#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bss s ILE 1 N 0.00 4.96 -0.04 2.02 -4.36 -1.26 -5.08 121.20 117.43 2bss s ILE 1 Ca 0.00 0.93 0.03 0.00 -0.26 0.00 0.00 60.65 61.35 2bss s ILE 1 Cb 0.00 -3.76 0.01 0.00 1.25 0.00 0.00 42.46 39.96 2bss s ILE 1 CO 0.00 0.57 -0.12 -1.10 0.24 0.00 0.00 174.94 174.53 2bss s GLN 2 N -1.09 1.41 -0.15 0.37 -0.21 -1.26 -4.52 119.66 114.21 2bss s GLN 2 Ca 0.25 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.22 2bss s GLN 2 Cb -0.17 -1.23 0.03 0.00 1.00 0.00 0.00 33.01 32.63 2bss s GLN 2 CO 0.15 0.11 -0.10 1.03 -2.12 0.00 0.00 175.29 174.36 2bss s ARG 3 N 0.34 1.87 0.45 2.91 0.52 0.20 -4.96 118.95 120.30 2bss s ARG 3 Ca -0.08 -0.52 -0.23 0.00 -0.52 0.00 0.00 55.73 54.38 2bss s ARG 3 Cb -0.12 -2.01 -0.08 0.00 0.52 0.00 0.00 34.95 33.27 2bss s ARG 3 CO 0.02 -0.32 1.15 -0.08 0.02 0.00 0.00 175.30 176.09 2bss s THR 4 N 1.56 3.19 0.33 0.02 -1.32 -1.26 -1.64 115.64 116.51 2bss s THR 4 Ca 0.03 0.89 -0.27 0.00 -1.21 0.00 0.00 61.69 61.13 2bss s THR 4 Cb -0.14 -3.45 -0.09 0.00 -1.51 0.00 0.00 72.50 67.31 2bss s THR 4 CO -0.09 -0.01 1.06 -2.16 -2.21 0.00 0.00 174.62 171.21 2bss s PRO 5 N -2.69 4.45 0.18 7.08 0.04 -1.26 -4.39 135.00 138.41 2bss s PRO 5 Ca 0.63 1.65 -0.18 0.00 0.04 0.00 0.00 61.00 63.14 2bss s PRO 5 Cb -0.28 -2.91 -0.08 0.00 0.04 0.00 0.00 34.50 31.28 2bss s PRO 5 CO 0.34 0.08 0.65 0.15 0.04 0.00 0.00 177.00 178.26 2bss s LYS 6 N -1.89 4.16 -0.03 4.56 1.02 0.96 -4.89 119.74 123.63 2bss s LYS 6 Ca 0.50 0.74 0.03 0.00 0.02 0.00 0.00 55.97 57.25 2bss s LYS 6 Cb -0.27 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2bss s LYS 6 CO 0.34 0.46 -0.10 0.42 -0.92 0.00 0.00 175.35 175.55 2bss s ILE 7 N -1.44 0.88 -0.04 2.17 1.01 -1.26 -1.64 121.20 120.88 2bss s ILE 7 Ca 0.39 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2bss s ILE 7 Cb -0.17 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.54 2bss s ILE 7 CO 0.20 0.28 -0.01 -1.10 0.00 0.00 0.00 174.94 174.31 2bss s GLN 8 N 0.30 0.42 -0.15 2.79 -0.21 -0.72 -4.99 119.66 117.10 2bss s GLN 8 Ca -0.05 0.05 0.01 0.00 0.02 0.00 0.00 55.36 55.39 2bss s GLN 8 Cb -0.10 -0.60 0.00 0.00 1.00 0.00 0.00 33.01 33.31 2bss s GLN 8 CO 0.01 -0.15 -0.18 0.54 -2.12 0.00 0.00 175.29 173.40 2bss s VAL 9 N 1.13 2.44 0.29 1.09 0.11 -1.26 -0.11 120.40 124.09 2bss s VAL 9 Ca -0.08 -0.85 -0.20 0.00 -2.93 0.00 0.00 61.98 57.93 2bss s VAL 9 Cb -0.14 -2.01 0.05 0.00 -1.53 0.00 0.00 36.38 32.75 2bss s VAL 9 CO -0.02 0.53 0.82 -0.72 -3.33 0.00 0.00 175.10 172.38 2bss s TYR 10 N 0.83 -0.02 0.18 1.54 1.13 -0.27 -4.55 117.35 116.20 2bss s TYR 10 Ca -0.05 -0.49 0.06 0.00 -1.41 0.00 0.00 57.07 55.17 2bss s TYR 10 Cb -0.15 0.75 -0.04 0.00 -1.10 0.00 0.00 41.96 41.42 2bss s TYR 10 CO -0.01 -1.27 0.12 -1.54 -2.51 0.00 0.00 175.55 170.34 2bss s SER 11 N -3.05 5.37 0.11 -0.18 1.04 -1.26 0.13 113.70 115.86 2bss s SER 11 Ca 0.14 -0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.20 2bss s SER 11 Cb -0.05 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 2bss s SER 11 CO 0.08 0.05 1.60 -0.09 0.98 0.00 0.00 173.24 175.86 2bss h ARG 12 N 2.31 0.54 -6.12 4.02 2.43 -1.56 -3.45 114.38 112.55 2bss h ARG 12 Ca -0.48 -0.14 -0.59 0.00 -0.81 0.00 0.00 59.98 57.97 2bss h ARG 12 Cb 1.21 -0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.57 2bss h ARG 12 CO 0.62 0.61 -0.67 -1.01 -1.51 0.00 0.00 179.97 178.00 2bss s HIS 13 N -5.25 2.50 0.33 2.20 3.76 -1.26 -5.05 115.29 112.52 2bss s HIS 13 Ca -0.13 -0.36 -0.28 0.00 -0.15 0.00 0.00 55.06 54.14 2bss s HIS 13 Cb 0.09 -1.26 -0.12 0.00 1.11 0.00 0.00 32.58 32.40 2bss s HIS 13 CO 0.75 0.60 1.32 -2.30 -0.85 0.00 0.00 174.74 174.26 2bss n PRO 14 N -0.83 2.16 -1.88 8.40 -0.02 -1.26 -4.87 135.00 136.70 2bss n PRO 14 Ca -0.05 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2bss n PRO 14 Cb 0.61 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 2bss n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bss s ALA 15 N -0.93 3.75 -0.26 3.55 0.00 -1.26 -4.99 121.76 121.63 2bss s ALA 15 Ca 0.57 1.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.83 2bss s ALA 15 Cb -0.57 -3.68 0.09 0.00 0.00 0.00 0.00 23.12 18.96 2bss s ALA 15 CO 0.60 -0.98 0.13 -2.00 0.00 0.00 0.00 175.76 173.51 2bss s GLU 16 N 1.97 0.16 0.16 0.00 2.12 -1.26 -5.11 118.70 116.73 2bss s GLU 16 Ca 0.74 -0.38 -0.32 0.00 0.36 0.00 0.00 54.97 55.37 2bss s GLU 16 Cb -0.43 -1.32 -0.17 0.00 0.26 0.00 0.00 34.13 32.47 2bss s GLU 16 CO 0.32 -0.92 0.83 0.09 -0.54 0.00 0.00 175.26 175.05 2bss n ASN 17 N 5.26 -0.15 0.00 -1.70 3.02 -1.26 -0.26 115.26 120.16 2bss n ASN 17 Ca -0.06 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 2bss n ASN 17 Cb 0.44 -1.04 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 2bss n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bss n GLY 18 N 1.80 2.24 3.63 7.41 0.00 0.72 -4.97 105.19 116.02 2bss n GLY 18 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2bss n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bss s LYS 19 N -0.03 3.98 0.46 1.61 2.20 0.63 -4.97 119.74 123.62 2bss s LYS 19 Ca 0.00 -0.34 -0.24 0.00 -0.36 0.00 0.00 55.97 55.03 2bss s LYS 19 Cb 0.00 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 2bss s LYS 19 CO 0.00 0.22 1.26 0.45 -0.36 0.00 0.00 175.35 176.92 2bss n SER 20 N 3.72 2.42 -0.45 1.43 2.88 -1.26 -4.08 113.62 118.27 2bss n SER 20 Ca -0.16 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 2bss n SER 20 Cb 0.52 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2bss n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bss n ASN 21 N -0.07 0.00 -3.90 -3.46 2.85 0.11 -4.97 115.26 105.83 2bss n ASN 21 Ca 0.08 -0.45 -0.19 0.00 -0.11 0.00 0.00 54.58 53.90 2bss n ASN 21 Cb 0.41 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.27 2bss n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2bss s PHE 22 N -5.06 0.67 -0.16 1.20 0.40 -1.26 -1.27 117.98 112.51 2bss s PHE 22 Ca 0.00 -0.17 -0.16 0.00 -0.60 0.00 0.00 56.93 56.00 2bss s PHE 22 Cb 0.00 -0.60 -0.04 0.00 0.51 0.00 0.00 43.02 42.89 2bss s PHE 22 CO 0.00 -0.16 0.39 -1.17 0.70 0.00 0.00 175.22 174.99 2bss s LEU 23 N 0.79 4.22 0.02 -0.37 2.96 0.71 -1.26 118.68 125.75 2bss s LEU 23 Ca -0.10 0.62 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 2bss s LEU 23 Cb -0.13 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 2bss s LEU 23 CO 0.00 0.00 -0.20 0.20 -1.32 0.00 0.00 176.35 175.03 2bss s ASN 24 N 0.72 3.60 -0.22 3.68 0.01 0.34 -1.65 114.94 121.41 2bss s ASN 24 Ca 0.21 -0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 51.91 2bss s ASN 24 Cb -0.14 -0.54 0.06 0.00 0.41 0.00 0.00 41.25 41.04 2bss s ASN 24 CO 0.07 0.28 0.01 0.00 -1.51 0.00 0.00 177.10 175.95 2bss s TYR 26 N 1.65 3.20 -0.14 0.00 5.04 0.84 -0.98 117.35 126.96 2bss s TYR 26 Ca -0.02 -0.53 -0.04 0.00 -2.44 0.00 0.00 57.07 54.04 2bss s TYR 26 Cb -0.18 -2.40 -0.03 0.00 0.35 0.00 0.00 41.96 39.70 2bss s TYR 26 CO -0.09 -0.46 -0.01 0.14 -1.34 0.00 0.00 175.55 173.79 2bss s VAL 27 N 1.63 4.15 0.25 3.14 -7.23 -0.62 -1.76 120.40 119.96 2bss s VAL 27 Ca 0.05 -0.28 -0.08 0.00 -1.81 0.00 0.00 61.98 59.86 2bss s VAL 27 Cb -0.17 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.95 2bss s VAL 27 CO 0.07 0.52 0.39 -0.94 -0.31 0.00 0.00 175.10 174.83 2bss s SER 28 N 0.04 0.15 -0.44 4.85 1.04 -0.65 -0.69 113.70 118.00 2bss s SER 28 Ca 0.02 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2bss s SER 28 Cb -0.13 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2bss s SER 28 CO 0.02 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2bss n GLY 29 N -0.39 0.59 3.95 7.32 0.00 -0.52 -0.03 105.19 116.11 2bss n GLY 29 Ca -0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 2bss n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bss s PHE 30 N -1.77 3.44 -0.28 1.61 -0.71 -1.17 -4.53 117.98 114.56 2bss s PHE 30 Ca 0.00 0.03 -0.21 0.00 -1.04 0.00 0.00 56.93 55.71 2bss s PHE 30 Cb 0.00 -1.60 0.11 0.00 -1.21 0.00 0.00 43.02 40.32 2bss s PHE 30 CO 0.00 0.48 0.90 -1.58 -1.34 0.00 0.00 175.22 173.68 2bss s HIS 31 N -1.88 -0.66 1.29 3.49 2.46 -0.65 -1.00 115.29 118.34 2bss s HIS 31 Ca 0.34 1.46 -0.21 0.00 0.47 0.00 0.00 55.06 57.11 2bss s HIS 31 Cb -0.10 0.39 0.32 0.00 -0.13 0.00 0.00 32.58 33.06 2bss s HIS 31 CO 0.28 -0.32 1.08 -1.25 -2.47 0.00 0.00 174.74 172.06 2bss s PRO 32 N 0.78 -1.89 0.39 2.88 0.04 -1.26 -0.62 135.00 135.31 2bss s PRO 32 Ca -0.03 -0.17 0.21 0.00 0.04 0.00 0.00 61.00 61.05 2bss s PRO 32 Cb -0.05 -1.53 0.60 0.00 0.04 0.00 0.00 34.50 33.57 2bss s PRO 32 CO -0.09 -4.13 1.69 0.66 0.04 0.00 0.00 177.00 175.16 2bss h SER 33 N -2.88 0.00 -2.28 6.66 4.64 -1.99 -3.45 113.55 114.25 2bss h SER 33 Ca -0.42 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.34 2bss h SER 33 Cb 1.29 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.41 2bss h SER 33 CO 0.27 0.30 1.10 0.47 -0.87 0.00 0.00 176.83 178.10 2bss n ASP 34 N -3.33 3.75 -3.63 4.97 8.00 -1.26 -4.95 116.55 120.10 2bss n ASP 34 Ca 0.01 0.98 -0.16 0.00 0.71 0.00 0.00 54.79 56.33 2bss n ASP 34 Cb 0.53 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.09 2bss n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2bss s ILE 35 N 3.33 0.03 -0.18 0.53 2.07 -1.26 -4.66 121.20 121.06 2bss s ILE 35 Ca 0.87 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.90 2bss s ILE 35 Cb -0.57 -0.82 0.01 0.00 0.13 0.00 0.00 42.46 41.22 2bss s ILE 35 CO 0.43 -0.11 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.57 2bss s GLU 36 N -1.18 3.10 -0.10 3.50 2.02 -0.44 -4.98 118.70 120.62 2bss s GLU 36 Ca -0.12 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.10 2bss s GLU 36 Cb -0.02 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.59 2bss s GLU 36 CO 0.07 -0.14 -0.11 0.08 0.02 0.00 0.00 175.26 175.19 2bss s VAL 37 N 1.16 1.15 -0.04 2.63 1.01 -1.26 0.01 120.40 125.06 2bss s VAL 37 Ca 0.01 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2bss s VAL 37 Cb -0.14 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2bss s VAL 37 CO -0.07 0.38 -0.21 -1.81 0.00 0.00 0.00 175.10 173.39 2bss s ASP 38 N 1.24 2.52 -0.17 3.32 1.01 0.60 -4.97 116.67 120.21 2bss s ASP 38 Ca -0.03 -0.41 -0.13 0.00 0.71 0.00 0.00 52.55 52.68 2bss s ASP 38 Cb -0.14 -0.62 -0.05 0.00 1.01 0.00 0.00 42.92 43.13 2bss s ASP 38 CO -0.03 0.20 0.28 -0.76 0.21 0.00 0.00 175.17 175.07 2bss s LEU 39 N -0.13 4.22 -0.04 1.23 1.43 -1.26 0.08 118.68 124.21 2bss s LEU 39 Ca -0.01 0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2bss s LEU 39 Cb -0.12 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 2bss s LEU 39 CO 0.02 0.09 -0.16 -0.76 0.23 0.00 0.00 176.35 175.77 2bss s LEU 40 N 0.58 2.62 -0.25 1.79 1.43 0.33 0.73 118.68 125.90 2bss s LEU 40 Ca 0.15 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2bss s LEU 40 Cb -0.13 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.61 2bss s LEU 40 CO 0.04 0.34 -0.08 -0.75 0.23 0.00 0.00 176.35 176.12 2bss s LYS 41 N -0.71 2.65 -1.41 1.70 2.20 0.45 -1.60 119.74 123.02 2bss s LYS 41 Ca 0.11 -1.09 -0.09 0.00 -0.36 0.00 0.00 55.97 54.55 2bss s LYS 41 Cb -0.11 -2.93 0.05 0.00 -1.51 0.00 0.00 37.83 33.34 2bss s LYS 41 CO 0.00 -0.45 0.62 0.09 -0.36 0.00 0.00 175.35 175.26 2bss n ASN 42 N 4.60 -4.70 0.00 1.43 3.02 0.73 -1.28 115.26 119.06 2bss n ASN 42 Ca -0.16 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 2bss n ASN 42 Cb 0.46 -3.82 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 2bss n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bss n GLY 43 N -1.38 2.42 3.82 7.41 0.00 -1.26 -5.03 105.19 111.17 2bss n GLY 43 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2bss n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bss s GLU 44 N -0.62 3.74 0.19 1.61 0.41 -0.40 -5.01 118.70 118.61 2bss s GLU 44 Ca 0.00 -0.14 -0.33 0.00 -0.41 0.00 0.00 54.97 54.09 2bss s GLU 44 Cb 0.00 -3.28 -0.13 0.00 -1.78 0.00 0.00 34.13 28.94 2bss s GLU 44 CO 0.00 0.59 1.60 -2.13 -0.49 0.00 0.00 175.26 174.83 2bss n ARG 45 N 2.56 2.33 -2.95 1.61 0.63 -1.26 -0.41 116.66 119.17 2bss n ARG 45 Ca -0.18 0.84 -0.40 0.00 -0.92 0.00 0.00 57.85 57.19 2bss n ARG 45 Cb 0.54 -2.62 -0.05 0.00 0.45 0.00 0.00 32.46 30.77 2bss n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2bss s ILE 46 N 0.84 4.52 0.57 5.15 1.01 0.22 -4.83 121.20 128.68 2bss s ILE 46 Ca 0.76 1.72 -0.02 0.00 0.00 0.00 0.00 60.65 63.11 2bss s ILE 46 Cb -0.62 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 37.72 2bss s ILE 46 CO 0.38 0.44 0.83 -1.61 0.00 0.00 0.00 174.94 174.97 2bss s GLU 47 N -0.59 2.67 -0.56 2.79 2.02 -1.26 -4.64 118.70 119.13 2bss s GLU 47 Ca 0.38 -0.45 -0.16 0.00 0.02 0.00 0.00 54.97 54.77 2bss s GLU 47 Cb -0.22 -2.39 0.02 0.00 0.10 0.00 0.00 34.13 31.64 2bss s GLU 47 CO 0.25 -0.72 0.64 1.63 0.02 0.00 0.00 175.26 177.08 2bss n LYS 48 N -2.45 -1.93 -3.88 1.61 5.02 -1.26 -5.02 118.16 110.26 2bss n LYS 48 Ca 0.06 1.64 -0.26 0.00 -2.02 0.00 0.00 58.31 57.72 2bss n LYS 48 Cb 0.59 -4.41 -0.17 0.00 -0.02 0.00 0.00 35.03 31.02 2bss n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2bss s VAL 49 N -2.49 0.91 0.43 -0.18 1.01 -1.26 -4.80 120.40 114.01 2bss s VAL 49 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2bss s VAL 49 Cb -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2bss s VAL 49 CO 0.81 0.31 0.66 -1.61 0.00 0.00 0.00 175.10 175.26 2bss s GLU 50 N 1.75 3.25 0.01 2.72 2.02 -0.60 -4.89 118.70 122.96 2bss s GLU 50 Ca 0.04 -0.33 -0.05 0.00 0.02 0.00 0.00 54.97 54.65 2bss s GLU 50 Cb -0.13 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 2bss s GLU 50 CO -0.08 -0.15 0.09 -3.38 0.02 0.00 0.00 175.26 171.76 2bss s HIS 51 N -2.52 0.12 0.96 1.61 -3.43 -1.26 -0.87 115.29 109.90 2bss s HIS 51 Ca 0.46 -0.29 -0.12 0.00 -0.80 0.00 0.00 55.06 54.30 2bss s HIS 51 Cb -0.10 -0.10 0.16 0.00 -1.43 0.00 0.00 32.58 31.12 2bss s HIS 51 CO 0.38 -0.27 1.10 -1.54 -2.00 0.00 0.00 174.74 172.41 2bss s SER 52 N -1.52 2.97 0.16 7.38 1.04 -0.13 -4.97 113.70 118.63 2bss s SER 52 Ca -0.14 1.25 -0.26 0.00 0.48 0.00 0.00 55.95 57.29 2bss s SER 52 Cb -0.07 -1.92 -0.08 0.00 0.10 0.00 0.00 66.02 64.05 2bss s SER 52 CO 0.00 -2.92 0.79 -1.81 0.98 0.00 0.00 173.24 170.28 2bss s ASP 53 N -3.51 7.39 -0.03 7.02 1.01 -1.26 -4.72 116.67 122.58 2bss s ASP 53 Ca 0.65 1.65 -0.38 0.00 0.71 0.00 0.00 52.55 55.18 2bss s ASP 53 Cb -0.18 -2.51 -0.16 0.00 1.01 0.00 0.00 42.92 41.08 2bss s ASP 53 CO 0.57 0.18 1.49 -0.11 0.21 0.00 0.00 175.17 177.51 2bss n LEU 54 N 1.73 1.99 -4.21 1.23 7.94 -1.26 -4.95 117.00 119.47 2bss n LEU 54 Ca -0.05 1.10 -0.16 0.00 -1.11 0.00 0.00 56.01 55.79 2bss n LEU 54 Cb 0.49 -1.19 -0.07 0.00 0.53 0.00 0.00 43.42 43.17 2bss n LEU 54 CO 0.47 -0.79 -0.06 -0.55 -1.11 0.00 0.00 177.39 175.34 2bss s SER 55 N 1.55 1.12 0.10 1.96 0.15 -1.24 -5.06 113.70 112.29 2bss s SER 55 Ca 0.89 -1.59 -0.08 0.00 0.70 0.00 0.00 55.95 55.87 2bss s SER 55 Cb -0.97 0.55 -0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2bss s SER 55 CO 0.52 -1.09 0.19 0.72 1.20 0.00 0.00 173.24 174.79 2bss s PHE 56 N -3.50 0.20 0.63 3.44 -0.12 -1.26 -2.10 117.98 115.27 2bss s PHE 56 Ca 0.37 -0.63 -0.01 0.00 -0.05 0.00 0.00 56.93 56.61 2bss s PHE 56 Cb 0.02 -0.08 0.13 0.00 -0.63 0.00 0.00 43.02 42.46 2bss s PHE 56 CO 0.22 -0.56 0.86 0.43 -0.05 0.00 0.00 175.22 176.13 2bss n SER 57 N -0.07 1.04 -0.21 1.98 7.64 0.33 -4.91 113.62 119.42 2bss n SER 57 Ca -0.14 -1.91 0.13 0.00 1.01 0.00 0.00 58.87 57.96 2bss n SER 57 Cb 0.62 -0.57 0.43 0.00 -1.01 0.00 0.00 64.21 63.68 2bss n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2bss h LYS 58 N 0.00 0.57 -0.52 1.43 1.57 -2.03 0.14 116.57 117.73 2bss h LYS 58 Ca -0.28 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2bss h LYS 58 Cb 1.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2bss h LYS 58 CO 0.29 0.38 0.00 -0.40 -0.57 0.00 0.00 179.45 179.15 2bss n ASP 59 N -4.51 1.93 0.00 0.86 5.75 -1.26 -4.89 116.55 114.43 2bss n ASP 59 Ca 0.15 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 2bss n ASP 59 Cb 0.46 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2bss n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2bss n TRP 60 N 0.24 0.00 -2.39 2.11 7.02 0.50 -4.99 117.44 119.92 2bss n TRP 60 Ca 0.09 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.20 2bss n TRP 60 Cb 0.38 -0.37 -0.02 0.00 -2.42 0.00 0.00 31.31 28.87 2bss n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2bss s SER 61 N -3.05 6.49 0.49 -0.99 1.04 -1.26 -4.64 113.70 111.79 2bss s SER 61 Ca 0.00 2.20 -0.09 0.00 0.48 0.00 0.00 55.95 58.54 2bss s SER 61 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2bss s SER 61 CO 0.00 -0.68 0.85 -0.36 0.98 0.00 0.00 173.24 174.03 2bss s PHE 62 N -1.57 3.54 -0.06 5.02 0.08 -0.17 -0.51 117.98 124.32 2bss s PHE 62 Ca 0.60 1.03 -0.13 0.00 0.12 0.00 0.00 56.93 58.55 2bss s PHE 62 Cb -0.26 -2.47 0.02 0.00 -0.57 0.00 0.00 43.02 39.74 2bss s PHE 62 CO 0.32 -0.33 0.30 1.52 -0.10 0.00 0.00 175.22 176.93 2bss s TYR 63 N -2.73 -0.23 -0.02 0.36 -0.85 -0.89 -1.44 117.35 111.55 2bss s TYR 63 Ca 0.51 0.47 -0.11 0.00 -0.52 0.00 0.00 57.07 57.42 2bss s TYR 63 Cb -0.10 0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.34 2bss s TYR 63 CO 0.42 -0.29 0.24 -0.51 -1.52 0.00 0.00 175.55 173.89 2bss s LEU 64 N -0.72 1.14 -0.21 -3.49 1.43 0.14 -3.58 118.68 113.38 2bss s LEU 64 Ca -0.08 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2bss s LEU 64 Cb -0.04 0.98 0.01 0.00 0.03 0.00 0.00 46.19 47.16 2bss s LEU 64 CO 0.02 -0.35 -0.10 -0.22 0.23 0.00 0.00 176.35 175.93 2bss s LEU 65 N -1.06 2.66 -0.14 1.79 2.96 -1.26 -1.59 118.68 122.03 2bss s LEU 65 Ca -0.11 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.19 2bss s LEU 65 Cb -0.05 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2bss s LEU 65 CO 0.03 -0.03 0.02 -0.31 -1.32 0.00 0.00 176.35 174.73 2bss s TYR 66 N 1.39 3.17 0.06 5.38 1.51 -0.15 -0.96 117.35 127.75 2bss s TYR 66 Ca 0.05 0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 56.02 2bss s TYR 66 Cb -0.14 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2bss s TYR 66 CO -0.07 0.22 0.24 1.52 -1.11 0.00 0.00 175.55 176.35 2bss s TYR 67 N -0.08 0.01 -0.07 2.71 1.13 -0.05 0.15 117.35 121.16 2bss s TYR 67 Ca 0.05 -0.28 -0.19 0.00 -1.41 0.00 0.00 57.07 55.24 2bss s TYR 67 Cb -0.13 0.02 0.04 0.00 -1.10 0.00 0.00 41.96 40.80 2bss s TYR 67 CO 0.02 -0.51 0.44 -0.08 -2.51 0.00 0.00 175.55 172.91 2bss s THR 68 N -3.03 0.03 0.41 -3.49 -1.32 -0.66 -1.56 115.64 106.01 2bss s THR 68 Ca -0.02 -0.22 -0.24 0.00 -1.21 0.00 0.00 61.69 60.00 2bss s THR 68 Cb 0.01 -0.70 -0.09 0.00 -1.51 0.00 0.00 72.50 70.21 2bss s THR 68 CO -0.06 -0.12 1.09 -0.70 -2.21 0.00 0.00 174.62 172.62 2bss s GLU 69 N -0.78 4.09 -0.03 7.08 2.12 -1.26 -0.21 118.70 129.70 2bss s GLU 69 Ca -0.09 1.62 -0.29 0.00 0.36 0.00 0.00 54.97 56.57 2bss s GLU 69 Cb -0.03 -2.56 0.09 0.00 0.26 0.00 0.00 34.13 31.89 2bss s GLU 69 CO 0.04 -0.23 0.78 -0.59 -0.54 0.00 0.00 175.26 174.72 2bss s PHE 70 N -1.59 -0.51 -0.36 5.30 -0.71 -0.39 -4.82 117.98 114.91 2bss s PHE 70 Ca 0.58 0.69 0.01 0.00 -1.04 0.00 0.00 56.93 57.17 2bss s PHE 70 Cb -0.25 0.47 0.10 0.00 -1.21 0.00 0.00 43.02 42.13 2bss s PHE 70 CO 0.31 -0.58 0.10 0.99 -1.34 0.00 0.00 175.22 174.70 2bss s THR 71 N -2.01 2.70 0.71 -4.49 2.01 -1.26 0.07 115.64 113.37 2bss s THR 71 Ca -0.03 -2.15 -0.16 0.00 0.31 0.00 0.00 61.69 59.66 2bss s THR 71 Cb -0.00 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.65 2bss s THR 71 CO 0.00 -0.58 1.25 -0.81 -0.69 0.00 0.00 174.62 173.80 2bss n PRO 72 N 4.41 0.73 -1.86 4.92 -0.04 -1.26 -4.71 135.00 137.20 2bss n PRO 72 Ca -0.00 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2bss n PRO 72 Cb 0.42 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2bss n PRO 72 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bss n THR 73 N -2.48 0.00 -0.04 0.52 -2.24 -1.26 -0.20 114.28 108.58 2bss n THR 73 Ca 0.15 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.89 2bss n THR 73 Cb 0.49 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 2bss n THR 73 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2bss n GLU 74 N 0.00 0.66 -0.04 -0.78 4.07 -1.26 -4.57 120.64 118.72 2bss n GLU 74 Ca 0.00 0.08 -0.03 0.00 -0.06 0.00 0.00 57.16 57.15 2bss n GLU 74 Cb 0.00 -1.65 -0.02 0.00 -0.06 0.00 0.00 31.44 29.71 2bss n GLU 74 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 2bss h LYS 75 N 0.00 -0.02 -6.25 5.31 2.10 -2.02 -3.47 116.57 112.23 2bss h LYS 75 Ca -0.32 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.64 2bss h LYS 75 Cb 1.85 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 33.22 2bss h LYS 75 CO 0.04 0.15 0.60 -0.25 -2.00 0.00 0.00 179.45 177.99 2bss n ASP 76 N -4.77 1.95 -4.84 7.07 8.00 -1.26 -4.99 116.55 117.71 2bss n ASP 76 Ca -0.02 1.10 -0.34 0.00 0.71 0.00 0.00 54.79 56.24 2bss n ASP 76 Cb 0.09 -1.19 -0.06 0.00 -0.02 0.00 0.00 41.12 39.93 2bss n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bss s GLU 77 N 1.40 3.28 0.06 -1.24 0.41 -1.26 -4.76 118.70 116.60 2bss s GLU 77 Ca 0.88 -0.32 0.05 0.00 -0.41 0.00 0.00 54.97 55.17 2bss s GLU 77 Cb -0.97 -3.03 -0.03 0.00 -1.78 0.00 0.00 34.13 28.33 2bss s GLU 77 CO 0.52 0.70 -0.15 0.71 -0.49 0.00 0.00 175.26 176.55 2bss s TYR 78 N -1.15 1.26 0.30 1.61 2.02 -1.26 -0.20 117.35 119.93 2bss s TYR 78 Ca 0.21 -0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.34 2bss s TYR 78 Cb -0.12 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.74 2bss s TYR 78 CO 0.11 0.06 0.62 0.00 -1.57 0.00 0.00 175.55 174.77 2bss s ALA 79 N -1.12 -0.51 -0.08 3.71 0.00 -0.63 0.31 121.76 123.44 2bss s ALA 79 Ca -0.00 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2bss s ALA 79 Cb -0.09 0.93 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2bss s ALA 79 CO 0.02 -0.93 -0.15 0.00 0.00 0.00 0.00 175.76 174.70 2bss s ARG 81 N 0.69 3.40 -0.07 0.00 3.52 0.11 -0.40 118.95 126.20 2bss s ARG 81 Ca -0.13 -0.63 0.05 0.00 -0.13 0.00 0.00 55.73 54.89 2bss s ARG 81 Cb -0.16 -2.92 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 2bss s ARG 81 CO 0.03 -0.08 -0.24 0.08 -0.81 0.00 0.00 175.30 174.29 2bss s VAL 82 N 1.16 2.14 -0.08 7.11 1.01 0.16 -0.29 120.40 131.60 2bss s VAL 82 Ca 0.02 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2bss s VAL 82 Cb -0.14 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2bss s VAL 82 CO -0.01 0.57 -0.18 0.20 0.00 0.00 0.00 175.10 175.68 2bss s ASN 83 N 0.01 3.68 -0.10 3.32 0.01 0.10 -0.47 114.94 121.50 2bss s ASN 83 Ca -0.08 -0.35 -0.30 0.00 -0.71 0.00 0.00 52.86 51.42 2bss s ASN 83 Cb -0.15 -1.08 0.07 0.00 0.41 0.00 0.00 41.25 40.50 2bss s ASN 83 CO 0.05 0.25 0.69 -2.28 -1.51 0.00 0.00 177.10 174.31 2bss s HIS 84 N -0.20 -0.68 0.50 2.20 2.46 -1.26 -1.33 115.29 116.97 2bss s HIS 84 Ca -0.01 1.29 0.32 0.00 0.47 0.00 0.00 55.06 57.14 2bss s HIS 84 Cb -0.13 0.38 1.44 0.00 -0.13 0.00 0.00 32.58 34.14 2bss s HIS 84 CO 0.03 -0.55 1.76 -0.24 -2.47 0.00 0.00 174.74 173.27 2bss h VAL 85 N 3.21 0.38 0.00 0.89 3.04 -1.96 0.94 116.25 122.75 2bss h VAL 85 Ca -0.27 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 2bss h VAL 85 Cb 1.14 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2bss h VAL 85 CO 0.31 0.02 0.00 0.71 -1.01 0.00 0.00 177.57 177.60 2bss h THR 86 N 0.11 0.00 -3.44 3.17 1.35 -1.92 -3.43 112.91 108.74 2bss h THR 86 Ca 0.62 -0.60 -0.60 0.00 -0.55 0.00 0.00 66.41 65.28 2bss h THR 86 Cb 2.21 1.57 -0.11 0.00 -1.73 0.00 0.00 68.15 70.09 2bss h THR 86 CO -0.12 0.00 -0.27 -0.76 -0.25 0.00 0.00 175.52 174.12 2bss s LEU 87 N -5.90 4.17 0.11 3.87 1.43 0.32 -4.95 118.68 117.74 2bss s LEU 87 Ca 0.04 0.47 0.23 0.00 -1.03 0.00 0.00 54.13 53.83 2bss s LEU 87 Cb 0.08 -2.43 0.91 0.00 0.03 0.00 0.00 46.19 44.78 2bss s LEU 87 CO 0.56 -0.01 1.71 -1.54 0.23 0.00 0.00 176.35 177.30 2bss n SER 88 N 4.21 0.35 -3.55 2.29 3.41 -1.26 -4.65 113.62 114.41 2bss n SER 88 Ca -0.10 0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 58.92 2bss n SER 88 Cb 0.51 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 2bss n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bss s GLN 89 N -3.10 0.84 -0.10 4.33 -2.07 -1.26 -5.13 119.66 113.17 2bss s GLN 89 Ca 0.09 0.23 -0.38 0.00 -1.82 0.00 0.00 55.36 53.48 2bss s GLN 89 Cb 0.12 0.40 -0.15 0.00 -1.09 0.00 0.00 33.01 32.29 2bss s GLN 89 CO 0.44 -0.26 1.63 -2.30 -1.32 0.00 0.00 175.29 173.48 2bss n PRO 90 N 0.89 1.39 -3.29 9.60 -0.02 -1.26 -4.93 135.00 137.38 2bss n PRO 90 Ca -0.15 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.46 2bss n PRO 90 Cb 0.57 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 2bss n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2bss s LYS 91 N 2.47 4.33 -0.20 -0.52 2.20 0.39 -4.86 119.74 123.55 2bss s LYS 91 Ca 0.92 0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 56.97 2bss s LYS 91 Cb -0.95 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 31.93 2bss s LYS 91 CO 0.56 0.12 -0.10 0.42 -0.36 0.00 0.00 175.35 175.99 2bss s ILE 92 N 0.73 2.91 -0.21 5.43 1.01 -1.26 0.36 121.20 130.17 2bss s ILE 92 Ca 0.26 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 2bss s ILE 92 Cb -0.15 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 2bss s ILE 92 CO 0.11 0.47 -0.06 -0.69 0.00 0.00 0.00 174.94 174.77 2bss s VAL 93 N 1.33 3.34 0.43 2.92 1.01 0.46 -4.94 120.40 124.95 2bss s VAL 93 Ca 0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 2bss s VAL 93 Cb -0.14 -2.50 -0.10 0.00 0.00 0.00 0.00 36.38 33.64 2bss s VAL 93 CO -0.06 0.44 0.98 -0.54 0.00 0.00 0.00 175.10 175.93 2bss s LYS 94 N 1.29 4.15 0.14 2.72 1.02 -1.26 -0.35 119.74 127.44 2bss s LYS 94 Ca 0.03 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 2bss s LYS 94 Cb -0.14 -2.28 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 2bss s LYS 94 CO -0.02 -0.11 0.97 -0.46 -0.92 0.00 0.00 175.35 174.80 2bss s TRP 95 N -1.99 3.83 -0.28 3.18 -0.00 0.15 -4.87 118.94 118.96 2bss s TRP 95 Ca 0.61 1.81 0.00 0.00 -0.00 0.00 0.00 56.10 58.53 2bss s TRP 95 Cb -0.14 -3.06 0.08 0.00 -0.00 0.00 0.00 33.47 30.36 2bss s TRP 95 CO 0.18 0.20 0.03 0.34 -0.00 0.00 0.00 176.95 177.70 2bss s ASP 96 N -0.20 3.98 0.00 5.86 -1.08 -1.26 -4.78 116.67 119.19 2bss s ASP 96 Ca 0.46 -1.49 -0.01 0.00 -0.52 0.00 0.00 52.55 51.00 2bss s ASP 96 Cb -0.24 -1.08 -0.03 0.00 -1.46 0.00 0.00 42.92 40.11 2bss s ASP 96 CO 0.30 -0.34 0.86 -2.11 0.52 0.00 0.00 175.17 174.41 2bss n ARG 97 N 4.70 0.33 -0.26 4.34 1.85 -1.26 -0.78 116.66 125.59 2bss n ARG 97 Ca -0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2bss n ARG 97 Cb 0.43 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.32 2bss n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2bss n ASP 98 N 2.51 0.00 0.00 2.89 8.00 -1.26 -4.91 116.55 123.78 2bss n ASP 98 Ca 0.05 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.53 2bss n ASP 98 Cb 0.16 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2bss n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04