca 0.04 -0.26 -0.06 0.00 -2.12 0.00 0.00 56.10 53.71 2bs0 s TRP 32 Cb -0.07 -0.73 -0.01 0.00 -0.81 0.00 0.00 33.47 31.84 2bs0 s TRP 32 CO -0.00 -0.00 0.10 0.96 -0.51 0.00 0.00 176.95 177.50 2bs0 s ILE 33 N -0.48 0.15 0.78 2.03 -4.36 -0.47 -1.07 121.20 117.78 2bs0 s ILE 33 Ca 0.04 -1.20 -0.09 0.00 -0.26 0.00 0.00 60.65 59.14 2bs0 s ILE 33 Cb -0.06 -1.06 0.10 0.00 1.25 0.00 0.00 42.46 42.69 2bs0 s ILE 33 CO 0.00 -0.66 1.11 -0.94 0.24 0.00 0.00 174.94 174.69 2bs0 s SER 34 N -2.37 4.33 -1.34 4.36 1.04 -0.61 -1.70 113.70 117.40 2bs0 s SER 34 Ca -0.01 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.66 2bs0 s SER 34 Cb 0.01 -0.84 0.09 0.00 0.10 0.00 0.00 66.02 65.38 2bs0 s SER 34 CO -0.06 -1.94 1.89 -0.24 0.98 0.00 0.00 173.24 173.86 2bs0 n SER 35 N -3.18 4.64 -2.51 7.02 2.88 -1.26 -4.76 113.62 116.45 2bs0 n SER 35 Ca 0.10 -2.93 -0.12 0.00 -1.33 0.00 0.00 58.87 54.59 2bs0 n SER 35 Cb 0.60 -1.65 -0.04 0.00 -0.75 0.00 0.00 64.21 62.38 2bs0 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2bs0 n ASN 36 N 6.42 -0.78 -4.82 -3.46 3.02 -1.26 -5.06 115.26 109.32 2bs0 n ASN 36 Ca 0.47 -2.46 -0.33 0.00 -0.03 0.00 0.00 54.58 52.23 2bs0 n ASN 36 Cb 0.41 1.56 -0.04 0.00 -0.61 0.00 0.00 39.78 41.11 2bs0 n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2bs0 s SER 37 N -2.61 6.51 0.39 6.41 1.04 -1.26 -4.79 113.70 119.38 2bs0 s SER 37 Ca 0.24 1.71 0.27 0.00 0.48 0.00 0.00 55.95 58.65 2bs0 s SER 37 Cb 0.00 -2.53 1.38 0.00 0.10 0.00 0.00 66.02 64.97 2bs0 s SER 37 CO 0.17 -0.66 1.82 0.03 0.98 0.00 0.00 173.24 175.58 2bs0 h ARG 38 N 1.22 0.00 0.00 4.02 3.08 -1.96 -0.40 114.38 120.34 2bs0 h ARG 38 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2bs0 h ARG 38 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2bs0 h ARG 38 CO 0.60 0.00 -0.18 0.66 -1.07 0.00 0.00 179.97 179.98 2bs0 h SER 39 N 0.00 0.00 0.00 7.04 4.64 -1.98 -3.32 113.55 119.93 2bs0 h SER 39 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2bs0 h SER 39 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2bs0 h SER 39 CO 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2bs0 n GLN 40 N -2.81 0.13 -1.80 4.77 6.02 -0.32 -4.99 117.38 118.38 2bs0 n GLN 40 Ca 0.04 -0.76 -0.30 0.00 -0.01 0.00 0.00 57.00 55.97 2bs0 n GLN 40 Cb 0.51 -0.98 0.06 0.00 1.02 0.00 0.00 30.24 30.84 2bs0 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bs0 s ALA 41 N -0.27 2.75 -0.14 -1.58 0.00 -0.31 -4.65 121.76 117.56 2bs0 s ALA 41 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.50 2bs0 s ALA 41 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2bs0 s ALA 41 CO 0.00 -1.26 0.37 0.71 0.00 0.00 0.00 175.76 175.57 2bs0 s TYR 42 N -3.31 3.49 -0.01 0.00 1.51 -1.26 -4.37 117.35 113.41 2bs0 s TYR 42 Ca 0.59 0.72 0.05 0.00 -1.01 0.00 0.00 57.07 57.42 2bs0 s TYR 42 Cb -0.12 -2.42 -0.01 0.00 -0.11 0.00 0.00 41.96 39.30 2bs0 s TYR 42 CO 0.52 0.23 -0.15 0.21 -1.11 0.00 0.00 175.55 175.26 2bs0 s LYS 43 N 0.46 1.17 -0.03 -0.62 2.20 -0.79 -1.58 119.74 120.56 2bs0 s LYS 43 Ca 0.20 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 2bs0 s LYS 43 Cb -0.14 -1.14 0.01 0.00 -1.51 0.00 0.00 37.83 35.06 2bs0 s LYS 43 CO 0.07 0.31 -0.05 0.08 -0.36 0.00 0.00 175.35 175.39 2bs0 s VAL 44 N -0.39 0.54 0.05 4.02 1.01 -0.23 -0.80 120.40 124.61 2bs0 s VAL 44 Ca 0.05 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2bs0 s VAL 44 Cb -0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2bs0 s VAL 44 CO -0.00 0.20 -0.10 0.42 0.00 0.00 0.00 175.10 175.62 2bs0 s THR 45 N 0.55 0.72 -0.07 3.92 -4.23 -0.33 -0.34 115.64 115.87 2bs0 s THR 45 Ca -0.07 -1.14 -0.16 0.00 -1.18 0.00 0.00 61.69 59.13 2bs0 s THR 45 Cb -0.11 -0.75 0.03 0.00 1.34 0.00 0.00 72.50 73.01 2bs0 s THR 45 CO 0.00 -0.33 0.39 0.00 -0.54 0.00 0.00 174.62 174.15 2bs0 s SER 47 N -0.74 -0.46 0.10 0.00 1.04 -1.04 -2.11 113.70 110.50 2bs0 s SER 47 Ca -0.08 0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.79 2bs0 s SER 47 Cb -0.04 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2bs0 s SER 47 CO 0.04 -0.51 -0.16 -0.69 0.98 0.00 0.00 173.24 172.90 2bs0 s VAL 48 N -1.72 1.37 0.13 5.02 1.01 -1.26 -0.68 120.40 124.27 2bs0 s VAL 48 Ca -0.03 -1.54 -0.24 0.00 0.00 0.00 0.00 61.98 60.17 2bs0 s VAL 48 Cb -0.00 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 35.06 2bs0 s VAL 48 CO 0.01 -0.26 0.74 0.00 0.00 0.00 0.00 175.10 175.58 2bs0 s ARG 49 N -2.16 1.23 -0.44 2.72 1.70 -1.03 -5.00 118.95 115.97 2bs0 s ARG 49 Ca 0.05 -0.53 -0.23 0.00 -0.47 0.00 0.00 55.73 54.55 2bs0 s ARG 49 Cb -0.08 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 2bs0 s ARG 49 CO 0.03 -0.55 0.80 -1.14 -1.08 0.00 0.00 175.30 173.36 2bs0 s GLN 50 N -3.56 3.46 0.35 3.89 0.74 -1.26 -0.43 119.66 122.85 2bs0 s GLN 50 Ca 0.05 -0.03 0.18 0.00 0.05 0.00 0.00 55.36 55.61 2bs0 s GLN 50 Cb -0.02 -3.92 0.52 0.00 1.10 0.00 0.00 33.01 30.69 2bs0 s GLN 50 CO -0.07 -1.10 1.66 0.66 -0.55 0.00 0.00 175.29 175.89 2bs0 h SER 51 N 8.93 0.00 -2.65 6.67 4.64 -1.69 -3.48 113.55 125.97 2bs0 h SER 51 Ca -0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 2bs0 h SER 51 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2bs0 h SER 51 CO 0.96 0.41 0.19 -1.54 -0.87 0.00 0.00 176.83 175.98 2bs0 n SER 52 N -3.43 -1.78 -0.32 4.97 3.41 -1.07 -4.99 113.62 110.40 2bs0 n SER 52 Ca 0.00 -2.29 0.02 0.00 -0.26 0.00 0.00 58.87 56.34 2bs0 n SER 52 Cb 0.57 2.98 0.15 0.00 -0.26 0.00 0.00 64.21 67.66 2bs0 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bs0 h ALA 53 N 1.99 1.23 -0.01 7.33 0.00 -2.04 -3.08 119.26 124.69 2bs0 h ALA 53 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2bs0 h ALA 53 Cb 0.98 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2bs0 h ALA 53 CO 0.34 0.29 -0.69 1.04 0.00 0.00 0.00 179.25 180.23 2bs0 n GLN 54 N -4.61 1.08 -4.26 0.00 1.13 -1.26 -4.93 117.38 104.54 2bs0 n GLN 54 Ca 0.13 -0.38 -0.20 0.00 -1.94 0.00 0.00 57.00 54.61 2bs0 n GLN 54 Cb 0.19 -1.38 -0.12 0.00 0.11 0.00 0.00 30.24 29.04 2bs0 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2bs0 s ASN 55 N -2.54 2.20 0.22 1.08 0.01 -1.16 -0.00 114.94 114.74 2bs0 s ASN 55 Ca 0.11 -0.75 0.09 0.00 -0.71 0.00 0.00 52.86 51.60 2bs0 s ASN 55 Cb 0.15 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.67 2bs0 s ASN 55 CO 0.66 -0.06 -0.06 -0.13 -1.51 0.00 0.00 177.10 175.99 2bs0 s ARG 56 N -2.31 2.14 -0.08 -0.60 0.52 -0.32 -2.00 118.95 116.30 2bs0 s ARG 56 Ca 0.07 -1.34 -0.03 0.00 -0.52 0.00 0.00 55.73 53.91 2bs0 s ARG 56 Cb -0.07 -2.15 0.04 0.00 0.52 0.00 0.00 34.95 33.29 2bs0 s ARG 56 CO 0.04 0.40 0.16 0.21 0.02 0.00 0.00 175.30 176.13 2bs0 s LYS 57 N -3.17 0.08 -0.01 3.54 2.20 0.43 -1.13 119.74 121.66 2bs0 s LYS 57 Ca 0.28 0.46 -0.15 0.00 -0.36 0.00 0.00 55.97 56.20 2bs0 s LYS 57 Cb -0.08 -0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 35.98 2bs0 s LYS 57 CO 0.17 -0.22 0.41 0.71 -0.36 0.00 0.00 175.35 176.06 2bs0 s TYR 58 N 1.63 3.70 -0.25 4.03 1.51 0.26 -2.47 117.35 125.76 2bs0 s TYR 58 Ca -0.04 0.97 0.02 0.00 -1.01 0.00 0.00 57.07 57.01 2bs0 s TYR 58 Cb -0.12 -2.31 0.06 0.00 -0.11 0.00 0.00 41.96 39.49 2bs0 s TYR 58 CO -0.06 0.60 -0.07 0.99 -1.11 0.00 0.00 175.55 175.90 2bs0 s THR 59 N -0.90 1.78 -0.11 -0.71 2.01 0.14 -1.30 115.64 116.55 2bs0 s THR 59 Ca 0.24 -1.42 0.02 0.00 0.31 0.00 0.00 61.69 60.84 2bs0 s THR 59 Cb -0.16 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 2bs0 s THR 59 CO 0.13 -0.10 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.15 2bs0 s ILE 60 N 1.27 2.66 0.02 1.82 1.01 -0.46 -2.51 121.20 125.02 2bs0 s ILE 60 Ca -0.06 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.84 2bs0 s ILE 60 Cb -0.19 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 2bs0 s ILE 60 CO -0.06 0.54 -0.17 -0.54 0.00 0.00 0.00 174.94 174.71 2bs0 s LYS 61 N 0.23 1.23 0.00 2.79 1.02 -0.56 -0.01 119.74 124.45 2bs0 s LYS 61 Ca -0.12 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.12 2bs0 s LYS 61 Cb -0.16 -1.26 -0.01 0.00 -0.52 0.00 0.00 37.83 35.88 2bs0 s LYS 61 CO 0.06 0.33 -0.03 0.08 -0.92 0.00 0.00 175.35 174.87 2bs0 s VAL 62 N -0.67 0.26 -0.11 3.17 1.01 -0.28 -1.19 120.40 122.59 2bs0 s VAL 62 Ca 0.05 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2bs0 s VAL 62 Cb -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.07 2bs0 s VAL 62 CO 0.01 -0.02 -0.17 -1.61 0.00 0.00 0.00 175.10 173.31 2bs0 s GLU 63 N -0.32 2.36 -0.10 2.72 2.02 0.02 -0.62 118.70 124.77 2bs0 s GLU 63 Ca -0.01 -0.61 0.04 0.00 0.02 0.00 0.00 54.97 54.40 2bs0 s GLU 63 Cb -0.03 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.23 2bs0 s GLU 63 CO -0.00 -0.04 -0.23 0.08 0.02 0.00 0.00 175.26 175.09 2bs0 s VAL 64 N 0.92 1.99 0.39 2.63 1.01 -0.50 -1.88 120.40 124.96 2bs0 s VAL 64 Ca -0.07 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 2bs0 s VAL 64 Cb -0.15 -1.73 -0.10 0.00 0.00 0.00 0.00 36.38 34.41 2bs0 s VAL 64 CO -0.01 0.54 0.99 -2.16 0.00 0.00 0.00 175.10 174.47 2bs0 s PRO 65 N 0.42 4.27 -0.15 2.72 0.04 -1.26 -1.00 135.00 140.04 2bs0 s PRO 65 Ca -0.17 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 2bs0 s PRO 65 Cb -0.18 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 2bs0 s PRO 65 CO 0.07 -0.02 1.09 0.21 0.04 0.00 0.00 177.00 178.39 2bs0 s LYS 66 N -2.59 4.32 -0.17 4.56 2.20 -0.15 -4.91 119.74 123.00 2bs0 s LYS 66 Ca 0.57 1.46 0.09 0.00 -0.36 0.00 0.00 55.97 57.74 2bs0 s LYS 66 Cb -0.17 -3.61 -0.23 0.00 -1.51 0.00 0.00 37.83 32.31 2bs0 s LYS 66 CO 0.22 -0.51 0.16 0.28 -0.36 0.00 0.00 175.35 175.15 2bs0 n VAL 67 N 4.96 1.52 -1.68 4.02 0.31 -1.26 -4.67 118.33 121.53 2bs0 n VAL 67 Ca 0.11 -0.74 -0.45 0.00 -0.01 0.00 0.00 64.34 63.26 2bs0 n VAL 67 Cb 0.47 -1.03 -0.04 0.00 -0.91 0.00 0.00 33.84 32.33 2bs0 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bs0 n ALA 68 N -2.88 1.60 -1.00 3.52 0.00 -1.26 -1.18 120.51 119.31 2bs0 n ALA 68 Ca -0.33 0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 2bs0 n ALA 68 Cb 1.08 -2.55 -0.00 0.00 0.00 0.00 0.00 19.45 17.98 2bs0 n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bs0 n THR 69 N 4.77 0.00 -2.00 0.00 -2.24 -1.26 -5.00 114.28 108.55 2bs0 n THR 69 Ca 0.19 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.61 2bs0 n THR 69 Cb 0.34 -0.50 0.03 0.00 -2.10 0.00 0.00 70.33 68.11 2bs0 n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2bs0 s GLN 70 N -1.00 3.10 -0.34 -0.78 0.74 -0.32 -5.01 119.66 116.05 2bs0 s GLN 70 Ca 0.00 1.90 0.00 0.00 0.05 0.00 0.00 55.36 57.31 2bs0 s GLN 70 Cb 0.00 -2.05 0.09 0.00 1.10 0.00 0.00 33.01 32.14 2bs0 s GLN 70 CO 0.00 -1.12 0.07 0.99 -0.55 0.00 0.00 175.29 174.68 2bs0 s THR 71 N -1.52 2.80 -0.10 -0.34 2.01 -1.26 -5.07 115.64 112.15 2bs0 s THR 71 Ca 0.75 -1.92 -0.35 0.00 0.31 0.00 0.00 61.69 60.48 2bs0 s THR 71 Cb -0.32 -2.85 -0.12 0.00 0.01 0.00 0.00 72.50 69.22 2bs0 s THR 71 CO 0.36 -0.44 1.85 0.52 -0.69 0.00 0.00 174.62 176.22 2bs0 n VAL 72 N 4.48 0.52 -0.78 3.82 0.31 -1.26 -0.94 118.33 124.48 2bs0 n VAL 72 Ca -0.05 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2bs0 n VAL 72 Cb 0.42 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 2bs0 n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bs0 n GLY 73 N 4.34 1.00 3.93 2.92 0.00 -1.26 -5.04 105.19 111.08 2bs0 n GLY 73 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 2bs0 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bs0 s GLY 74 N -1.84 1.68 -0.48 -0.02 0.00 -0.12 -5.03 107.32 101.52 2bs0 s GLY 74 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 43.62 2bs0 s GLY 74 CO 0.00 -0.49 0.59 0.14 0.00 0.00 0.00 173.10 173.33 2bs0 s VAL 75 N -3.28 4.92 -0.27 1.40 1.01 -1.26 -5.00 120.40 117.92 2bs0 s VAL 75 Ca 0.60 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 2bs0 s VAL 75 Cb -0.11 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 2bs0 s VAL 75 CO 0.45 -0.70 0.06 -1.61 0.00 0.00 0.00 175.10 173.30 2bs0 s GLU 76 N 2.53 3.27 0.08 2.72 2.02 -1.26 -5.09 118.70 122.97 2bs0 s GLU 76 Ca 0.15 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.48 2bs0 s GLU 76 Cb -0.18 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 2bs0 s GLU 76 CO 0.13 -0.34 -0.19 -0.51 0.02 0.00 0.00 175.26 174.37 2bs0 s LEU 77 N 1.52 2.27 0.41 1.80 2.01 -1.26 -4.10 118.68 121.33 2bs0 s LEU 77 Ca 0.04 -0.63 -0.23 0.00 0.01 0.00 0.00 54.13 53.32 2bs0 s LEU 77 Cb -0.16 -0.78 -0.10 0.00 0.01 0.00 0.00 46.19 45.16 2bs0 s LEU 77 CO 0.02 0.04 1.00 -2.16 1.01 0.00 0.00 176.35 176.25 2bs0 s PRO 78 N -1.71 4.20 0.35 1.29 0.04 -1.26 -5.01 135.00 132.89 2bs0 s PRO 78 Ca 0.04 1.33 0.09 0.00 0.04 0.00 0.00 61.00 62.50 2bs0 s PRO 78 Cb -0.10 -2.40 0.81 0.00 0.04 0.00 0.00 34.50 32.85 2bs0 s PRO 78 CO 0.03 -0.08 1.85 0.28 0.04 0.00 0.00 177.00 179.12 2bs0 h VAL 79 N 2.07 0.81 0.00 -0.36 2.07 -2.00 -1.27 116.25 117.57 2bs0 h VAL 79 Ca -0.48 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2bs0 h VAL 79 Cb 1.20 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2bs0 h VAL 79 CO 0.62 0.13 0.00 0.00 0.02 0.00 0.00 177.57 178.34 2bs0 h ALA 80 N 1.60 1.00 0.00 1.67 0.00 -1.93 -1.82 119.26 119.78 2bs0 h ALA 80 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2bs0 h ALA 80 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2bs0 h ALA 80 CO -0.23 0.00 -0.83 0.00 0.00 0.00 0.00 179.25 178.19 2bs0 n ALA 81 N -1.90 3.01 -0.06 0.00 0.00 -0.48 -4.26 120.51 116.82 2bs0 n ALA 81 Ca -0.01 -0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.18 2bs0 n ALA 81 Cb 0.13 -1.09 0.11 0.00 0.00 0.00 0.00 19.45 18.60 2bs0 n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2bs0 n TRP 82 N -2.15 0.32 -3.91 0.00 7.02 -0.69 -4.92 117.44 113.11 2bs0 n TRP 82 Ca 0.02 -0.42 -0.11 0.00 -1.02 0.00 0.00 57.50 55.98 2bs0 n TRP 82 Cb 0.46 -0.03 -0.12 0.00 -2.42 0.00 0.00 31.31 29.20 2bs0 n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2bs0 s ARG 83 N -0.96 0.21 -0.02 -0.99 0.52 -1.16 -0.98 118.95 115.57 2bs0 s ARG 83 Ca 0.18 -0.30 0.05 0.00 -0.52 0.00 0.00 55.73 55.13 2bs0 s ARG 83 Cb 0.10 0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.62 2bs0 s ARG 83 CO 0.13 -0.04 -0.15 -1.12 0.02 0.00 0.00 175.30 174.14 2bs0 s SER 84 N -0.81 4.00 -0.09 0.23 0.01 -0.17 -4.92 113.70 111.96 2bs0 s SER 84 Ca -0.09 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 56.95 2bs0 s SER 84 Cb -0.05 -0.80 0.01 0.00 0.21 0.00 0.00 66.02 65.38 2bs0 s SER 84 CO -0.00 0.32 -0.19 -0.31 0.41 0.00 0.00 173.24 173.46 2bs0 s TYR 85 N -0.80 2.14 -0.13 2.43 1.51 -1.26 -1.42 117.35 119.82 2bs0 s TYR 85 Ca 0.13 -0.87 -0.00 0.00 -1.01 0.00 0.00 57.07 55.32 2bs0 s TYR 85 Cb -0.11 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 2bs0 s TYR 85 CO 0.02 -0.38 -0.13 -1.17 -1.11 0.00 0.00 175.55 172.79 2bs0 s LEU 86 N 0.49 2.72 -0.19 -1.29 2.96 0.20 -5.00 118.68 118.58 2bs0 s LEU 86 Ca -0.17 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 2bs0 s LEU 86 Cb -0.17 -1.61 0.05 0.00 0.50 0.00 0.00 46.19 44.96 2bs0 s LEU 86 CO 0.06 0.17 -0.02 0.00 -1.32 0.00 0.00 176.35 175.25 2bs0 s ALA 87 N 0.33 1.39 -0.03 5.97 0.00 -1.26 -1.12 121.76 127.03 2bs0 s ALA 87 Ca -0.11 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2bs0 s ALA 87 Cb -0.16 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2bs0 s ALA 87 CO 0.06 -1.02 -0.06 -1.64 0.00 0.00 0.00 175.76 173.09 2bs0 s MET 88 N 1.67 2.65 -0.13 0.00 -1.94 0.99 -5.01 119.30 117.54 2bs0 s MET 88 Ca -0.01 -0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 2bs0 s MET 88 Cb -0.17 -2.55 0.04 0.00 2.01 0.00 0.00 34.83 34.16 2bs0 s MET 88 CO -0.07 0.63 -0.01 0.15 -0.01 0.00 0.00 175.02 175.71 2bs0 s LYS 89 N -1.14 0.95 -0.31 2.03 1.02 -1.26 -1.35 119.74 119.68 2bs0 s LYS 89 Ca 0.15 -0.23 -0.05 0.00 0.02 0.00 0.00 55.97 55.87 2bs0 s LYS 89 Cb -0.11 -1.60 0.04 0.00 -0.52 0.00 0.00 37.83 35.64 2bs0 s LYS 89 CO 0.05 -0.41 0.05 -1.17 -0.92 0.00 0.00 175.35 172.95 2bs0 s LEU 90 N 1.82 3.99 -0.27 3.17 2.96 -0.42 -4.97 118.68 124.97 2bs0 s LEU 90 Ca 0.02 -1.08 -0.12 0.00 -0.22 0.00 0.00 54.13 52.73 2bs0 s LEU 90 Cb -0.14 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 2bs0 s LEU 90 CO -0.07 -0.26 0.25 -0.89 -1.32 0.00 0.00 176.35 174.06 2bs0 s THR 91 N 1.36 5.27 -0.14 3.68 2.01 -1.26 -0.58 115.64 125.99 2bs0 s THR 91 Ca -0.02 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2bs0 s THR 91 Cb -0.19 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.76 2bs0 s THR 91 CO 0.01 0.23 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.42 2bs0 s ILE 92 N 1.77 1.41 0.47 1.82 1.01 -0.29 -4.97 121.20 122.43 2bs0 s ILE 92 Ca 0.10 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 2bs0 s ILE 92 Cb -0.16 -1.35 -0.08 0.00 0.01 0.00 0.00 42.46 40.88 2bs0 s ILE 92 CO 0.10 0.43 1.18 -2.65 0.00 0.00 0.00 174.94 174.00 2bs0 n PRO 93 N 4.82 1.61 0.00 2.79 -0.02 -1.26 -1.18 135.00 141.77 2bs0 n PRO 93 Ca -0.16 0.58 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 2bs0 n PRO 93 Cb 0.50 -2.30 0.05 0.00 -0.02 0.00 0.00 33.50 31.73 2bs0 n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2bs0 n ILE 94 N -0.62 1.66 1.14 4.25 -5.35 1.00 -1.73 119.36 119.72 2bs0 n ILE 94 Ca 0.09 0.42 0.13 0.00 -0.27 0.00 0.00 62.75 63.11 2bs0 n ILE 94 Cb 0.41 -1.38 0.40 0.00 -1.74 0.00 0.00 39.64 37.33 2bs0 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2bs0 n PHE 95 N -1.45 0.00 -2.17 4.28 3.72 -1.26 -4.89 117.46 115.69 2bs0 n PHE 95 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2bs0 n PHE 95 Cb 0.02 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 2bs0 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bs0 s ALA 96 N -2.77 3.60 0.74 4.37 0.00 -0.71 -5.02 121.76 121.98 2bs0 s ALA 96 Ca 0.18 1.00 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 2bs0 s ALA 96 Cb 0.19 -3.59 0.11 0.00 0.00 0.00 0.00 23.12 19.82 2bs0 s ALA 96 CO 0.59 -0.85 1.04 0.95 0.00 0.00 0.00 175.76 177.49 2bs0 s THR 97 N 2.03 2.22 0.31 0.00 -4.23 -1.26 -4.86 115.64 109.85 2bs0 s THR 97 Ca 0.65 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 2bs0 s THR 97 Cb -0.34 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 70.93 2bs0 s THR 97 CO 0.28 0.00 1.93 0.78 -0.54 0.00 0.00 174.62 177.08 2bs0 h ASN 98 N -0.70 0.90 -0.40 3.99 2.35 -1.99 -0.92 115.58 118.81 2bs0 h ASN 98 Ca -0.41 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 2bs0 h ASN 98 Cb 1.28 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 2bs0 h ASN 98 CO 0.48 0.60 0.22 0.28 -1.65 0.00 0.00 177.43 177.37 2bs0 h SER 99 N 1.03 0.49 -0.51 5.81 0.02 -1.99 0.46 113.55 118.85 2bs0 h SER 99 Ca 0.36 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 2bs0 h SER 99 Cb 0.11 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2bs0 h SER 99 CO -0.12 0.42 0.28 0.44 -1.14 0.00 0.00 176.83 176.71 2bs0 h ASP 100 N 0.51 0.42 -0.13 3.07 3.32 -1.68 -2.08 116.42 119.85 2bs0 h ASP 100 Ca 0.14 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 2bs0 h ASP 100 Cb 0.04 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2bs0 h ASP 100 CO -0.02 0.29 -0.11 0.00 -1.72 0.00 0.00 179.24 177.68 2bs0 h GLU 102 N 0.44 1.03 -0.49 0.00 5.08 -0.30 -1.18 114.58 119.17 2bs0 h GLU 102 Ca 0.08 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 2bs0 h GLU 102 Cb 0.47 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2bs0 h GLU 102 CO 0.03 0.85 -0.21 1.25 -1.00 0.00 0.00 179.01 179.93 2bs0 h LEU 103 N 1.01 1.01 -1.01 1.33 6.46 -0.80 -1.65 115.31 121.66 2bs0 h LEU 103 Ca 0.23 -0.38 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2bs0 h LEU 103 Cb 0.22 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.82 2bs0 h LEU 103 CO -0.02 1.17 0.67 0.40 -0.62 0.00 0.00 178.44 180.05 2bs0 h ILE 104 N 0.86 1.24 -0.23 4.05 2.04 -0.83 0.15 117.51 124.79 2bs0 h ILE 104 Ca 0.11 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2bs0 h ILE 104 Cb 0.78 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2bs0 h ILE 104 CO 0.06 0.25 0.07 0.58 0.00 0.00 0.00 178.15 179.11 2bs0 h VAL 105 N 1.35 1.20 -0.93 1.67 2.07 -0.94 -2.06 116.25 118.61 2bs0 h VAL 105 Ca 0.37 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.32 2bs0 h VAL 105 Cb -0.13 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 2bs0 h VAL 105 CO -0.09 0.20 0.60 0.11 0.02 0.00 0.00 177.57 178.42 2bs0 h LYS 106 N 0.20 1.06 -0.80 1.57 1.57 -0.67 -0.43 116.57 119.08 2bs0 h LYS 106 Ca 0.07 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2bs0 h LYS 106 Cb 0.25 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2bs0 h LYS 106 CO -0.00 0.70 0.49 0.00 -0.57 0.00 0.00 179.45 180.07 2bs0 h ALA 107 N 1.49 1.02 -0.44 3.86 0.00 -0.63 0.63 119.26 125.19 2bs0 h ALA 107 Ca 0.39 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 2bs0 h ALA 107 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2bs0 h ALA 107 CO -0.14 0.48 -0.19 0.52 0.00 0.00 0.00 179.25 179.93 2bs0 h MET 108 N 1.10 0.86 -0.55 0.00 2.86 -0.53 -1.77 114.93 116.90 2bs0 h MET 108 Ca 0.29 -0.34 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 2bs0 h MET 108 Cb -0.05 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2bs0 h MET 108 CO -0.06 0.98 -0.06 1.96 1.06 0.00 0.00 176.91 180.79 2bs0 h GLN 109 N 0.76 1.01 -0.47 1.72 4.20 -0.60 -2.92 115.11 118.82 2bs0 h GLN 109 Ca 0.11 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.38 2bs0 h GLN 109 Cb 0.71 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2bs0 h GLN 109 CO 0.05 1.04 -0.05 0.78 -0.67 0.00 0.00 178.83 179.98 2bs0 h GLY 110 N 0.89 0.87 0.78 3.46 0.00 -0.74 -0.75 103.07 107.58 2bs0 h GLY 110 Ca 0.15 -0.62 0.05 0.00 0.00 0.00 0.00 47.33 46.91 2bs0 h GLY 110 CO 0.04 0.57 0.56 -2.00 0.00 0.00 0.00 176.54 175.71 2bs0 h LEU 111 N 0.74 0.90 -2.13 3.11 5.85 -1.14 -2.80 115.31 119.84 2bs0 h LEU 111 Ca 0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2bs0 h LEU 111 Cb 0.52 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2bs0 h LEU 111 CO 0.03 0.59 0.00 0.18 -0.34 0.00 0.00 178.44 178.90 2bs0 n LEU 112 N -4.57 3.23 -4.77 2.25 4.77 -1.09 -4.37 117.00 112.45 2bs0 n LEU 112 Ca 0.12 -1.28 -0.41 0.00 -0.03 0.00 0.00 56.01 54.41 2bs0 n LEU 112 Cb 0.15 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2bs0 n LEU 112 CO 0.32 0.64 1.10 1.17 -1.33 0.00 0.00 177.39 179.29 2bs0 n LYS 113 N 1.40 2.49 -1.67 3.23 4.81 -0.31 -4.81 118.16 123.31 2bs0 n LYS 113 Ca 0.17 0.88 -0.46 0.00 -0.87 0.00 0.00 58.31 58.03 2bs0 n LYS 113 Cb 0.60 -2.63 -0.04 0.00 0.02 0.00 0.00 35.03 32.97 2bs0 n LYS 113 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2bs0 n ASP 114 N 0.25 3.18 0.00 3.14 2.03 -1.26 -2.16 116.55 121.72 2bs0 n ASP 114 Ca 0.03 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.40 2bs0 n ASP 114 Cb 0.40 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 2bs0 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bs0 n GLY 115 N 3.63 2.30 3.89 0.27 0.00 -1.26 -5.08 105.19 108.94 2bs0 n GLY 115 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2bs0 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bs0 s ASN 116 N -1.43 6.19 0.11 1.61 0.01 -0.92 -4.92 114.94 115.59 2bs0 s ASN 116 Ca 0.00 1.08 -0.22 0.00 -0.71 0.00 0.00 52.86 53.01 2bs0 s ASN 116 Cb 0.00 -2.28 -0.06 0.00 0.41 0.00 0.00 41.25 39.32 2bs0 s ASN 116 CO 0.00 -0.73 1.38 -0.65 -1.51 0.00 0.00 177.10 175.59 2bs0 h PRO 117 N -0.01 -0.08 0.15 -0.60 0.11 -1.89 -2.42 132.00 127.26 2bs0 h PRO 117 Ca -0.46 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2bs0 h PRO 117 Cb 1.20 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 2bs0 h PRO 117 CO 0.62 -0.06 -0.40 0.82 -0.21 0.00 0.00 178.00 178.77 2bs0 h ILE 118 N -0.09 0.19 -0.03 4.15 1.08 -1.95 -0.60 117.51 120.25 2bs0 h ILE 118 Ca 0.09 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.52 2bs0 h ILE 118 Cb 0.33 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 2bs0 h ILE 118 CO -0.58 0.00 -0.18 1.55 -0.69 0.00 0.00 178.15 178.25 2bs0 h PRO 119 N -0.65 0.05 -0.31 2.37 0.13 -1.75 -1.95 132.00 129.89 2bs0 h PRO 119 Ca 0.02 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2bs0 h PRO 119 Cb 0.67 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2bs0 h PRO 119 CO -0.22 0.23 -0.31 0.77 -0.23 0.00 0.00 178.00 178.24 2bs0 h SER 120 N 0.05 0.68 0.12 1.44 0.02 -1.01 -1.24 113.55 113.61 2bs0 h SER 120 Ca 0.01 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2bs0 h SER 120 Cb 0.35 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2bs0 h SER 120 CO 0.02 0.95 -0.06 0.00 -1.14 0.00 0.00 176.83 176.60 2bs0 h ALA 121 N 1.10 -0.16 -0.27 3.77 0.00 -0.72 -2.92 119.26 120.06 2bs0 h ALA 121 Ca 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2bs0 h ALA 121 Cb 0.81 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2bs0 h ALA 121 CO 0.07 -0.38 -0.01 0.82 0.00 0.00 0.00 179.25 179.75 2bs0 h ILE 122 N -0.59 0.79 0.00 0.00 2.04 -1.34 -0.57 117.51 117.85 2bs0 h ILE 122 Ca -0.02 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2bs0 h ILE 122 Cb 0.46 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2bs0 h ILE 122 CO 0.03 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.19 2bs0 h ALA 123 N 1.24 1.00 -0.28 1.87 0.00 -1.28 -2.34 119.26 119.47 2bs0 h ALA 123 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bs0 h ALA 123 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bs0 h ALA 123 CO -0.23 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.02 2bs0 n ALA 124 N -1.88 2.79 -3.61 0.00 0.00 -0.74 -4.96 120.51 112.11 2bs0 n ALA 124 Ca -0.01 -2.01 -0.27 0.00 0.00 0.00 0.00 53.44 51.15 2bs0 n ALA 124 Cb 0.13 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 18.96 2bs0 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bs0 n ASN 125 N -0.25 -4.74 -4.47 0.00 3.02 -0.88 -4.95 115.26 102.99 2bs0 n ASN 125 Ca 0.19 -0.59 -0.26 0.00 -0.03 0.00 0.00 54.58 53.89 2bs0 n ASN 125 Cb 0.77 -3.82 -0.10 0.00 -0.61 0.00 0.00 39.78 36.03 2bs0 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2bs0 s SER 126 N -3.04 3.10 0.00 6.41 0.01 -0.30 -5.05 113.70 114.84 2bs0 s SER 126 Ca 0.54 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2bs0 s SER 126 Cb -0.27 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2bs0 s SER 126 CO 0.66 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2bs0 n GLY 127 N -0.90 4.43 3.78 3.44 0.00 -1.26 -4.23 105.19 110.44 2bs0 n GLY 127 Ca -0.07 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 2bs0 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs0 s ILE 128 N 1.80 5.30 0.00 -0.61 -1.09 -1.26 -4.80 121.20 120.54 2bs0 s ILE 128 Ca 0.00 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 2bs0 s ILE 128 Cb 0.00 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2bs0 s ILE 128 CO 0.00 0.48 0.00 0.00 -1.23 0.00 0.00 174.94 174.19