#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1b s ASN 16 N 0.00 1.84 0.03 1.08 6.03 -1.26 0.34 114.94 123.01 2p1b s ASN 16 Ca 0.00 -0.82 0.00 0.00 -1.03 0.00 0.00 52.86 51.01 2p1b s ASN 16 Cb 0.00 -0.05 -0.03 0.00 -3.03 0.00 0.00 41.25 38.15 2p1b s ASN 16 CO 0.00 -0.18 -0.04 -0.31 -2.03 0.00 0.00 177.10 174.54 2p1b s TYR 17 N -2.26 0.37 0.46 1.54 1.51 0.41 -4.91 117.35 114.48 2p1b s TYR 17 Ca 0.08 -0.66 -0.24 0.00 -1.01 0.00 0.00 57.07 55.24 2p1b s TYR 17 Cb -0.04 -0.26 -0.07 0.00 -0.11 0.00 0.00 41.96 41.47 2p1b s TYR 17 CO 0.02 -0.22 1.32 -1.17 -1.11 0.00 0.00 175.55 174.38 2p1b s LEU 18 N -1.85 4.07 0.14 -1.29 0.20 -1.26 0.97 118.68 119.65 2p1b s LEU 18 Ca -0.09 2.67 0.10 0.00 0.69 0.00 0.00 54.13 57.50 2p1b s LEU 18 Cb -0.05 -4.06 -0.04 0.00 -0.43 0.00 0.00 46.19 41.61 2p1b s LEU 18 CO -0.03 -1.10 -0.24 0.12 -0.29 0.00 0.00 176.35 174.81 2p1b s PHE 19 N -1.31 2.14 -0.20 5.38 5.36 -0.66 -4.63 117.98 124.06 2p1b s PHE 19 Ca 0.62 -0.39 -0.29 0.00 -0.96 0.00 0.00 56.93 55.91 2p1b s PHE 19 Cb -0.38 -1.13 0.14 0.00 -0.34 0.00 0.00 43.02 41.31 2p1b s PHE 19 CO 0.48 0.35 1.08 0.20 -1.46 0.00 0.00 175.22 175.86 2p1b s GLY 20 N -2.23 -0.18 -0.18 13.12 0.00 -1.26 -2.68 107.32 113.92 2p1b s GLY 20 Ca 0.14 2.27 -0.30 0.00 0.00 0.00 0.00 44.72 46.83 2p1b s GLY 20 CO 0.07 1.14 1.08 0.00 0.00 0.00 0.00 173.10 175.38 2p1b s GLU 22 N -1.30 2.83 -0.05 0.00 2.02 -1.26 -0.53 118.70 120.41 2p1b s GLU 22 Ca 0.02 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.39 2p1b s GLU 22 Cb -0.01 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.52 2p1b s GLU 22 CO -0.01 0.60 -0.15 -0.51 0.02 0.00 0.00 175.26 175.21 2p1b s LEU 23 N -1.99 1.81 0.52 1.80 1.43 0.03 -4.90 118.68 117.38 2p1b s LEU 23 Ca 0.24 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 2p1b s LEU 23 Cb -0.12 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.22 2p1b s LEU 23 CO 0.16 0.10 0.17 -0.54 0.23 0.00 0.00 176.35 176.47 2p1b s LYS 24 N 0.29 2.22 -0.87 1.70 1.02 -1.26 -1.60 119.74 121.24 2p1b s LYS 24 Ca -0.08 -2.22 -0.22 0.00 0.02 0.00 0.00 55.97 53.47 2p1b s LYS 24 Cb -0.13 -1.78 0.08 0.00 -0.52 0.00 0.00 37.83 35.49 2p1b s LYS 24 CO 0.03 -0.44 1.19 0.00 -0.92 0.00 0.00 175.35 175.21 2p1b s ALA 25 N -2.82 3.07 0.00 5.17 0.00 -1.18 -3.76 121.76 122.24 2p1b s ALA 25 Ca 0.19 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 49.89 2p1b s ALA 25 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2p1b s ALA 25 CO 0.11 -3.13 0.00 -0.25 0.00 0.00 0.00 175.76 172.50 2p1b n ASP 26 N 7.74 0.00 0.00 0.00 8.00 -1.26 -5.07 116.55 125.95 2p1b n ASP 26 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2p1b n ASP 26 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 2p1b n ASP 26 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2p1b n LYS 27 N -0.34 3.81 0.00 -1.24 4.81 -1.25 -5.15 118.16 118.81 2p1b n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2p1b n LYS 27 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2p1b n LYS 27 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2p1b n ASP 28 N 0.00 0.00 -4.45 3.14 9.92 -1.26 -4.91 116.55 118.99 2p1b n ASP 28 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.87 2p1b n ASP 28 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 2p1b n ASP 28 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2p1b s TYR 29 N 0.00 3.20 0.01 1.24 5.04 -0.20 -4.96 117.35 121.68 2p1b s TYR 29 Ca 0.00 -0.53 -0.21 0.00 -2.44 0.00 0.00 57.07 53.89 2p1b s TYR 29 Cb 0.00 -2.40 -0.06 0.00 0.35 0.00 0.00 41.96 39.86 2p1b s TYR 29 CO 0.00 -0.46 0.61 -1.01 -1.34 0.00 0.00 175.55 173.35 2p1b s HIS 30 N 1.63 3.70 -0.28 4.97 3.76 -1.26 -1.47 115.29 126.35 2p1b s HIS 30 Ca 0.05 1.23 -0.00 0.00 -0.15 0.00 0.00 55.06 56.18 2p1b s HIS 30 Cb -0.17 -2.61 0.08 0.00 1.11 0.00 0.00 32.58 30.99 2p1b s HIS 30 CO 0.07 0.38 0.05 0.12 -0.85 0.00 0.00 174.74 174.51 2p1b s PHE 31 N -0.30 1.91 0.00 1.40 5.36 -0.53 -5.02 117.98 120.81 2p1b s PHE 31 Ca 0.31 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.59 2p1b s PHE 31 Cb -0.19 -1.68 -0.00 0.00 -0.34 0.00 0.00 43.02 40.82 2p1b s PHE 31 CO 0.18 -0.81 -0.02 -1.59 -1.46 0.00 0.00 175.22 171.52 2p1b s LYS 32 N 1.55 0.15 -0.20 10.12 -2.85 -1.26 -1.14 119.74 126.10 2p1b s LYS 32 Ca 0.05 -0.12 -0.02 0.00 -1.00 0.00 0.00 55.97 54.88 2p1b s LYS 32 Cb -0.18 -0.10 -0.00 0.00 -2.06 0.00 0.00 37.83 35.49 2p1b s LYS 32 CO -0.17 0.03 -0.10 0.08 0.10 0.00 0.00 175.35 175.29 2p1b s VAL 33 N -0.19 2.94 -0.42 1.79 1.01 -1.26 -5.08 120.40 119.19 2p1b s VAL 33 Ca -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2p1b s VAL 33 Cb -0.02 -2.30 0.15 0.00 0.00 0.00 0.00 36.38 34.21 2p1b s VAL 33 CO -0.00 0.47 0.27 1.51 0.00 0.00 0.00 175.10 177.35 2p1b s ASP 34 N 1.31 3.00 0.71 3.32 -4.77 -1.26 -5.02 116.67 113.95 2p1b s ASP 34 Ca 0.04 -2.67 0.00 0.00 -3.30 0.00 0.00 52.55 46.61 2p1b s ASP 34 Cb -0.14 -0.73 0.00 0.00 -1.09 0.00 0.00 42.92 40.96 2p1b s ASP 34 CO -0.05 -0.24 0.00 -0.62 0.70 0.00 0.00 175.17 174.95 2p1b n GLU 39 N 3.43 0.00 0.00 2.11 1.02 -1.26 -5.33 120.64 120.61 2p1b n GLU 39 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2p1b n GLU 39 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 2p1b n GLU 39 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2p1b n HIS 40 N 11.63 0.00 -3.98 -0.32 8.25 -1.26 -4.79 115.22 124.74 2p1b n HIS 40 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2p1b n HIS 40 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 2p1b n HIS 40 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2p1b s GLN 41 N 0.00 0.37 -0.28 -0.41 2.00 -0.44 -4.44 119.66 116.47 2p1b s GLN 41 Ca 0.00 -0.68 0.01 0.00 -2.00 0.00 0.00 55.36 52.69 2p1b s GLN 41 Cb 0.00 0.14 0.05 0.00 0.80 0.00 0.00 33.01 34.00 2p1b s GLN 41 CO 0.00 -0.07 -0.06 -1.17 -0.50 0.00 0.00 175.29 173.49 2p1b s LEU 42 N -1.67 3.60 -0.40 3.68 2.96 0.34 -1.58 118.68 125.62 2p1b s LEU 42 Ca -0.12 -1.29 -0.15 0.00 -0.22 0.00 0.00 54.13 52.35 2p1b s LEU 42 Cb -0.07 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 45.00 2p1b s LEU 42 CO -0.02 -0.21 0.29 -0.55 -1.32 0.00 0.00 176.35 174.54 2p1b s SER 43 N 1.19 6.10 0.08 3.68 0.15 -0.75 0.12 113.70 124.27 2p1b s SER 43 Ca -0.06 -0.79 -0.23 0.00 0.70 0.00 0.00 55.95 55.57 2p1b s SER 43 Cb -0.20 -2.16 -0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2p1b s SER 43 CO -0.03 -0.41 0.69 -0.76 1.20 0.00 0.00 173.24 173.93 2p1b s LEU 44 N 1.71 4.51 0.00 3.45 1.43 0.18 0.39 118.68 130.35 2p1b s LEU 44 Ca 0.06 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2p1b s LEU 44 Cb -0.19 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.91 2p1b s LEU 44 CO 0.10 0.15 0.00 0.54 0.23 0.00 0.00 176.35 177.37 2p1b n ARG 45 N 2.18 0.00 -4.78 1.70 5.12 0.18 -0.76 116.66 120.30 2p1b n ARG 45 Ca -0.06 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.53 2p1b n ARG 45 Cb 0.50 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.65 2p1b n ARG 45 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2p1b s THR 46 N 0.00 2.60 -0.24 0.55 -4.23 -0.90 -0.29 115.64 113.13 2p1b s THR 46 Ca 0.00 -0.81 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 2p1b s THR 46 Cb 0.00 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 2p1b s THR 46 CO 0.00 0.53 0.32 -0.69 -0.54 0.00 0.00 174.62 174.24 2p1b s VAL 47 N 0.56 5.24 0.02 2.29 1.01 -0.42 -1.93 120.40 127.16 2p1b s VAL 47 Ca -0.10 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2p1b s VAL 47 Cb -0.16 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2p1b s VAL 47 CO 0.04 0.24 -0.04 -0.44 0.00 0.00 0.00 175.10 174.90 2p1b s SER 48 N 1.32 0.41 0.25 3.32 0.01 -0.32 -1.54 113.70 117.14 2p1b s SER 48 Ca 0.14 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 2p1b s SER 48 Cb -0.15 0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.04 2p1b s SER 48 CO 0.08 -0.18 1.01 -0.76 0.41 0.00 0.00 173.24 173.80 2p1b s LEU 49 N -1.11 4.60 0.93 2.44 1.43 -0.66 0.12 118.68 126.43 2p1b s LEU 49 Ca -0.10 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 54.97 2p1b s LEU 49 Cb -0.07 -3.62 0.15 0.00 0.03 0.00 0.00 46.19 42.68 2p1b s LEU 49 CO -0.00 0.01 1.09 -0.83 0.23 0.00 0.00 176.35 176.85 2p1b s GLY 50 N -0.95 1.60 0.59 -3.19 0.00 0.41 -4.80 107.32 100.99 2p1b s GLY 50 Ca 0.43 -0.12 0.35 0.00 0.00 0.00 0.00 44.72 45.38 2p1b s GLY 50 CO 0.36 0.41 2.20 0.00 0.00 0.00 0.00 173.10 176.07 2p1b h ALA 51 N -1.68 1.17 -0.08 3.20 0.00 -1.94 -3.03 119.26 116.90 2p1b h ALA 51 Ca -0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2p1b h ALA 51 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2p1b h ALA 51 CO 0.55 0.04 -0.11 0.41 0.00 0.00 0.00 179.25 180.14 2p1b n GLY 52 N -0.83 4.80 3.79 0.00 0.00 -1.26 -5.03 105.19 106.66 2p1b n GLY 52 Ca -0.02 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 2p1b n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p1b s ALA 53 N -2.98 2.84 0.51 4.61 0.00 -1.15 -4.70 121.76 120.88 2p1b s ALA 53 Ca 0.36 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 2p1b s ALA 53 Cb 0.32 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.09 2p1b s ALA 53 CO 0.02 -0.41 1.01 0.15 0.00 0.00 0.00 175.76 176.53 2p1b s LYS 54 N -3.27 3.82 0.00 0.00 1.02 -1.26 -4.86 119.74 115.18 2p1b s LYS 54 Ca 0.68 1.18 -0.04 0.00 0.02 0.00 0.00 55.97 57.81 2p1b s LYS 54 Cb -0.18 -2.11 -0.19 0.00 -0.52 0.00 0.00 37.83 34.84 2p1b s LYS 54 CO 0.22 -0.40 2.77 -3.47 -0.92 0.00 0.00 175.35 173.55 2p1b n ASP 55 N -1.28 3.97 -4.94 2.83 2.03 -1.26 -4.73 116.55 113.17 2p1b n ASP 55 Ca 0.08 -2.23 -0.20 0.00 0.52 0.00 0.00 54.79 52.97 2p1b n ASP 55 Cb 0.53 -1.06 -0.02 0.00 -0.72 0.00 0.00 41.12 39.86 2p1b n ASP 55 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2p1b s GLU 56 N 1.41 2.87 -0.03 -0.67 -1.05 -1.26 -4.82 118.70 115.15 2p1b s GLU 56 Ca 0.47 -1.21 -0.30 0.00 -0.15 0.00 0.00 54.97 53.78 2p1b s GLU 56 Cb 0.22 -2.64 -0.03 0.00 -0.44 0.00 0.00 34.13 31.24 2p1b s GLU 56 CO 0.00 -0.02 1.09 -1.17 0.95 0.00 0.00 175.26 176.11 2p1b s LEU 57 N -4.14 4.31 0.02 1.83 2.96 -1.26 -4.49 118.68 117.91 2p1b s LEU 57 Ca 0.46 1.74 0.04 0.00 -0.22 0.00 0.00 54.13 56.15 2p1b s LEU 57 Cb -0.08 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 2p1b s LEU 57 CO 0.30 -0.43 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.81 2p1b s HIS 58 N 1.59 2.84 -0.12 5.38 3.76 0.14 -4.28 115.29 124.60 2p1b s HIS 58 Ca 0.53 -0.08 -0.03 0.00 -0.15 0.00 0.00 55.06 55.34 2p1b s HIS 58 Cb -0.23 -1.57 0.04 0.00 1.11 0.00 0.00 32.58 31.94 2p1b s HIS 58 CO 0.24 0.37 0.04 0.42 -0.85 0.00 0.00 174.74 174.96 2p1b s ILE 59 N -1.03 0.24 -0.12 0.60 1.01 -0.45 0.04 121.20 121.50 2p1b s ILE 59 Ca 0.18 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 2p1b s ILE 59 Cb -0.11 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 2p1b s ILE 59 CO 0.09 -0.00 0.40 -0.69 0.00 0.00 0.00 174.94 174.73 2p1b s VAL 60 N 2.01 5.21 0.18 2.92 1.01 -0.69 0.64 120.40 131.67 2p1b s VAL 60 Ca 0.03 0.78 0.10 0.00 0.00 0.00 0.00 61.98 62.89 2p1b s VAL 60 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2p1b s VAL 60 CO -0.06 0.39 -0.17 -0.70 0.00 0.00 0.00 175.10 174.55 2p1b s GLU 61 N 0.31 1.78 -0.01 2.72 2.12 -0.01 -1.13 118.70 124.48 2p1b s GLU 61 Ca 0.22 -1.38 0.03 0.00 0.36 0.00 0.00 54.97 54.21 2p1b s GLU 61 Cb -0.15 -2.01 -0.01 0.00 0.26 0.00 0.00 34.13 32.23 2p1b s GLU 61 CO 0.08 0.42 -0.11 0.00 -0.54 0.00 0.00 175.26 175.12 2p1b s ALA 62 N -1.63 0.91 -0.15 6.30 0.00 -0.04 -1.60 121.76 125.55 2p1b s ALA 62 Ca 0.22 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.75 2p1b s ALA 62 Cb -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.79 2p1b s ALA 62 CO 0.12 0.20 -0.15 -2.00 0.00 0.00 0.00 175.76 173.93 2p1b s GLU 63 N -0.13 2.36 0.20 0.00 2.12 0.27 -0.52 118.70 123.00 2p1b s GLU 63 Ca 0.02 -0.59 -0.23 0.00 0.36 0.00 0.00 54.97 54.53 2p1b s GLU 63 Cb -0.06 -2.13 0.05 0.00 0.26 0.00 0.00 34.13 32.25 2p1b s GLU 63 CO -0.00 -0.22 0.79 0.00 -0.54 0.00 0.00 175.26 175.29 2p1b s ALA 64 N 1.42 -1.46 0.32 6.30 0.00 -1.03 -0.78 121.76 126.53 2p1b s ALA 64 Ca 0.04 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 2p1b s ALA 64 Cb -0.13 0.76 -0.11 0.00 0.00 0.00 0.00 23.12 23.64 2p1b s ALA 64 CO -0.10 -0.97 1.48 1.41 0.00 0.00 0.00 175.76 177.58 2p1b s MET 65 N -3.63 4.18 0.61 0.00 1.75 -1.26 -1.09 119.30 119.86 2p1b s MET 65 Ca 0.09 2.47 0.01 0.00 -1.25 0.00 0.00 55.69 57.01 2p1b s MET 65 Cb -0.03 -3.02 0.07 0.00 2.84 0.00 0.00 34.83 34.68 2p1b s MET 65 CO 0.01 -0.48 0.85 0.54 -0.65 0.00 0.00 175.02 175.29 2p1b s ASN 66 N 0.06 4.95 0.22 1.11 4.22 -1.04 -4.89 114.94 119.57 2p1b s ASN 66 Ca 0.56 -0.17 0.15 0.00 -2.14 0.00 0.00 52.86 51.26 2p1b s ASN 66 Cb -0.45 -0.53 0.80 0.00 1.28 0.00 0.00 41.25 42.35 2p1b s ASN 66 CO 0.54 -1.40 1.44 0.00 -2.04 0.00 0.00 177.10 175.64 2p1b n TYR 67 N -2.51 0.50 0.84 1.54 9.36 -1.26 -2.49 117.16 123.13 2p1b n TYR 67 Ca 0.11 0.26 0.10 0.00 3.32 0.00 0.00 57.90 61.68 2p1b n TYR 67 Cb 0.60 -0.91 0.04 0.00 -0.63 0.00 0.00 39.34 38.44 2p1b n TYR 67 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2p1b n GLU 68 N -2.01 1.63 0.00 2.98 4.71 -1.26 -5.03 120.64 121.65 2p1b n GLU 68 Ca -0.01 -1.27 0.00 0.00 -0.01 0.00 0.00 57.16 55.87 2p1b n GLU 68 Cb 0.04 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 2p1b n GLU 68 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2p1b n GLY 69 N 1.21 3.49 3.85 0.62 0.00 -1.04 -5.11 105.19 108.20 2p1b n GLY 69 Ca 0.10 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 2p1b n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2p1b s SER 70 N 0.00 6.75 0.47 1.61 0.01 -1.26 -4.73 113.70 116.54 2p1b s SER 70 Ca 0.00 1.35 -0.23 0.00 1.31 0.00 0.00 55.95 58.38 2p1b s SER 70 Cb 0.00 -2.40 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 2p1b s SER 70 CO 0.00 -0.30 1.21 -2.84 0.41 0.00 0.00 173.24 171.73 2p1b s PRO 71 N -3.26 3.66 -0.01 12.44 0.02 -1.26 -2.51 135.00 144.08 2p1b s PRO 71 Ca 0.55 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.48 2p1b s PRO 71 Cb -0.10 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 32.01 2p1b s PRO 71 CO 0.20 -0.67 -0.04 0.96 -0.33 0.00 0.00 177.00 177.12 2p1b s ILE 72 N -1.47 0.32 0.27 2.83 -4.36 -0.25 -4.89 121.20 113.65 2p1b s ILE 72 Ca 0.64 -0.15 -0.17 0.00 -0.26 0.00 0.00 60.65 60.71 2p1b s ILE 72 Cb -0.32 -0.29 -0.09 0.00 1.25 0.00 0.00 42.46 43.02 2p1b s ILE 72 CO 0.39 0.10 0.73 -0.54 0.24 0.00 0.00 174.94 175.86 2p1b s LYS 73 N 0.05 4.13 0.01 0.37 1.02 -1.26 -2.47 119.74 121.58 2p1b s LYS 73 Ca -0.00 0.77 -0.05 0.00 0.02 0.00 0.00 55.97 56.71 2p1b s LYS 73 Cb -0.03 -2.66 -0.00 0.00 -0.52 0.00 0.00 37.83 34.61 2p1b s LYS 73 CO -0.00 0.28 0.09 0.08 -0.92 0.00 0.00 175.35 174.87 2p1b s VAL 74 N -1.74 0.09 -0.16 3.17 1.01 0.32 -4.95 120.40 118.13 2p1b s VAL 74 Ca 0.48 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 2p1b s VAL 74 Cb -0.14 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2p1b s VAL 74 CO 0.19 -0.39 0.48 -0.89 0.00 0.00 0.00 175.10 174.49 2p1b s THR 75 N -1.33 5.16 -0.20 3.92 2.01 -1.26 -0.86 115.64 123.08 2p1b s THR 75 Ca -0.14 0.91 0.03 0.00 0.31 0.00 0.00 61.69 62.80 2p1b s THR 75 Cb -0.08 -3.81 -0.21 0.00 0.01 0.00 0.00 72.50 68.41 2p1b s THR 75 CO 0.01 0.26 0.04 0.18 -0.69 0.00 0.00 174.62 174.42 2p1b n LEU 76 N 4.21 2.21 -3.61 4.42 4.77 -0.28 -4.96 117.00 123.76 2p1b n LEU 76 Ca -0.06 0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.85 2p1b n LEU 76 Cb 0.51 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 2p1b n LEU 76 CO 0.42 0.80 0.84 0.00 -1.33 0.00 0.00 177.39 178.12 2p1b s ALA 77 N -2.53 -2.00 -0.17 -1.18 0.00 -1.24 -4.99 121.76 109.65 2p1b s ALA 77 Ca -0.25 1.73 -0.05 0.00 0.00 0.00 0.00 51.96 53.39 2p1b s ALA 77 Cb 0.08 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 2p1b s ALA 77 CO 0.70 -0.25 -0.00 0.99 0.00 0.00 0.00 175.76 177.20 2p1b s THR 78 N -0.49 4.18 0.08 0.00 2.01 -1.26 -1.70 115.64 118.46 2p1b s THR 78 Ca 0.02 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 61.84 2p1b s THR 78 Cb -0.03 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2p1b s THR 78 CO -0.04 0.47 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.42 2p1b s LEU 79 N 0.46 2.26 -0.23 4.42 1.43 0.11 -4.96 118.68 122.17 2p1b s LEU 79 Ca -0.01 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2p1b s LEU 79 Cb -0.14 -0.76 0.12 0.00 0.03 0.00 0.00 46.19 45.44 2p1b s LEU 79 CO 0.02 0.03 0.32 -0.75 0.23 0.00 0.00 176.35 176.21 2p1b s LYS 80 N -1.65 0.29 0.16 1.70 2.20 -0.71 0.27 119.74 121.99 2p1b s LYS 80 Ca 0.04 0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 55.98 2p1b s LYS 80 Cb -0.10 -0.71 0.19 0.00 -1.51 0.00 0.00 37.83 35.71 2p1b s LYS 80 CO 0.03 -0.63 1.00 -0.12 -0.36 0.00 0.00 175.35 175.27 2p1b n MET 81 N 5.35 -0.13 -0.21 4.03 0.00 -1.26 0.12 117.12 125.02 2p1b n MET 81 Ca -0.04 1.00 0.02 0.00 -0.00 0.00 0.00 57.70 58.67 2p1b n MET 81 Cb 0.50 -1.48 0.11 0.00 0.00 0.00 0.00 33.22 32.35 2p1b n MET 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2p1b n SER 82 N -4.98 1.99 0.08 6.12 3.41 -1.26 -4.18 113.62 114.80 2p1b n SER 82 Ca 0.08 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 2p1b n SER 82 Cb 0.28 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2p1b n SER 82 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2p1b n VAL 83 N 0.16 0.09 -3.31 -3.33 0.31 0.33 -5.06 118.33 107.53 2p1b n VAL 83 Ca 0.08 0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.34 2p1b n VAL 83 Cb 0.42 -0.64 -0.06 0.00 -0.91 0.00 0.00 33.84 32.66 2p1b n VAL 83 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2p1b s GLN 84 N -2.00 0.53 0.14 5.55 0.74 0.33 -4.95 119.66 120.00 2p1b s GLN 84 Ca 0.00 -0.21 0.07 0.00 0.05 0.00 0.00 55.36 55.27 2p1b s GLN 84 Cb 0.00 -0.37 -0.14 0.00 1.10 0.00 0.00 33.01 33.60 2p1b s GLN 84 CO 0.00 -1.10 1.31 -1.35 -0.55 0.00 0.00 175.29 173.60 2p1b h PRO 85 N 7.70 0.02 -4.74 1.67 0.11 -1.73 -1.89 132.00 133.14 2p1b h PRO 85 Ca -0.03 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.60 2p1b h PRO 85 Cb 1.11 0.01 -0.31 0.00 0.11 0.00 0.00 31.00 31.93 2p1b h PRO 85 CO 0.23 0.97 -0.79 0.99 -0.21 0.00 0.00 178.00 179.18 2p1b s THR 86 N -2.83 0.88 -0.04 -1.15 2.01 -1.26 -1.66 115.64 111.59 2p1b s THR 86 Ca 0.00 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2p1b s THR 86 Cb 0.10 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.85 2p1b s THR 86 CO 0.82 0.27 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.23 2p1b s VAL 87 N 0.10 0.90 -0.37 3.82 1.01 -0.59 -5.02 120.40 120.26 2p1b s VAL 87 Ca -0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 2p1b s VAL 87 Cb -0.08 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 35.53 2p1b s VAL 87 CO 0.01 0.29 0.14 -0.55 0.00 0.00 0.00 175.10 174.99 2p1b s SER 88 N 0.49 5.31 0.49 3.32 0.15 -1.26 -1.29 113.70 120.90 2p1b s SER 88 Ca -0.09 -1.43 0.27 0.00 0.70 0.00 0.00 55.95 55.40 2p1b s SER 88 Cb -0.13 -1.86 1.23 0.00 -1.71 0.00 0.00 66.02 63.55 2p1b s SER 88 CO 0.02 -0.41 1.96 -0.07 1.20 0.00 0.00 173.24 175.94 2p1b h LEU 89 N 8.19 0.00 -2.60 3.45 3.38 -0.91 -3.48 115.31 123.33 2p1b h LEU 89 Ca -0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 2p1b h LEU 89 Cb 1.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.84 2p1b h LEU 89 CO 0.65 0.16 -0.27 0.61 0.09 0.00 0.00 178.44 179.68 2p1b n GLY 90 N -0.27 -1.23 2.11 0.83 0.00 -1.19 -4.24 105.19 101.20 2p1b n GLY 90 Ca -0.01 0.50 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 2p1b n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p1b n GLY 91 N -1.70 0.11 3.55 -0.02 0.00 -0.12 -4.98 105.19 102.03 2p1b n GLY 91 Ca -0.05 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2p1b n GLY 91 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2p1b s PHE 92 N -3.16 2.47 -0.05 1.61 5.99 0.06 -4.67 117.98 120.22 2p1b s PHE 92 Ca 0.03 0.10 -0.25 0.00 0.00 0.00 0.00 56.93 56.81 2p1b s PHE 92 Cb -0.01 -4.53 -0.03 0.00 0.00 0.00 0.00 43.02 38.45 2p1b s PHE 92 CO 0.32 -1.81 0.77 -1.21 -0.00 0.00 0.00 175.22 173.29 2p1b s GLU 93 N 5.20 4.46 -0.06 10.12 2.02 -1.25 0.51 118.70 139.71 2p1b s GLU 93 Ca 0.37 1.01 0.03 0.00 0.02 0.00 0.00 54.97 56.39 2p1b s GLU 93 Cb -0.09 -3.45 0.01 0.00 0.10 0.00 0.00 34.13 30.70 2p1b s GLU 93 CO 0.19 0.02 -0.13 0.42 0.02 0.00 0.00 175.26 175.78 2p1b s ILE 94 N 0.89 1.18 -0.50 -1.63 1.01 0.31 -4.90 121.20 117.57 2p1b s ILE 94 Ca 0.41 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 60.26 2p1b s ILE 94 Cb -0.18 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.23 2p1b s ILE 94 CO 0.20 0.36 1.45 -0.89 0.00 0.00 0.00 174.94 176.06 2p1b s THR 95 N 0.53 3.80 1.11 2.92 2.01 -1.26 -0.50 115.64 124.25 2p1b s THR 95 Ca -0.13 0.73 -0.13 0.00 0.31 0.00 0.00 61.69 62.48 2p1b s THR 95 Cb -0.15 -4.30 0.22 0.00 0.01 0.00 0.00 72.50 68.28 2p1b s THR 95 CO 0.04 -0.98 0.83 -0.81 -0.69 0.00 0.00 174.62 173.01 2p1b n PRO 96 N 8.46 -1.85 -2.68 4.92 -0.04 -1.26 -4.62 135.00 137.93 2p1b n PRO 96 Ca 0.15 -0.50 -0.35 0.00 -0.04 0.00 0.00 63.50 62.75 2p1b n PRO 96 Cb 0.49 -2.11 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 2p1b n PRO 96 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2p1b s PRO 97 N -4.23 4.21 0.03 0.54 0.04 -1.26 -5.03 135.00 129.30 2p1b s PRO 97 Ca 0.66 1.33 0.03 0.00 0.04 0.00 0.00 61.00 63.05 2p1b s PRO 97 Cb -0.23 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 2p1b s PRO 97 CO 0.64 -0.07 -0.08 0.54 0.04 0.00 0.00 177.00 178.07 2p1b s VAL 98 N -1.86 0.62 -0.11 -0.36 0.11 -0.30 -4.71 120.40 113.80 2p1b s VAL 98 Ca 0.59 -0.87 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 2p1b s VAL 98 Cb -0.16 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 2p1b s VAL 98 CO 0.21 -0.20 0.01 -0.69 -3.33 0.00 0.00 175.10 171.10 2p1b s VAL 99 N -0.99 4.37 -0.20 2.04 1.01 0.04 -1.45 120.40 125.21 2p1b s VAL 99 Ca -0.05 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2p1b s VAL 99 Cb -0.08 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.48 2p1b s VAL 99 CO 0.00 0.57 -0.10 -0.76 0.00 0.00 0.00 175.10 174.82 2p1b s LEU 100 N -0.57 2.37 0.00 3.92 1.43 -0.54 0.93 118.68 126.22 2p1b s LEU 100 Ca 0.10 -0.93 0.05 0.00 -1.03 0.00 0.00 54.13 52.31 2p1b s LEU 100 Cb -0.12 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 2p1b s LEU 100 CO 0.02 -0.15 0.17 -2.11 0.23 0.00 0.00 176.35 174.51 2p1b n ARG 101 N 4.67 0.54 -3.86 1.70 1.85 -0.63 -1.04 116.66 119.89 2p1b n ARG 101 Ca -0.15 -3.51 -0.36 0.00 -1.00 0.00 0.00 57.85 52.84 2p1b n ARG 101 Cb 0.46 2.07 -0.14 0.00 -1.05 0.00 0.00 32.46 33.81 2p1b n ARG 101 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2p1b s LEU 102 N 0.00 3.20 0.13 2.89 1.02 -1.26 -0.83 118.68 123.83 2p1b s LEU 102 Ca 0.24 -0.47 -0.12 0.00 0.02 0.00 0.00 54.13 53.80 2p1b s LEU 102 Cb 0.01 -1.79 -0.08 0.00 0.02 0.00 0.00 46.19 44.36 2p1b s LEU 102 CO 0.17 -0.07 1.42 0.50 0.02 0.00 0.00 176.35 178.40 2p1b h LYS 103 N 8.15 0.88 -1.92 1.70 3.64 -0.13 -3.44 116.57 125.44 2p1b h LYS 103 Ca -0.38 -0.52 0.06 0.00 -1.27 0.00 0.00 60.65 58.54 2p1b h LYS 103 Cb 1.15 0.05 -0.21 0.00 -0.41 0.00 0.00 32.23 32.81 2p1b h LYS 103 CO 0.60 1.16 -0.01 0.00 -2.27 0.00 0.00 179.45 178.93 2p1b n GLY 105 N 4.78 4.45 0.14 0.00 0.00 -1.26 -1.35 105.19 111.95 2p1b n GLY 105 Ca -0.16 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 2p1b n GLY 105 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2p1b h SER 106 N 0.00 0.34 -4.05 1.61 4.64 -1.93 -3.34 113.55 110.82 2p1b h SER 106 Ca 0.00 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2p1b h SER 106 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2p1b h SER 106 CO 0.00 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 2p1b n GLY 107 N -0.62 -1.78 3.79 -0.77 0.00 -1.26 -3.11 105.19 101.44 2p1b n GLY 107 Ca -0.03 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 2p1b n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2p1b s PRO 108 N 0.00 3.25 -0.21 1.61 0.04 -1.26 -3.24 135.00 135.18 2p1b s PRO 108 Ca 0.00 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 62.35 2p1b s PRO 108 Cb 0.00 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.58 2p1b s PRO 108 CO 0.00 -0.88 -0.04 0.08 0.04 0.00 0.00 177.00 176.20 2p1b s VAL 109 N -2.29 1.31 0.44 -0.36 1.01 -0.63 0.16 120.40 120.04 2p1b s VAL 109 Ca 0.66 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 2p1b s VAL 109 Cb -0.18 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 2p1b s VAL 109 CO 0.35 -0.05 0.93 -1.00 0.00 0.00 0.00 175.10 175.32 2p1b s HIS 110 N 1.51 3.37 0.00 5.22 3.76 0.33 -0.79 115.29 128.70 2p1b s HIS 110 Ca -0.04 1.48 0.02 0.00 -0.15 0.00 0.00 55.06 56.38 2p1b s HIS 110 Cb -0.18 -2.77 -0.01 0.00 1.11 0.00 0.00 32.58 30.74 2p1b s HIS 110 CO -0.07 -0.17 -0.06 0.42 -0.85 0.00 0.00 174.74 174.01 2p1b s ILE 111 N -2.31 0.45 0.02 0.60 1.01 0.31 -1.18 121.20 120.10 2p1b s ILE 111 Ca 0.59 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2p1b s ILE 111 Cb -0.10 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 2p1b s ILE 111 CO 0.21 0.05 -0.04 -0.94 0.00 0.00 0.00 174.94 174.22 2p1b s SER 112 N -0.34 0.33 0.00 3.58 1.04 -0.82 -1.95 113.70 115.55 2p1b s SER 112 Ca 0.00 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2p1b s SER 112 Cb -0.03 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2p1b s SER 112 CO -0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2p1b n GLY 113 N 1.71 1.34 3.23 7.32 0.00 -1.09 0.48 105.19 118.18 2p1b n GLY 113 Ca -0.23 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 2p1b n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p1b s GLN 114 N 2.23 1.02 -0.32 1.61 -0.21 0.16 -1.65 119.66 122.50 2p1b s GLN 114 Ca 0.00 -1.45 -0.01 0.00 0.02 0.00 0.00 55.36 53.92 2p1b s GLN 114 Cb 0.00 -0.46 0.07 0.00 1.00 0.00 0.00 33.01 33.62 2p1b s GLN 114 CO 0.00 0.01 0.04 -1.58 -2.12 0.00 0.00 175.29 171.64 2p1b s HIS 115 N -3.46 3.38 -0.20 0.91 5.65 0.27 -1.80 115.29 120.04 2p1b s HIS 115 Ca 0.17 -2.13 -0.14 0.00 0.25 0.00 0.00 55.06 53.20 2p1b s HIS 115 Cb 0.04 -2.42 -0.04 0.00 -1.18 0.00 0.00 32.58 28.98 2p1b s HIS 115 CO 0.00 -0.86 0.33 -0.51 -0.65 0.00 0.00 174.74 173.05 2p1b s LEU 116 N 1.18 4.16 0.10 8.88 1.43 -0.61 -0.44 118.68 133.38 2p1b s LEU 116 Ca -0.01 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2p1b s LEU 116 Cb -0.20 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 2p1b s LEU 116 CO -0.03 -0.02 -0.06 -0.69 0.23 0.00 0.00 176.35 175.78 2p1b s VAL 117 N 1.15 3.62 0.00 -1.59 1.01 0.15 -1.32 120.40 123.42 2p1b s VAL 117 Ca 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2p1b s VAL 117 Cb -0.14 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2p1b s VAL 117 CO 0.07 0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.27