#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 -0.28 -0.62 0.00 2.88 -1.26 -4.99 113.62 109.35 2bs0 n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2bs0 n SER 2 Cb 0.00 -0.14 0.33 0.00 -0.75 0.00 0.00 64.21 63.65 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 1.99 -4.11 -3.46 0.23 -1.26 -4.65 115.26 104.00 2bs0 n ASN 3 Ca 0.00 -1.60 -0.43 0.00 -0.53 0.00 0.00 54.58 52.02 2bs0 n ASN 3 Cb 0.00 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 2bs0 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2bs0 n PHE 4 N 0.46 4.01 -4.46 -2.53 -0.00 -1.26 -4.90 117.46 108.78 2bs0 n PHE 4 Ca 0.16 -2.94 -0.23 0.00 -0.00 0.00 0.00 57.45 54.44 2bs0 n PHE 4 Cb 0.44 -2.51 -0.10 0.00 -0.00 0.00 0.00 39.48 37.32 2bs0 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2bs0 s THR 5 N 3.20 2.09 0.60 -2.13 -4.23 -1.26 -4.85 115.64 109.05 2bs0 s THR 5 Ca 0.49 -2.25 -0.13 0.00 -1.18 0.00 0.00 61.69 58.62 2bs0 s THR 5 Cb 0.09 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 2bs0 s THR 5 CO -0.01 -0.35 1.03 0.00 -0.54 0.00 0.00 174.62 174.75 2bs0 s GLN 6 N -3.61 3.54 0.14 3.99 -2.07 -1.26 -4.64 119.66 115.74 2bs0 s GLN 6 Ca 0.29 0.91 -0.17 0.00 -1.82 0.00 0.00 55.36 54.57 2bs0 s GLN 6 Cb 0.00 -2.07 0.04 0.00 -1.09 0.00 0.00 33.01 29.88 2bs0 s GLN 6 CO 0.13 -0.61 0.43 -0.59 -1.32 0.00 0.00 175.29 173.34 2bs0 s PHE 7 N -2.90 -0.22 -0.30 9.60 -0.71 -0.64 -5.01 117.98 117.80 2bs0 s PHE 7 Ca 0.58 -0.09 -0.23 0.00 -1.04 0.00 0.00 56.93 56.15 2bs0 s PHE 7 Cb -0.12 0.30 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 2bs0 s PHE 7 CO 0.45 -0.74 0.78 0.54 -1.34 0.00 0.00 175.22 174.91 2bs0 s VAL 8 N -3.81 4.80 -0.07 -2.49 0.11 -1.26 -1.04 120.40 116.64 2bs0 s VAL 8 Ca 0.04 1.18 -0.24 0.00 -2.93 0.00 0.00 61.98 60.03 2bs0 s VAL 8 Cb 0.01 -4.14 -0.28 0.00 -1.53 0.00 0.00 36.38 30.44 2bs0 s VAL 8 CO -0.11 -0.24 0.91 0.25 -3.33 0.00 0.00 175.10 172.58 2bs0 h LEU 9 N 9.44 0.32 -8.00 2.54 5.85 -1.10 -3.43 115.31 120.93 2bs0 h LEU 9 Ca -0.24 -0.92 -0.68 0.00 0.84 0.00 0.00 57.88 56.88 2bs0 h LEU 9 Cb 1.10 -0.10 -0.34 0.00 0.37 0.00 0.00 40.66 41.68 2bs0 h LEU 9 CO 0.88 1.21 -0.76 -0.69 -0.34 0.00 0.00 178.44 178.75 2bs0 s VAL 10 N -2.57 2.62 -0.26 1.05 1.01 -0.70 -4.99 120.40 116.56 2bs0 s VAL 10 Ca -0.15 -1.37 -0.15 0.00 0.00 0.00 0.00 61.98 60.31 2bs0 s VAL 10 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2bs0 s VAL 10 CO 0.78 0.03 0.35 -0.62 0.00 0.00 0.00 175.10 175.64 2bs0 s ASP 11 N 1.22 6.25 -0.21 3.32 2.15 -1.26 -0.95 116.67 127.19 2bs0 s ASP 11 Ca -0.05 0.29 0.12 0.00 0.43 0.00 0.00 52.55 53.34 2bs0 s ASP 11 Cb -0.19 -2.20 0.43 0.00 -0.30 0.00 0.00 42.92 40.66 2bs0 s ASP 11 CO -0.04 -0.15 1.21 0.59 -0.17 0.00 0.00 175.17 176.60 2bs0 n ASN 12 N 5.17 2.30 -2.33 -0.34 3.02 -1.26 -5.01 115.26 116.81 2bs0 n ASN 12 Ca -0.09 -3.63 -0.04 0.00 -0.03 0.00 0.00 54.58 50.79 2bs0 n ASN 12 Cb 0.51 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 -0.86 -1.71 5.00 7.41 0.00 -1.26 -4.25 105.19 109.52 2bs0 n GLY 13 Ca 0.23 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 -0.18 0.26 3.35 -0.02 0.00 -1.26 -4.79 105.19 102.55 2bs0 n GLY 14 Ca 0.06 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2bs0 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bs0 s THR 15 N 0.00 2.87 0.00 2.61 -4.23 -1.26 -4.44 115.64 111.19 2bs0 s THR 15 Ca 0.00 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2bs0 s THR 15 Cb 0.00 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.66 2bs0 s THR 15 CO 0.00 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 2bs0 n GLY 16 N 3.45 0.70 3.76 3.99 0.00 -1.26 -4.72 105.19 111.11 2bs0 n GLY 16 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.62 6.74 -0.42 1.61 1.11 -1.26 -4.70 116.67 117.13 2bs0 s ASP 17 Ca 0.00 2.69 -0.15 0.00 0.18 0.00 0.00 52.55 55.27 2bs0 s ASP 17 Cb 0.00 -2.64 0.03 0.00 1.07 0.00 0.00 42.92 41.38 2bs0 s ASP 17 CO 0.00 -0.58 0.33 -0.69 1.18 0.00 0.00 175.17 175.41 2bs0 s VAL 18 N -0.90 5.24 -0.05 -1.27 1.01 -0.13 -4.98 120.40 119.33 2bs0 s VAL 18 Ca 0.51 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2bs0 s VAL 18 Cb -0.40 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2bs0 s VAL 18 CO 0.51 -0.37 -0.02 0.28 0.00 0.00 0.00 175.10 175.50 2bs0 s THR 19 N 1.71 4.06 0.00 3.92 -1.32 -1.26 -0.44 115.64 122.31 2bs0 s THR 19 Ca 0.05 -0.46 0.08 0.00 -1.21 0.00 0.00 61.69 60.15 2bs0 s THR 19 Cb -0.20 -2.74 -0.02 0.00 -1.51 0.00 0.00 72.50 68.03 2bs0 s THR 19 CO 0.10 0.51 -0.26 0.54 -2.21 0.00 0.00 174.62 173.30 2bs0 s VAL 20 N -0.94 2.07 0.11 5.08 0.11 -0.21 -4.33 120.40 122.28 2bs0 s VAL 20 Ca 0.15 -1.19 0.06 0.00 -2.93 0.00 0.00 61.98 58.07 2bs0 s VAL 20 Cb -0.11 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 2bs0 s VAL 20 CO 0.05 0.51 -0.15 0.00 -3.33 0.00 0.00 175.10 172.18 2bs0 s ALA 21 N -0.67 1.48 0.13 1.54 0.00 -0.79 -1.62 121.76 121.83 2bs0 s ALA 21 Ca 0.10 -1.22 -0.35 0.00 0.00 0.00 0.00 51.96 50.50 2bs0 s ALA 21 Cb -0.10 -0.11 -0.15 0.00 0.00 0.00 0.00 23.12 22.76 2bs0 s ALA 21 CO -0.00 0.16 1.42 -2.30 0.00 0.00 0.00 175.76 175.04 2bs0 n PRO 22 N 0.80 1.57 0.00 0.00 -0.02 -1.26 -1.52 135.00 134.56 2bs0 n PRO 22 Ca -0.17 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2bs0 n PRO 22 Cb 0.56 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.80 0.01 -3.62 2.55 3.41 0.64 -4.85 113.62 114.55 2bs0 n SER 23 Ca 0.17 -0.11 -0.05 0.00 -0.26 0.00 0.00 58.87 58.62 2bs0 n SER 23 Cb 0.24 0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.10 -0.15 0.00 4.04 3.84 -1.17 -4.98 114.94 116.42 2bs0 s ASN 24 Ca 0.00 0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.25 2bs0 s ASN 24 Cb 0.00 0.14 0.00 0.00 -0.55 0.00 0.00 41.25 40.84 2bs0 s ASN 24 CO 0.00 -0.13 0.89 0.33 -2.79 0.00 0.00 177.10 175.40 2bs0 n PHE 25 N 0.70 0.00 -1.88 0.43 -0.00 -1.26 -0.26 117.46 115.19 2bs0 n PHE 25 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.00 2bs0 n PHE 25 Cb 0.58 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.48 40.02 2bs0 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2bs0 s ALA 26 N 0.00 3.63 -1.64 3.13 0.00 -1.26 -2.66 121.76 122.97 2bs0 s ALA 26 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2bs0 s ALA 26 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2bs0 s ALA 26 CO 0.00 -0.91 0.00 0.09 0.00 0.00 0.00 175.76 174.94 2bs0 n ASN 27 N 1.48 -5.49 -0.26 0.00 3.02 -1.26 -2.89 115.26 109.85 2bs0 n ASN 27 Ca 0.04 -0.01 -0.03 0.00 -0.03 0.00 0.00 54.58 54.55 2bs0 n ASN 27 Cb 0.39 -4.54 -0.01 0.00 -0.61 0.00 0.00 39.78 35.00 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 -1.01 0.55 3.26 7.41 0.00 -1.09 -4.99 105.19 109.32 2bs0 n GLY 28 Ca -0.23 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.79 3.47 0.08 1.61 1.01 -1.14 -4.68 120.40 118.96 2bs0 s VAL 29 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 2bs0 s VAL 29 Cb 0.00 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 2bs0 s VAL 29 CO 0.00 -0.01 1.15 0.00 0.00 0.00 0.00 175.10 176.23 2bs0 s ALA 30 N 1.38 3.35 0.02 5.51 0.00 -0.09 -3.99 121.76 127.95 2bs0 s ALA 30 Ca -0.01 0.80 0.06 0.00 0.00 0.00 0.00 51.96 52.81 2bs0 s ALA 30 Cb -0.18 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 2bs0 s ALA 30 CO 0.00 -0.36 -0.19 -2.00 0.00 0.00 0.00 175.76 173.22 2bs0 s GLU 31 N 0.73 1.35 -0.01 0.00 2.12 0.64 -1.10 118.70 122.42 2bs0 s GLU 31 Ca 0.56 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 55.10 2bs0 s GLU 31 Cb -0.28 -1.39 -0.00 0.00 0.26 0.00 0.00 34.13 32.71 2bs0 s GLU 31 CO 0.30 0.36 -0.10 -1.58 -0.54 0.00 0.00 175.26 173.70 2bs0 s TRP 32 N -0.69 0.99 0.03 5.30 0.51 0.36 -0.26 118.94 125.19 2bs0 s TRP 32 Ca 0.06 -0.21 -0.01 0.00 -2.12 0.00 0.00 56.10 53.82 2bs0 s TRP 32 Cb -0.08 -0.66 -0.03 0.00 -0.81 0.00 0.00 33.47 31.89 2bs0 s TRP 32 CO 0.01 -0.05 -0.02 0.96 -0.51 0.00 0.00 176.95 177.35 2bs0 s ILE 33 N -0.11 0.15 0.78 2.03 -0.00 -0.58 -1.02 121.20 122.46 2bs0 s ILE 33 Ca 0.02 -1.27 -0.12 0.00 -0.00 0.00 0.00 60.65 59.28 2bs0 s ILE 33 Cb -0.06 -0.81 0.06 0.00 -0.00 0.00 0.00 42.46 41.65 2bs0 s ILE 33 CO -0.00 -0.70 1.10 -0.94 -0.00 0.00 0.00 174.94 174.40 2bs0 s SER 34 N -2.09 4.64 -1.30 4.36 1.04 -0.69 -1.89 113.70 117.78 2bs0 s SER 34 Ca -0.06 1.24 -0.14 0.00 0.48 0.00 0.00 55.95 57.47 2bs0 s SER 34 Cb -0.02 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 2bs0 s SER 34 CO -0.05 -1.86 2.29 -0.24 0.98 0.00 0.00 173.24 174.36 2bs0 n SER 35 N -3.36 4.56 -2.27 7.02 2.88 -1.26 -4.72 113.62 116.48 2bs0 n SER 35 Ca 0.07 -2.71 -0.10 0.00 -1.33 0.00 0.00 58.87 54.79 2bs0 n SER 35 Cb 0.57 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.51 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 5.78 0.30 -4.77 -3.46 4.13 -1.26 -5.08 115.26 110.89 2bs0 n ASN 36 Ca 0.56 -2.00 -0.37 0.00 1.68 0.00 0.00 54.58 54.45 2bs0 n ASN 36 Cb 0.34 0.64 -0.02 0.00 -1.54 0.00 0.00 39.78 39.20 2bs0 n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2bs0 s SER 37 N -2.10 6.37 0.55 6.41 1.04 -1.26 -4.76 113.70 119.94 2bs0 s SER 37 Ca 0.14 2.25 0.33 0.00 0.48 0.00 0.00 55.95 59.15 2bs0 s SER 37 Cb 0.01 -2.60 1.49 0.00 0.10 0.00 0.00 66.02 65.02 2bs0 s SER 37 CO 0.10 -0.78 1.85 -0.09 0.98 0.00 0.00 173.24 175.31 2bs0 h ARG 38 N 2.24 0.00 0.00 4.02 9.65 -1.97 0.16 114.38 128.49 2bs0 h ARG 38 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2bs0 h ARG 38 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2bs0 h ARG 38 CO 0.61 0.00 0.00 -1.13 2.80 0.00 0.00 179.97 182.25 2bs0 n SER 39 N -4.16 0.63 0.00 -3.80 3.41 -1.26 -3.67 113.62 104.77 2bs0 n SER 39 Ca 0.20 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 2bs0 n SER 39 Cb 1.03 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2bs0 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bs0 n GLN 40 N -2.11 -0.63 -2.32 4.33 6.02 0.46 -3.83 117.38 119.30 2bs0 n GLN 40 Ca 0.05 -0.49 -0.36 0.00 -0.01 0.00 0.00 57.00 56.19 2bs0 n GLN 40 Cb 0.37 -0.93 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.06 2.86 0.32 -1.58 0.00 -0.54 -4.81 121.76 117.95 2bs0 s ALA 41 Ca 0.00 0.83 -0.25 0.00 0.00 0.00 0.00 51.96 52.54 2bs0 s ALA 41 Cb 0.00 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2bs0 s ALA 41 CO 0.00 -0.62 0.93 0.71 0.00 0.00 0.00 175.76 176.78 2bs0 s TYR 42 N -1.69 3.68 0.02 0.00 1.51 -1.26 -4.71 117.35 114.89 2bs0 s TYR 42 Ca 0.67 1.75 0.02 0.00 -1.01 0.00 0.00 57.07 58.50 2bs0 s TYR 42 Cb -0.25 -2.89 -0.01 0.00 -0.11 0.00 0.00 41.96 38.69 2bs0 s TYR 42 CO 0.29 0.21 -0.08 0.21 -1.11 0.00 0.00 175.55 175.08 2bs0 s LYS 43 N -2.08 0.56 -0.02 -0.62 2.20 -0.94 -1.70 119.74 117.14 2bs0 s LYS 43 Ca 0.50 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 2bs0 s LYS 43 Cb -0.18 -0.47 0.01 0.00 -1.51 0.00 0.00 37.83 35.69 2bs0 s LYS 43 CO 0.23 0.11 -0.02 0.08 -0.36 0.00 0.00 175.35 175.39 2bs0 s VAL 44 N -0.70 0.29 0.04 4.02 1.01 -0.19 -0.36 120.40 124.52 2bs0 s VAL 44 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2bs0 s VAL 44 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 2bs0 s VAL 44 CO 0.00 0.14 -0.09 0.42 0.00 0.00 0.00 175.10 175.57 2bs0 s THR 45 N 0.56 0.62 -0.08 3.92 -4.23 -0.37 -0.48 115.64 115.58 2bs0 s THR 45 Ca -0.06 -1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 59.30 2bs0 s THR 45 Cb -0.09 -0.65 0.03 0.00 1.34 0.00 0.00 72.50 73.12 2bs0 s THR 45 CO -0.01 -0.31 0.31 0.00 -0.54 0.00 0.00 174.62 174.07 2bs0 s SER 47 N -0.45 -0.47 0.10 0.00 1.04 -0.82 -0.91 113.70 112.18 2bs0 s SER 47 Ca -0.06 0.37 0.08 0.00 0.48 0.00 0.00 55.95 56.82 2bs0 s SER 47 Cb -0.04 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 2bs0 s SER 47 CO 0.02 -0.62 -0.20 -0.69 0.98 0.00 0.00 173.24 172.73 2bs0 s VAL 48 N -1.71 1.61 -0.09 5.02 1.01 -1.26 -0.66 120.40 124.33 2bs0 s VAL 48 Ca -0.09 -1.49 -0.17 0.00 0.00 0.00 0.00 61.98 60.23 2bs0 s VAL 48 Cb -0.01 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.93 2bs0 s VAL 48 CO 0.04 -0.08 0.41 -0.60 0.00 0.00 0.00 175.10 174.87 2bs0 s ARG 49 N -1.86 0.63 -1.35 2.72 3.52 -0.51 -4.97 118.95 117.13 2bs0 s ARG 49 Ca 0.05 0.25 -0.11 0.00 -0.13 0.00 0.00 55.73 55.79 2bs0 s ARG 49 Cb -0.10 0.29 0.12 0.00 -1.56 0.00 0.00 34.95 33.70 2bs0 s ARG 49 CO 0.04 -0.14 2.06 0.94 -0.81 0.00 0.00 175.30 177.39 2bs0 n GLN 50 N 2.01 3.45 -0.25 5.12 -0.06 -1.26 0.32 117.38 126.71 2bs0 n GLN 50 Ca -0.17 -3.19 -0.09 0.00 -2.00 0.00 0.00 57.00 51.55 2bs0 n GLN 50 Cb 0.57 -3.01 -0.08 0.00 -4.06 0.00 0.00 30.24 23.66 2bs0 n GLN 50 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2bs0 h SER 51 N 5.72 -1.59 -4.45 1.69 4.64 -1.82 -3.43 113.55 114.30 2bs0 h SER 51 Ca 0.48 0.23 -0.11 0.00 -0.47 0.00 0.00 61.79 61.92 2bs0 h SER 51 Cb 0.60 0.69 0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2bs0 h SER 51 CO 1.71 -0.22 -0.01 -0.24 -0.87 0.00 0.00 176.83 177.20 2bs0 n SER 52 N -4.73 0.46 0.17 4.97 2.88 -1.21 -4.96 113.62 111.20 2bs0 n SER 52 Ca 0.00 -1.34 0.05 0.00 -1.33 0.00 0.00 58.87 56.25 2bs0 n SER 52 Cb 0.22 -0.11 0.22 0.00 -0.75 0.00 0.00 64.21 63.79 2bs0 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bs0 h ALA 53 N 0.24 0.85 0.00 -1.46 0.00 -2.03 -3.33 119.26 113.53 2bs0 h ALA 53 Ca -0.07 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2bs0 h ALA 53 Cb 0.29 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 17.82 2bs0 h ALA 53 CO 0.09 0.51 -0.76 1.04 0.00 0.00 0.00 179.25 180.13 2bs0 n GLN 54 N -3.36 0.71 -4.05 0.00 6.02 -1.26 -5.03 117.38 110.40 2bs0 n GLN 54 Ca 0.01 -2.53 -0.10 0.00 -0.01 0.00 0.00 57.00 54.37 2bs0 n GLN 54 Cb 0.60 -0.75 -0.11 0.00 1.02 0.00 0.00 30.24 31.00 2bs0 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2bs0 s ASN 55 N -2.51 0.57 -0.01 1.08 0.02 -1.25 -2.24 114.94 110.60 2bs0 s ASN 55 Ca 0.34 -0.68 0.05 0.00 -1.02 0.00 0.00 52.86 51.56 2bs0 s ASN 55 Cb 0.36 0.10 -0.01 0.00 0.02 0.00 0.00 41.25 41.72 2bs0 s ASN 55 CO -0.11 -0.36 -0.18 -0.13 0.02 0.00 0.00 177.10 176.34 2bs0 s ARG 56 N -2.30 1.42 -0.09 -0.60 0.52 -0.65 -2.53 118.95 114.73 2bs0 s ARG 56 Ca -0.06 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 2bs0 s ARG 56 Cb -0.04 -1.38 0.01 0.00 0.52 0.00 0.00 34.95 34.06 2bs0 s ARG 56 CO -0.03 0.38 -0.14 0.21 0.02 0.00 0.00 175.30 175.74 2bs0 s LYS 57 N -0.45 1.97 -0.10 3.54 2.20 0.15 -1.23 119.74 125.82 2bs0 s LYS 57 Ca 0.07 -0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 55.09 2bs0 s LYS 57 Cb -0.07 -1.68 -0.05 0.00 -1.51 0.00 0.00 37.83 34.53 2bs0 s LYS 57 CO -0.01 -0.04 0.25 0.71 -0.36 0.00 0.00 175.35 175.90 2bs0 s TYR 58 N 0.91 3.60 -0.21 4.03 1.51 0.10 -1.42 117.35 125.87 2bs0 s TYR 58 Ca -0.09 0.67 0.01 0.00 -1.01 0.00 0.00 57.07 56.65 2bs0 s TYR 58 Cb -0.15 -2.14 0.04 0.00 -0.11 0.00 0.00 41.96 39.60 2bs0 s TYR 58 CO 0.00 0.58 -0.12 0.99 -1.11 0.00 0.00 175.55 175.89 2bs0 s THR 59 N -0.65 1.83 -0.03 -0.71 2.01 0.17 -1.45 115.64 116.81 2bs0 s THR 59 Ca 0.17 -1.14 0.07 0.00 0.31 0.00 0.00 61.69 61.10 2bs0 s THR 59 Cb -0.14 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 2bs0 s THR 59 CO 0.06 0.19 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.31 2bs0 s ILE 60 N 1.31 1.93 0.01 1.82 1.01 -0.54 -1.94 121.20 124.81 2bs0 s ILE 60 Ca -0.02 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.62 2bs0 s ILE 60 Cb -0.17 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 2bs0 s ILE 60 CO -0.08 0.54 -0.05 -0.54 0.00 0.00 0.00 174.94 174.81 2bs0 s LYS 61 N -0.41 0.35 -0.02 2.79 1.02 -0.46 -1.03 119.74 121.98 2bs0 s LYS 61 Ca 0.05 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 55.69 2bs0 s LYS 61 Cb -0.11 -0.23 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 2bs0 s LYS 61 CO 0.01 0.05 -0.06 0.08 -0.92 0.00 0.00 175.35 174.51 2bs0 s VAL 62 N -0.62 0.53 -0.22 3.17 1.01 -0.25 -1.23 120.40 122.79 2bs0 s VAL 62 Ca -0.04 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2bs0 s VAL 62 Cb -0.05 -0.49 0.04 0.00 0.00 0.00 0.00 36.38 35.88 2bs0 s VAL 62 CO -0.00 0.18 -0.15 -1.61 0.00 0.00 0.00 175.10 173.52 2bs0 s GLU 63 N 0.21 2.67 -0.28 2.72 2.02 0.52 -0.90 118.70 125.65 2bs0 s GLU 63 Ca -0.02 -1.06 -0.06 0.00 0.02 0.00 0.00 54.97 53.85 2bs0 s GLU 63 Cb -0.07 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.43 2bs0 s GLU 63 CO -0.00 -0.38 0.06 0.08 0.02 0.00 0.00 175.26 175.04 2bs0 s VAL 64 N 1.21 3.85 0.26 2.63 1.01 -0.45 -2.22 120.40 126.70 2bs0 s VAL 64 Ca -0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 2bs0 s VAL 64 Cb -0.16 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2bs0 s VAL 64 CO -0.09 0.14 0.50 -2.16 0.00 0.00 0.00 175.10 173.49 2bs0 s PRO 65 N 1.49 3.58 -0.52 2.72 0.04 -1.26 -0.30 135.00 140.75 2bs0 s PRO 65 Ca 0.03 -0.14 -0.05 0.00 0.04 0.00 0.00 61.00 60.88 2bs0 s PRO 65 Cb -0.17 -2.72 0.14 0.00 0.04 0.00 0.00 34.50 31.79 2bs0 s PRO 65 CO 0.01 0.28 0.35 0.21 0.04 0.00 0.00 177.00 177.89 2bs0 s LYS 66 N -3.52 2.38 0.52 4.56 2.47 -0.47 -4.98 119.74 120.69 2bs0 s LYS 66 Ca 0.42 -2.10 -0.21 0.00 -1.56 0.00 0.00 55.97 52.51 2bs0 s LYS 66 Cb -0.11 -3.75 -0.06 0.00 -1.46 0.00 0.00 37.83 32.46 2bs0 s LYS 66 CO 0.30 -1.15 1.25 0.14 0.16 0.00 0.00 175.35 176.05 2bs0 s VAL 67 N 0.70 2.62 0.27 4.02 -7.23 -1.26 0.54 120.40 120.04 2bs0 s VAL 67 Ca 0.11 0.44 -0.19 0.00 -1.81 0.00 0.00 61.98 60.54 2bs0 s VAL 67 Cb -0.22 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.52 2bs0 s VAL 67 CO -0.03 -0.02 0.64 0.00 -0.31 0.00 0.00 175.10 175.37 2bs0 s ALA 68 N -1.47 -0.94 -0.20 1.32 0.00 -0.15 -4.66 121.76 115.66 2bs0 s ALA 68 Ca 0.70 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2bs0 s ALA 68 Cb -0.33 0.91 0.02 0.00 0.00 0.00 0.00 23.12 23.72 2bs0 s ALA 68 CO 0.39 -0.97 -0.15 0.99 0.00 0.00 0.00 175.76 176.02 2bs0 s THR 69 N -3.94 2.37 -0.08 0.00 2.01 -1.26 -1.13 115.64 113.61 2bs0 s THR 69 Ca 0.14 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2bs0 s THR 69 Cb -0.04 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2bs0 s THR 69 CO 0.07 0.41 -0.07 -1.58 -0.69 0.00 0.00 174.62 172.76 2bs0 s GLN 70 N 1.30 2.87 -0.40 4.92 0.74 -0.21 -4.89 119.66 123.99 2bs0 s GLN 70 Ca 0.03 -0.55 -0.19 0.00 0.05 0.00 0.00 55.36 54.70 2bs0 s GLN 70 Cb -0.14 -2.63 0.01 0.00 1.10 0.00 0.00 33.01 31.35 2bs0 s GLN 70 CO -0.10 0.60 0.52 0.99 -0.55 0.00 0.00 175.29 176.76 2bs0 s THR 71 N -0.64 4.99 -0.28 -0.34 2.01 -1.26 -0.22 115.64 119.90 2bs0 s THR 71 Ca 0.10 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.14 2bs0 s THR 71 Cb -0.12 -4.06 0.06 0.00 0.01 0.00 0.00 72.50 68.40 2bs0 s THR 71 CO 0.02 -0.40 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.79 2bs0 s VAL 72 N 2.43 2.43 -0.85 3.82 1.01 0.11 -4.67 120.40 124.68 2bs0 s VAL 72 Ca 0.17 -1.62 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 2bs0 s VAL 72 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2bs0 s VAL 72 CO 0.15 -0.10 0.69 0.61 0.00 0.00 0.00 175.10 176.46 2bs0 n GLY 73 N 4.48 0.03 3.13 4.51 0.00 -1.26 -2.65 105.19 113.41 2bs0 n GLY 73 Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2bs0 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs0 n GLY 74 N -1.41 1.07 3.38 -0.02 0.00 -1.26 -5.00 105.19 101.95 2bs0 n GLY 74 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2bs0 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs0 s VAL 75 N -3.57 2.56 -0.04 1.61 1.01 -1.09 -5.08 120.40 115.80 2bs0 s VAL 75 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 2bs0 s VAL 75 Cb 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2bs0 s VAL 75 CO 0.00 0.58 0.59 -1.61 0.00 0.00 0.00 175.10 174.66 2bs0 s GLU 76 N -0.51 4.34 0.07 2.72 2.02 -1.26 0.05 118.70 126.14 2bs0 s GLU 76 Ca 0.07 0.70 0.06 0.00 0.02 0.00 0.00 54.97 55.81 2bs0 s GLU 76 Cb -0.11 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 2bs0 s GLU 76 CO 0.01 0.26 -0.16 -0.51 0.02 0.00 0.00 175.26 174.88 2bs0 s LEU 77 N 0.21 2.24 -0.23 1.80 1.43 0.70 -4.96 118.68 119.87 2bs0 s LEU 77 Ca 0.31 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 2bs0 s LEU 77 Cb -0.17 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.40 2bs0 s LEU 77 CO 0.16 0.00 1.07 -2.16 0.23 0.00 0.00 176.35 175.65 2bs0 s PRO 78 N -1.54 4.23 0.29 1.29 0.04 -1.26 -1.04 135.00 137.00 2bs0 s PRO 78 Ca 0.02 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.47 2bs0 s PRO 78 Cb -0.09 -3.66 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 2bs0 s PRO 78 CO 0.02 -0.67 0.20 1.33 0.04 0.00 0.00 177.00 177.92 2bs0 n VAL 79 N 5.39 0.00 -4.03 -0.36 0.24 -0.28 -4.73 118.33 114.56 2bs0 n VAL 79 Ca 0.12 -1.95 -0.34 0.00 -2.04 0.00 0.00 64.34 60.13 2bs0 n VAL 79 Cb 0.46 0.90 -0.15 0.00 -1.47 0.00 0.00 33.84 33.58 2bs0 n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bs0 s ALA 80 N -3.04 2.53 0.35 2.33 0.00 -1.25 -0.98 121.76 121.70 2bs0 s ALA 80 Ca 0.28 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 51.02 2bs0 s ALA 80 Cb 0.01 -1.43 0.74 0.00 0.00 0.00 0.00 23.12 22.45 2bs0 s ALA 80 CO 0.20 -0.50 1.90 0.00 0.00 0.00 0.00 175.76 177.36 2bs0 h ALA 81 N 7.99 1.73 -2.16 0.00 0.00 -0.18 -3.45 119.26 123.19 2bs0 h ALA 81 Ca -0.41 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.69 2bs0 h ALA 81 Cb 1.13 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 2bs0 h ALA 81 CO 0.61 0.08 0.55 1.67 0.00 0.00 0.00 179.25 182.16 2bs0 s TRP 82 N -5.72 -0.14 0.02 0.00 1.48 -1.25 -5.02 118.94 108.31 2bs0 s TRP 82 Ca -0.10 -0.10 0.04 0.00 -1.06 0.00 0.00 56.10 54.88 2bs0 s TRP 82 Cb 0.21 0.61 -0.02 0.00 -1.16 0.00 0.00 33.47 33.11 2bs0 s TRP 82 CO 0.79 -0.68 -0.11 1.03 -4.06 0.00 0.00 176.95 173.91 2bs0 s ARG 83 N -3.10 0.81 -0.11 3.25 0.52 -1.26 -1.37 118.95 117.69 2bs0 s ARG 83 Ca 0.12 -0.60 -0.05 0.00 -0.52 0.00 0.00 55.73 54.67 2bs0 s ARG 83 Cb -0.00 -0.77 -0.04 0.00 0.52 0.00 0.00 34.95 34.66 2bs0 s ARG 83 CO -0.00 0.19 0.10 0.45 0.02 0.00 0.00 175.30 176.05 2bs0 s SER 84 N -0.87 6.01 -0.11 0.23 0.15 0.59 -4.95 113.70 114.75 2bs0 s SER 84 Ca 0.01 0.36 0.03 0.00 0.70 0.00 0.00 55.95 57.04 2bs0 s SER 84 Cb -0.07 -1.87 0.01 0.00 -1.71 0.00 0.00 66.02 62.38 2bs0 s SER 84 CO 0.01 0.40 -0.20 -0.31 1.20 0.00 0.00 173.24 174.33 2bs0 s TYR 85 N -0.99 2.29 -0.17 3.44 2.02 -1.26 -1.34 117.35 121.34 2bs0 s TYR 85 Ca 0.15 -1.02 -0.03 0.00 -0.37 0.00 0.00 57.07 55.80 2bs0 s TYR 85 Cb -0.12 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 2bs0 s TYR 85 CO 0.04 -0.46 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.32 2bs0 s LEU 86 N 0.66 2.98 -0.12 -1.29 2.96 -0.08 -4.98 118.68 118.80 2bs0 s LEU 86 Ca -0.12 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2bs0 s LEU 86 Cb -0.16 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.85 2bs0 s LEU 86 CO 0.03 0.10 -0.01 0.00 -1.32 0.00 0.00 176.35 175.15 2bs0 s ALA 87 N 0.73 0.99 -0.01 5.97 0.00 -1.26 -1.09 121.76 127.08 2bs0 s ALA 87 Ca -0.03 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.54 2bs0 s ALA 87 Cb -0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2bs0 s ALA 87 CO 0.02 -0.68 -0.15 0.00 0.00 0.00 0.00 175.76 174.94 2bs0 s MET 88 N 1.85 1.29 -0.11 0.00 0.23 -0.20 -5.02 119.30 117.34 2bs0 s MET 88 Ca 0.03 -0.55 0.01 0.00 -1.03 0.00 0.00 55.69 54.15 2bs0 s MET 88 Cb -0.14 -1.23 -0.01 0.00 -1.53 0.00 0.00 34.83 31.91 2bs0 s MET 88 CO -0.07 0.32 -0.16 0.15 -2.03 0.00 0.00 175.02 173.24 2bs0 s LYS 89 N -0.31 3.19 -0.14 3.16 -0.14 -1.26 -1.46 119.74 122.77 2bs0 s LYS 89 Ca 0.05 -0.73 -0.00 0.00 -1.36 0.00 0.00 55.97 53.93 2bs0 s LYS 89 Cb -0.06 -2.53 0.03 0.00 -1.68 0.00 0.00 37.83 33.59 2bs0 s LYS 89 CO -0.00 0.27 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.59 2bs0 s LEU 90 N 0.20 1.55 -0.24 3.17 2.96 -0.53 -4.97 118.68 120.83 2bs0 s LEU 90 Ca -0.09 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 2bs0 s LEU 90 Cb -0.16 -1.01 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 2bs0 s LEU 90 CO 0.06 -0.11 0.02 -0.89 -1.32 0.00 0.00 176.35 174.10 2bs0 s THR 91 N 1.59 3.84 -0.11 3.68 2.01 -1.26 -0.72 115.64 124.67 2bs0 s THR 91 Ca 0.03 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.71 2bs0 s THR 91 Cb -0.14 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.59 2bs0 s THR 91 CO -0.09 0.36 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.35 2bs0 s ILE 92 N 1.54 2.00 0.48 1.82 1.01 -0.36 -4.96 121.20 122.73 2bs0 s ILE 92 Ca 0.06 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.50 2bs0 s ILE 92 Cb -0.15 -1.74 -0.07 0.00 0.01 0.00 0.00 42.46 40.51 2bs0 s ILE 92 CO 0.00 0.54 1.26 -2.16 0.00 0.00 0.00 174.94 174.59 2bs0 s PRO 93 N 0.49 3.56 0.36 2.79 0.04 -1.26 -1.63 135.00 139.35 2bs0 s PRO 93 Ca -0.16 2.01 0.25 0.00 0.04 0.00 0.00 61.00 63.15 2bs0 s PRO 93 Cb -0.17 -2.41 1.31 0.00 0.04 0.00 0.00 34.50 33.26 2bs0 s PRO 93 CO 0.06 -0.78 1.77 -0.84 0.04 0.00 0.00 177.00 177.25 2bs0 h ILE 94 N 1.81 0.00 -0.00 0.56 3.07 -1.79 -1.82 117.51 119.34 2bs0 h ILE 94 Ca -0.50 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 65.86 2bs0 h ILE 94 Cb 1.27 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2bs0 h ILE 94 CO 0.59 0.00 -0.04 0.49 -1.05 0.00 0.00 178.15 178.14 2bs0 n PHE 95 N -2.38 0.00 -2.38 0.16 3.72 -1.26 -4.83 117.46 110.49 2bs0 n PHE 95 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2bs0 n PHE 95 Cb 0.08 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 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 -2.36 3.55 0.88 4.37 0.00 -0.69 -5.03 121.76 122.49 2bs0 s ALA 96 Ca 0.34 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 2bs0 s ALA 96 Cb 0.21 -3.56 0.15 0.00 0.00 0.00 0.00 23.12 19.92 2bs0 s ALA 96 CO 0.44 -0.90 1.23 0.95 0.00 0.00 0.00 175.76 177.48 2bs0 s THR 97 N 2.57 2.03 0.25 0.00 -4.23 -1.26 -4.84 115.64 110.16 2bs0 s THR 97 Ca 0.58 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.96 2bs0 s THR 97 Cb -0.26 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 70.88 2bs0 s THR 97 CO 0.22 0.00 1.93 0.78 -0.54 0.00 0.00 174.62 177.01 2bs0 h ASN 98 N -1.32 1.15 0.02 3.99 2.35 -1.99 -1.44 115.58 118.34 2bs0 h ASN 98 Ca -0.44 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.20 2bs0 h ASN 98 Cb 1.27 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2bs0 h ASN 98 CO 0.47 0.84 -0.21 0.77 -1.65 0.00 0.00 177.43 177.64 2bs0 h SER 99 N 1.36 0.34 -0.53 5.81 4.64 -1.99 -0.58 113.55 122.60 2bs0 h SER 99 Ca 0.37 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.52 2bs0 h SER 99 Cb -0.15 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 2bs0 h SER 99 CO -0.08 0.57 0.09 0.44 -0.87 0.00 0.00 176.83 176.97 2bs0 h ASP 100 N 0.31 0.87 0.24 4.97 3.32 -1.64 -2.29 116.42 122.20 2bs0 h ASP 100 Ca 0.05 -0.19 -0.17 0.00 0.02 0.00 0.00 57.03 56.74 2bs0 h ASP 100 Cb 0.55 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2bs0 h ASP 100 CO 0.04 0.88 -0.66 0.00 -1.72 0.00 0.00 179.24 177.78 2bs0 h GLU 102 N 0.28 0.40 -0.78 0.00 5.08 -0.86 -1.65 114.58 117.06 2bs0 h GLU 102 Ca -0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2bs0 h GLU 102 Cb 1.21 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 2bs0 h GLU 102 CO 0.11 0.43 0.32 1.25 -1.00 0.00 0.00 179.01 180.11 2bs0 h LEU 103 N 0.40 1.07 -0.23 1.33 5.85 -1.19 -1.03 115.31 121.50 2bs0 h LEU 103 Ca 0.09 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2bs0 h LEU 103 Cb 0.25 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2bs0 h LEU 103 CO 0.00 0.94 -0.05 0.40 -0.34 0.00 0.00 178.44 179.40 2bs0 h ILE 104 N 1.13 1.28 -0.32 4.05 2.04 -1.19 -1.51 117.51 122.98 2bs0 h ILE 104 Ca 0.26 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.09 2bs0 h ILE 104 Cb 0.20 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2bs0 h ILE 104 CO -0.02 0.32 0.21 0.58 0.00 0.00 0.00 178.15 179.23 2bs0 h VAL 105 N 0.18 1.07 -0.95 1.67 2.07 -1.14 -0.90 116.25 118.25 2bs0 h VAL 105 Ca 0.06 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2bs0 h VAL 105 Cb 0.50 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2bs0 h VAL 105 CO 0.02 0.08 0.63 0.11 0.02 0.00 0.00 177.57 178.43 2bs0 h LYS 106 N 0.42 1.22 -0.49 1.57 1.57 -1.12 -0.53 116.57 119.21 2bs0 h LYS 106 Ca 0.12 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2bs0 h LYS 106 Cb -0.03 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 31.98 2bs0 h LYS 106 CO -0.04 0.81 0.21 0.00 -0.57 0.00 0.00 179.45 179.86 2bs0 h ALA 107 N 1.42 0.64 -0.24 3.86 0.00 -0.69 -0.29 119.26 123.96 2bs0 h ALA 107 Ca 0.36 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2bs0 h ALA 107 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2bs0 h ALA 107 CO -0.09 0.23 -0.14 0.52 0.00 0.00 0.00 179.25 179.77 2bs0 h MET 108 N 0.65 0.39 -0.23 0.00 2.86 -0.48 -1.13 114.93 117.00 2bs0 h MET 108 Ca 0.17 -0.11 -0.20 0.00 -2.06 0.00 0.00 59.70 57.50 2bs0 h MET 108 Cb 0.17 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.79 2bs0 h MET 108 CO -0.02 0.53 -0.65 1.96 1.06 0.00 0.00 176.91 179.79 2bs0 h GLN 109 N 0.37 0.84 -0.12 1.72 4.20 -0.70 -3.13 115.11 118.30 2bs0 h GLN 109 Ca 0.07 -0.60 -0.09 0.00 0.06 0.00 0.00 58.65 58.08 2bs0 h GLN 109 Cb 0.46 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2bs0 h GLN 109 CO 0.03 1.22 -0.34 0.78 -0.67 0.00 0.00 178.83 179.85 2bs0 h GLY 110 N 0.61 0.26 1.39 3.46 0.00 -0.76 -2.41 103.07 105.61 2bs0 h GLY 110 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2bs0 h GLY 110 CO 0.14 0.20 0.40 -2.00 0.00 0.00 0.00 176.54 175.28 2bs0 h LEU 111 N 0.21 0.72 -2.37 3.11 5.85 -1.16 -3.05 115.31 118.61 2bs0 h LEU 111 Ca 0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2bs0 h LEU 111 Cb 0.71 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2bs0 h LEU 111 CO 0.05 0.53 0.00 0.18 -0.34 0.00 0.00 178.44 178.86 2bs0 n LEU 112 N -4.43 3.07 -4.77 2.25 4.77 -1.10 -4.32 117.00 112.48 2bs0 n LEU 112 Ca 0.06 -1.61 -0.41 0.00 -0.03 0.00 0.00 56.01 54.02 2bs0 n LEU 112 Cb 0.05 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 2bs0 n LEU 112 CO 0.36 0.70 1.04 -0.75 -1.33 0.00 0.00 177.39 177.41 2bs0 s LYS 113 N -1.18 4.28 0.28 3.23 2.20 -0.93 -4.78 119.74 122.84 2bs0 s LYS 113 Ca 0.30 2.32 -0.30 0.00 -0.36 0.00 0.00 55.97 57.94 2bs0 s LYS 113 Cb 0.17 -3.05 -0.13 0.00 -1.51 0.00 0.00 37.83 33.30 2bs0 s LYS 113 CO 0.24 -0.32 1.23 -0.25 -0.36 0.00 0.00 175.35 175.89 2bs0 n ASP 114 N 1.05 2.19 0.00 1.43 8.00 -1.26 -1.91 116.55 126.05 2bs0 n ASP 114 Ca 0.02 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2bs0 n ASP 114 Cb 0.41 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 2bs0 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs0 n GLY 115 N 1.47 3.00 3.80 0.44 0.00 -1.26 -5.05 105.19 107.58 2bs0 n GLY 115 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 0.92 5.57 0.11 1.61 0.01 -0.80 -4.91 114.94 117.45 2bs0 s ASN 116 Ca 0.00 1.84 -0.21 0.00 -0.71 0.00 0.00 52.86 53.78 2bs0 s ASN 116 Cb 0.00 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 2bs0 s ASN 116 CO 0.00 -1.31 1.35 -2.65 -1.51 0.00 0.00 177.10 172.98 2bs0 n PRO 117 N -2.23 -0.30 0.26 -0.60 -0.02 -1.26 -2.73 135.00 128.12 2bs0 n PRO 117 Ca 0.09 1.33 -0.16 0.00 -2.02 0.00 0.00 63.50 62.75 2bs0 n PRO 117 Cb 0.53 -1.97 -0.08 0.00 -0.02 0.00 0.00 33.50 31.96 2bs0 n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2bs0 h ILE 118 N 0.00 0.45 0.00 4.25 2.04 -1.94 -1.73 117.51 120.58 2bs0 h ILE 118 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2bs0 h ILE 118 Cb 0.28 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2bs0 h ILE 118 CO -0.63 0.00 -0.05 1.55 0.00 0.00 0.00 178.15 179.02 2bs0 h PRO 119 N -0.67 0.00 -0.11 2.37 0.13 -1.75 -1.64 132.00 130.33 2bs0 h PRO 119 Ca -0.05 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.87 2bs0 h PRO 119 Cb 0.55 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.69 2bs0 h PRO 119 CO 0.05 0.05 -0.79 0.77 -0.23 0.00 0.00 178.00 177.85 2bs0 h SER 120 N 0.00 0.78 -0.20 1.44 0.02 -1.28 -2.20 113.55 112.12 2bs0 h SER 120 Ca -0.00 -0.52 -0.10 0.00 -0.84 0.00 0.00 61.79 60.32 2bs0 h SER 120 Cb 0.14 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2bs0 h SER 120 CO 0.01 1.31 -0.27 0.00 -1.14 0.00 0.00 176.83 176.73 2bs0 h ALA 121 N 0.68 0.30 -0.25 3.77 0.00 -0.67 -3.03 119.26 120.05 2bs0 h ALA 121 Ca -0.05 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2bs0 h ALA 121 Cb 1.40 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2bs0 h ALA 121 CO 0.15 0.30 0.13 0.82 0.00 0.00 0.00 179.25 180.65 2bs0 h ILE 122 N 0.20 1.00 0.00 0.00 2.04 -1.36 -0.27 117.51 119.12 2bs0 h ILE 122 Ca 0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2bs0 h ILE 122 Cb 0.85 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2bs0 h ILE 122 CO 0.06 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.26 2bs0 n ALA 123 N -2.21 1.42 -0.68 1.87 0.00 -0.83 -2.26 120.51 117.83 2bs0 n ALA 123 Ca -0.02 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.50 2bs0 n ALA 123 Cb 0.06 -1.20 0.15 0.00 0.00 0.00 0.00 19.45 18.45 2bs0 n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bs0 n ALA 124 N -1.57 2.40 -3.83 0.00 0.00 -0.88 -4.97 120.51 111.66 2bs0 n ALA 124 Ca 0.02 -1.96 -0.24 0.00 0.00 0.00 0.00 53.44 51.25 2bs0 n ALA 124 Cb 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.67 -1.30 -4.21 0.00 3.02 -0.96 -4.96 115.26 106.17 2bs0 n ASN 125 Ca 0.13 -0.89 -0.19 0.00 -0.03 0.00 0.00 54.58 53.61 2bs0 n ASN 125 Cb 0.59 -3.65 -0.10 0.00 -0.61 0.00 0.00 39.78 36.02 2bs0 n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2bs0 s SER 126 N -4.22 1.64 0.56 6.41 0.15 -0.16 -5.05 113.70 113.02 2bs0 s SER 126 Ca 0.10 -1.47 0.05 0.00 0.70 0.00 0.00 55.95 55.32 2bs0 s SER 126 Cb -0.05 0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.54 2bs0 s SER 126 CO 0.84 -0.78 0.39 -0.83 1.20 0.00 0.00 173.24 174.06 2bs0 s GLY 127 N -3.39 2.45 -0.08 9.45 0.00 -1.26 -4.28 107.32 110.21 2bs0 s GLY 127 Ca 0.35 -1.08 -0.18 0.00 0.00 0.00 0.00 44.72 43.82 2bs0 s GLY 127 CO 0.15 -1.98 0.48 -0.42 0.00 0.00 0.00 173.10 171.33 2bs0 s ILE 128 N -2.81 5.11 0.00 0.90 1.09 -1.26 -4.86 121.20 119.37 2bs0 s ILE 128 Ca 0.30 0.97 0.00 0.00 -1.10 0.00 0.00 60.65 60.82 2bs0 s ILE 128 Cb -0.02 -3.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.57 2bs0 s ILE 128 CO 0.19 0.39 0.00 0.00 -0.10 0.00 0.00 174.94 175.42