#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 1.21 -0.02 1.08 6.03 -1.26 -0.70 114.94 121.28 2p1b s ASN 16 Ca 0.00 -0.29 0.06 0.00 -1.03 0.00 0.00 52.86 51.60 2p1b s ASN 16 Cb 0.00 -0.10 -0.01 0.00 -3.03 0.00 0.00 41.25 38.11 2p1b s ASN 16 CO 0.00 0.05 -0.21 -0.31 -2.03 0.00 0.00 177.10 174.61 2p1b s TYR 17 N -0.53 1.88 0.24 1.54 1.51 -0.13 -4.92 117.35 116.95 2p1b s TYR 17 Ca 0.01 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.35 2p1b s TYR 17 Cb -0.05 -1.22 -0.13 0.00 -0.11 0.00 0.00 41.96 40.45 2p1b s TYR 17 CO 0.00 -0.07 1.57 -0.11 -1.11 0.00 0.00 175.55 175.83 2p1b n LEU 18 N 2.69 3.73 -4.42 -1.29 0.00 -1.26 -0.95 117.00 115.51 2p1b n LEU 18 Ca -0.16 1.12 -0.27 0.00 0.00 0.00 0.00 56.01 56.70 2p1b n LEU 18 Cb 0.53 -1.52 -0.12 0.00 0.00 0.00 0.00 43.42 42.31 2p1b n LEU 18 CO 0.24 -0.09 -0.54 0.12 0.00 0.00 0.00 177.39 177.12 2p1b s PHE 19 N 0.37 2.30 -0.07 1.96 5.36 -0.85 -4.81 117.98 122.24 2p1b s PHE 19 Ca 0.70 -0.36 -0.32 0.00 -0.96 0.00 0.00 56.93 55.99 2p1b s PHE 19 Cb -0.57 -1.16 0.12 0.00 -0.34 0.00 0.00 43.02 41.07 2p1b s PHE 19 CO 0.44 0.47 1.13 0.20 -1.46 0.00 0.00 175.22 176.00 2p1b s GLY 20 N -2.56 -0.35 -0.22 13.12 0.00 -1.26 -2.36 107.32 113.69 2p1b s GLY 20 Ca 0.20 1.09 -0.30 0.00 0.00 0.00 0.00 44.72 45.70 2p1b s GLY 20 CO 0.09 0.33 1.18 0.00 0.00 0.00 0.00 173.10 174.71 2p1b s GLU 22 N -1.22 2.97 0.03 0.00 2.12 -1.26 -2.09 118.70 119.24 2p1b s GLU 22 Ca 0.04 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 54.90 2p1b s GLU 22 Cb -0.01 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 2p1b s GLU 22 CO -0.04 0.64 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.62 2p1b s LEU 23 N -1.72 2.13 0.02 2.70 1.43 0.59 -4.93 118.68 118.91 2p1b s LEU 23 Ca 0.22 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.70 2p1b s LEU 23 Cb -0.12 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.22 2p1b s LEU 23 CO 0.13 0.16 0.35 -0.54 0.23 0.00 0.00 176.35 176.68 2p1b s LYS 24 N -0.96 0.81 0.48 1.70 1.02 -1.25 -0.55 119.74 120.99 2p1b s LYS 24 Ca 0.06 -0.35 0.32 0.00 0.02 0.00 0.00 55.97 56.02 2p1b s LYS 24 Cb -0.08 0.36 1.42 0.00 -0.52 0.00 0.00 37.83 39.01 2p1b s LYS 24 CO 0.01 -0.26 1.71 0.00 -0.92 0.00 0.00 175.35 175.89 2p1b h ALA 25 N 3.32 2.87 0.30 5.17 0.00 -1.74 -1.58 119.26 127.61 2p1b h ALA 25 Ca -0.31 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2p1b h ALA 25 Cb 1.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2p1b h ALA 25 CO 0.43 -1.35 -0.16 -0.44 0.00 0.00 0.00 179.25 177.74 2p1b h ASP 26 N 0.13 -0.40 -2.32 0.00 3.32 -1.96 -3.47 116.42 111.73 2p1b h ASP 26 Ca 0.70 0.02 -0.48 0.00 0.02 0.00 0.00 57.03 57.29 2p1b h ASP 26 Cb 2.36 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 42.01 2p1b h ASP 26 CO -0.21 -0.26 -0.41 -1.59 -1.72 0.00 0.00 179.24 175.05 2p1b s LYS 27 N -3.97 3.45 0.00 3.56 -2.85 -0.59 -5.13 119.74 114.20 2p1b s LYS 27 Ca -0.06 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.22 2p1b s LYS 27 Cb 0.01 -2.88 0.00 0.00 -2.06 0.00 0.00 37.83 32.90 2p1b s LYS 27 CO 0.20 0.42 0.00 -0.25 0.10 0.00 0.00 175.35 175.82 2p1b n ASP 28 N -1.29 0.03 -3.64 0.03 8.00 -1.26 -3.90 116.55 114.52 2p1b n ASP 28 Ca -0.08 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.34 2p1b n ASP 28 Cb 0.56 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.59 2p1b n ASP 28 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2p1b s TYR 29 N 2.54 -0.76 -0.33 1.24 5.04 -1.05 -4.92 117.35 119.11 2p1b s TYR 29 Ca 0.00 1.63 0.03 0.00 -2.44 0.00 0.00 57.07 56.29 2p1b s TYR 29 Cb 0.00 0.43 0.10 0.00 0.35 0.00 0.00 41.96 42.84 2p1b s TYR 29 CO 0.00 -0.37 0.06 -1.01 -1.34 0.00 0.00 175.55 172.89 2p1b s HIS 30 N 1.01 3.21 -0.65 4.97 3.76 -1.26 -1.98 115.29 124.35 2p1b s HIS 30 Ca -0.05 -2.66 -0.21 0.00 -0.15 0.00 0.00 55.06 51.99 2p1b s HIS 30 Cb -0.05 -2.60 0.09 0.00 1.11 0.00 0.00 32.58 31.14 2p1b s HIS 30 CO -0.12 -0.93 0.86 0.12 -0.85 0.00 0.00 174.74 173.82 2p1b s PHE 31 N 1.10 2.85 0.11 1.40 5.36 0.09 -4.95 117.98 123.94 2p1b s PHE 31 Ca 0.11 -0.80 0.03 0.00 -0.96 0.00 0.00 56.93 55.30 2p1b s PHE 31 Cb -0.19 -4.17 -0.04 0.00 -0.34 0.00 0.00 43.02 38.29 2p1b s PHE 31 CO -0.13 -1.48 -0.08 -1.59 -1.46 0.00 0.00 175.22 170.48 2p1b s LYS 32 N 3.33 0.89 -0.28 10.12 0.00 -1.26 0.06 119.74 132.60 2p1b s LYS 32 Ca 0.18 -1.32 -0.21 0.00 0.00 0.00 0.00 55.97 54.62 2p1b s LYS 32 Cb -0.19 -0.37 0.08 0.00 0.00 0.00 0.00 37.83 37.34 2p1b s LYS 32 CO 0.07 0.03 0.74 0.08 0.00 0.00 0.00 175.35 176.26 2p1b s VAL 33 N -3.28 0.00 -0.78 1.79 1.01 -1.26 -5.04 120.40 112.84 2p1b s VAL 33 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 2p1b s VAL 33 Cb 0.03 -1.00 0.20 0.00 0.00 0.00 0.00 36.38 35.61 2p1b s VAL 33 CO -0.02 0.00 0.68 1.51 0.00 0.00 0.00 175.10 177.27 2p1b s ASP 34 N 0.85 6.37 0.00 3.32 -4.77 -1.26 -4.98 116.67 116.20 2p1b s ASP 34 Ca -0.04 -2.73 0.00 0.00 -3.30 0.00 0.00 52.55 46.48 2p1b s ASP 34 Cb -0.05 -2.12 0.00 0.00 -1.09 0.00 0.00 42.92 39.66 2p1b s ASP 34 CO -0.08 -0.52 0.00 -0.62 0.70 0.00 0.00 175.17 174.65 2p1b n GLU 39 N 3.85 0.00 -1.67 2.11 1.02 -1.26 -5.27 120.64 119.42 2p1b n GLU 39 Ca 0.12 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.87 2p1b n GLU 39 Cb 0.45 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.90 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 0.00 1.57 -3.75 -0.32 8.25 -1.26 -2.32 115.22 117.39 2p1b n HIS 40 Ca 0.00 0.47 -0.12 0.00 -0.26 0.00 0.00 57.72 57.81 2p1b n HIS 40 Cb 0.00 -2.27 -0.11 0.00 1.12 0.00 0.00 29.99 28.73 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 -2.54 0.32 -0.30 -0.41 2.00 0.14 -4.66 119.66 114.22 2p1b s GLN 41 Ca 0.69 0.50 -0.08 0.00 -2.00 0.00 0.00 55.36 54.46 2p1b s GLN 41 Cb -0.46 0.08 -0.00 0.00 0.80 0.00 0.00 33.01 33.42 2p1b s GLN 41 CO 0.52 -0.09 0.11 -1.17 -0.50 0.00 0.00 175.29 174.17 2p1b s LEU 42 N 0.58 3.92 -0.44 3.68 2.96 0.74 -1.12 118.68 129.00 2p1b s LEU 42 Ca -0.03 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 2p1b s LEU 42 Cb -0.05 -1.95 0.12 0.00 0.50 0.00 0.00 46.19 44.81 2p1b s LEU 42 CO -0.03 -0.17 0.26 -0.55 -1.32 0.00 0.00 176.35 174.53 2p1b s SER 43 N 1.57 5.42 0.32 3.68 0.15 -0.66 0.72 113.70 124.91 2p1b s SER 43 Ca 0.04 -2.01 -0.28 0.00 0.70 0.00 0.00 55.95 54.40 2p1b s SER 43 Cb -0.17 -1.90 -0.09 0.00 -1.71 0.00 0.00 66.02 62.15 2p1b s SER 43 CO 0.04 -0.59 1.10 -0.76 1.20 0.00 0.00 173.24 174.23 2p1b s LEU 44 N 1.19 4.41 0.00 3.45 1.43 0.06 0.10 118.68 129.32 2p1b s LEU 44 Ca 0.08 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 2p1b s LEU 44 Cb -0.24 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.17 2p1b s LEU 44 CO -0.03 -0.29 0.00 0.54 0.23 0.00 0.00 176.35 176.80 2p1b n ARG 45 N 0.74 0.00 -4.47 1.70 5.12 -0.38 -1.27 116.66 118.10 2p1b n ARG 45 Ca 0.01 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.61 2p1b n ARG 45 Cb 0.46 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.66 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 3.64 -0.22 0.55 -4.23 -1.25 0.22 115.64 114.35 2p1b s THR 46 Ca 0.00 -0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.72 2p1b s THR 46 Cb 0.00 -2.58 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 2p1b s THR 46 CO 0.00 0.40 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.74 2p1b s VAL 47 N -0.98 3.23 -0.01 2.29 1.01 0.72 -1.49 120.40 125.16 2p1b s VAL 47 Ca 0.17 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2p1b s VAL 47 Cb -0.11 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 2p1b s VAL 47 CO 0.07 0.40 0.06 -0.94 0.00 0.00 0.00 175.10 174.69 2p1b s SER 48 N 1.45 0.02 0.33 3.32 1.04 0.50 -0.95 113.70 119.41 2p1b s SER 48 Ca 0.05 -0.06 -0.27 0.00 0.48 0.00 0.00 55.95 56.15 2p1b s SER 48 Cb -0.14 0.14 -0.09 0.00 0.10 0.00 0.00 66.02 66.03 2p1b s SER 48 CO -0.04 -0.14 1.09 -0.76 0.98 0.00 0.00 173.24 174.37 2p1b s LEU 49 N -0.54 4.38 0.75 2.42 1.43 -1.00 0.18 118.68 126.30 2p1b s LEU 49 Ca -0.06 2.20 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 2p1b s LEU 49 Cb -0.04 -3.85 0.04 0.00 0.03 0.00 0.00 46.19 42.37 2p1b s LEU 49 CO 0.00 -0.31 1.13 -0.83 0.23 0.00 0.00 176.35 176.57 2p1b s GLY 50 N -1.13 1.61 0.33 -3.19 0.00 0.13 -4.83 107.32 100.25 2p1b s GLY 50 Ca 0.50 -0.45 0.24 0.00 0.00 0.00 0.00 44.72 45.01 2p1b s GLY 50 CO 0.36 -0.04 1.74 0.00 0.00 0.00 0.00 173.10 175.17 2p1b h ALA 51 N -0.81 1.00 -0.02 3.20 0.00 -1.97 -2.17 119.26 118.49 2p1b h ALA 51 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2p1b h ALA 51 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2p1b h ALA 51 CO 0.65 0.00 -0.29 0.41 0.00 0.00 0.00 179.25 180.02 2p1b n GLY 52 N -0.81 0.23 3.77 0.00 0.00 -1.26 -4.98 105.19 102.14 2p1b n GLY 52 Ca -0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.10 3.21 0.68 4.61 0.00 -0.82 -4.70 121.76 122.64 2p1b s ALA 53 Ca 0.19 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 2p1b s ALA 53 Cb 0.17 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.89 2p1b s ALA 53 CO 0.43 -0.67 1.02 0.15 0.00 0.00 0.00 175.76 176.69 2p1b s LYS 54 N -2.24 2.54 0.00 0.00 1.02 -1.26 -4.94 119.74 114.85 2p1b s LYS 54 Ca 0.57 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.58 2p1b s LYS 54 Cb -0.34 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2p1b s LYS 54 CO 0.44 -1.07 0.95 -3.47 -0.92 0.00 0.00 175.35 171.27 2p1b n ASP 55 N -2.88 2.81 -4.92 2.83 2.03 -1.26 -4.61 116.55 110.55 2p1b n ASP 55 Ca 0.07 -1.95 -0.27 0.00 0.52 0.00 0.00 54.79 53.15 2p1b n ASP 55 Cb 0.59 -0.49 0.06 0.00 -0.72 0.00 0.00 41.12 40.56 2p1b n ASP 55 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2p1b s GLU 56 N -0.04 2.38 0.21 -0.67 2.02 -1.26 -4.71 118.70 116.64 2p1b s GLU 56 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 2p1b s GLU 56 Cb 0.00 -2.14 -0.08 0.00 0.10 0.00 0.00 34.13 32.01 2p1b s GLU 56 CO 0.00 -1.17 1.19 -1.17 0.02 0.00 0.00 175.26 174.13 2p1b s LEU 57 N -5.26 4.47 -0.18 1.80 2.96 -1.26 -4.52 118.68 116.68 2p1b s LEU 57 Ca 0.59 2.27 0.01 0.00 -0.22 0.00 0.00 54.13 56.78 2p1b s LEU 57 Cb -0.11 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.00 2p1b s LEU 57 CO 0.46 -0.34 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.99 2p1b s HIS 58 N -0.34 2.57 -0.26 5.38 3.76 0.13 -3.68 115.29 122.86 2p1b s HIS 58 Ca 0.51 -1.55 -0.02 0.00 -0.15 0.00 0.00 55.06 53.85 2p1b s HIS 58 Cb -0.33 -1.78 0.03 0.00 1.11 0.00 0.00 32.58 31.61 2p1b s HIS 58 CO 0.39 -0.76 -0.04 0.42 -0.85 0.00 0.00 174.74 173.90 2p1b s ILE 59 N 1.35 2.98 -0.15 0.60 1.01 -0.79 0.14 121.20 126.34 2p1b s ILE 59 Ca 0.03 -1.08 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 2p1b s ILE 59 Cb -0.14 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 2p1b s ILE 59 CO -0.11 0.12 0.25 -0.69 0.00 0.00 0.00 174.94 174.51 2p1b s VAL 60 N 1.32 5.33 0.20 2.92 1.01 0.15 -0.20 120.40 131.13 2p1b s VAL 60 Ca -0.01 0.46 0.09 0.00 0.00 0.00 0.00 61.98 62.52 2p1b s VAL 60 Cb -0.17 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2p1b s VAL 60 CO -0.03 0.45 -0.19 -1.83 0.00 0.00 0.00 175.10 173.50 2p1b s GLU 61 N 0.09 1.40 0.07 2.72 -1.05 -0.04 -0.95 118.70 120.94 2p1b s GLU 61 Ca 0.15 -1.54 0.08 0.00 -0.15 0.00 0.00 54.97 53.52 2p1b s GLU 61 Cb -0.13 -1.44 -0.03 0.00 -0.44 0.00 0.00 34.13 32.09 2p1b s GLU 61 CO 0.04 0.28 -0.21 0.00 0.95 0.00 0.00 175.26 176.31 2p1b s ALA 62 N -2.30 1.83 -0.14 -0.84 0.00 0.33 -1.53 121.76 119.11 2p1b s ALA 62 Ca 0.21 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 2p1b s ALA 62 Cb -0.05 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2p1b s ALA 62 CO 0.09 0.40 -0.06 -2.00 0.00 0.00 0.00 175.76 174.19 2p1b s GLU 63 N -1.48 1.41 0.26 0.00 2.12 0.46 -0.17 118.70 121.31 2p1b s GLU 63 Ca 0.08 -0.39 -0.18 0.00 0.36 0.00 0.00 54.97 54.84 2p1b s GLU 63 Cb -0.09 -1.81 0.01 0.00 0.26 0.00 0.00 34.13 32.50 2p1b s GLU 63 CO 0.03 -0.37 0.63 0.00 -0.54 0.00 0.00 175.26 175.01 2p1b s ALA 64 N 1.68 -0.90 0.60 6.30 0.00 -1.04 -1.07 121.76 127.34 2p1b s ALA 64 Ca 0.02 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 2p1b s ALA 64 Cb -0.14 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 2p1b s ALA 64 CO -0.08 -0.97 1.13 -1.64 0.00 0.00 0.00 175.76 174.20 2p1b s MET 65 N -3.95 3.07 0.01 0.00 -1.94 -1.26 -1.58 119.30 113.64 2p1b s MET 65 Ca 0.14 1.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.65 2p1b s MET 65 Cb -0.04 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.83 2p1b s MET 65 CO 0.07 -1.06 0.01 0.27 -0.01 0.00 0.00 175.02 174.29 2p1b n ASN 66 N -1.84 0.18 0.41 3.03 0.23 -0.91 -4.84 115.26 111.53 2p1b n ASN 66 Ca 0.11 -1.02 -0.16 0.00 -0.53 0.00 0.00 54.58 52.98 2p1b n ASN 66 Cb 0.51 -0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.13 2p1b n ASN 66 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2p1b h TYR 67 N 0.08 -0.98 0.00 -2.53 3.20 -1.97 -2.15 116.97 112.62 2p1b h TYR 67 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2p1b h TYR 67 Cb 0.01 0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2p1b h TYR 67 CO 0.00 -0.61 0.46 0.39 -1.64 0.00 0.00 178.16 176.76 2p1b n GLU 68 N -5.16 0.05 0.00 1.82 4.71 -1.26 -4.75 120.64 116.05 2p1b n GLU 68 Ca -0.13 0.49 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 2p1b n GLU 68 Cb 0.42 -2.13 0.00 0.00 -1.01 0.00 0.00 31.44 28.72 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 -1.25 3.36 3.76 0.62 0.00 -0.81 -5.06 105.19 105.81 2p1b n GLY 69 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.72 7.40 0.63 1.61 0.01 -1.26 -4.47 113.70 116.89 2p1b s SER 70 Ca 0.00 2.00 -0.18 0.00 1.31 0.00 0.00 55.95 59.09 2p1b s SER 70 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2p1b s SER 70 CO 0.00 -0.03 1.21 -2.16 0.41 0.00 0.00 173.24 172.67 2p1b s PRO 71 N -1.58 2.72 0.01 12.44 0.04 -1.26 -2.13 135.00 145.24 2p1b s PRO 71 Ca 0.46 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 2p1b s PRO 71 Cb -0.25 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2p1b s PRO 71 CO 0.32 -1.40 0.03 0.96 0.04 0.00 0.00 177.00 176.95 2p1b s ILE 72 N -1.71 0.08 -0.24 0.56 -4.36 -0.62 -4.85 121.20 110.07 2p1b s ILE 72 Ca 0.77 -0.69 -0.12 0.00 -0.26 0.00 0.00 60.65 60.35 2p1b s ILE 72 Cb -0.30 -0.28 -0.05 0.00 1.25 0.00 0.00 42.46 43.08 2p1b s ILE 72 CO 0.37 -0.38 0.22 -0.54 0.24 0.00 0.00 174.94 174.85 2p1b s LYS 73 N -1.18 4.06 0.09 0.37 1.02 -1.26 -2.48 119.74 120.36 2p1b s LYS 73 Ca -0.13 -0.18 0.09 0.00 0.02 0.00 0.00 55.97 55.77 2p1b s LYS 73 Cb -0.08 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 2p1b s LYS 73 CO -0.00 -0.02 -0.24 0.08 -0.92 0.00 0.00 175.35 174.25 2p1b s VAL 74 N 1.30 1.96 -0.41 3.17 1.01 0.77 -4.96 120.40 123.23 2p1b s VAL 74 Ca 0.10 -1.52 -0.19 0.00 0.00 0.00 0.00 61.98 60.36 2p1b s VAL 74 Cb -0.14 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.53 2p1b s VAL 74 CO 0.07 0.11 0.56 -0.89 0.00 0.00 0.00 175.10 174.95 2p1b s THR 75 N -1.00 4.94 0.08 3.92 2.01 -1.26 -0.51 115.64 123.82 2p1b s THR 75 Ca 0.10 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.06 2p1b s THR 75 Cb -0.10 -4.11 -0.26 0.00 0.01 0.00 0.00 72.50 68.04 2p1b s THR 75 CO 0.04 -0.47 1.16 -0.07 -0.69 0.00 0.00 174.62 174.60 2p1b h LEU 76 N 9.40 0.63 -7.00 4.42 3.38 -1.38 -3.48 115.31 121.27 2p1b h LEU 76 Ca -0.26 -0.60 0.11 0.00 0.09 0.00 0.00 57.88 57.22 2p1b h LEU 76 Cb 1.11 -0.20 -0.26 0.00 0.09 0.00 0.00 40.66 41.39 2p1b h LEU 76 CO 0.84 1.43 0.62 0.00 0.09 0.00 0.00 178.44 181.42 2p1b s ALA 77 N -2.92 -2.02 -0.19 1.53 0.00 -1.15 -5.01 121.76 112.01 2p1b s ALA 77 Ca -0.07 1.75 -0.05 0.00 0.00 0.00 0.00 51.96 53.59 2p1b s ALA 77 Cb 0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 2p1b s ALA 77 CO 0.90 -0.24 0.01 0.99 0.00 0.00 0.00 175.76 177.42 2p1b s THR 78 N -0.40 4.16 0.16 0.00 2.01 -1.26 -0.68 115.64 119.63 2p1b s THR 78 Ca 0.03 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.83 2p1b s THR 78 Cb -0.03 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2p1b s THR 78 CO -0.05 0.45 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.45 2p1b s LEU 79 N 0.71 2.54 -0.28 4.42 1.43 0.36 -4.94 118.68 122.92 2p1b s LEU 79 Ca 0.00 -1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.04 2p1b s LEU 79 Cb -0.14 -0.43 0.15 0.00 0.03 0.00 0.00 46.19 45.80 2p1b s LEU 79 CO 0.02 -0.29 0.57 -0.75 0.23 0.00 0.00 176.35 176.13 2p1b s LYS 80 N -3.70 0.51 0.29 1.70 2.20 -0.98 0.21 119.74 119.96 2p1b s LYS 80 Ca 0.18 1.11 0.02 0.00 -0.36 0.00 0.00 55.97 56.92 2p1b s LYS 80 Cb 0.02 0.51 0.71 0.00 -1.51 0.00 0.00 37.83 37.55 2p1b s LYS 80 CO 0.02 -0.43 1.44 -0.12 -0.36 0.00 0.00 175.35 175.90 2p1b n MET 81 N 5.42 -0.07 0.00 4.03 0.00 -1.26 0.68 117.12 125.92 2p1b n MET 81 Ca -0.06 1.38 0.15 0.00 -0.00 0.00 0.00 57.70 59.16 2p1b n MET 81 Cb 0.50 -2.19 0.68 0.00 0.00 0.00 0.00 33.22 32.21 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 -5.35 0.63 0.00 6.12 3.41 -1.26 -4.08 113.62 113.09 2p1b n SER 82 Ca 0.22 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 2p1b n SER 82 Cb 0.71 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.65 0.00 -3.04 -3.33 0.31 0.40 -5.01 118.33 107.01 2p1b n VAL 83 Ca 0.18 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2p1b n VAL 83 Cb 0.25 -0.43 -0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 -1.54 0.82 0.15 5.55 0.74 0.21 -4.98 119.66 120.62 2p1b s GLN 84 Ca 0.00 -0.46 -0.12 0.00 0.05 0.00 0.00 55.36 54.83 2p1b s GLN 84 Cb 0.00 0.05 0.02 0.00 1.10 0.00 0.00 33.01 34.18 2p1b s GLN 84 CO 0.00 -1.13 1.60 -1.35 -0.55 0.00 0.00 175.29 173.86 2p1b h PRO 85 N 6.27 0.88 -6.84 1.67 0.11 -1.70 -2.61 132.00 129.79 2p1b h PRO 85 Ca 0.04 -0.29 -0.68 0.00 0.11 0.00 0.00 66.00 65.18 2p1b h PRO 85 Cb 1.17 -0.08 -0.23 0.00 0.11 0.00 0.00 31.00 31.97 2p1b h PRO 85 CO 0.06 0.93 -0.87 0.99 -0.21 0.00 0.00 178.00 178.90 2p1b s THR 86 N -4.99 2.21 -0.05 -1.15 2.01 -1.26 -2.37 115.64 110.04 2p1b s THR 86 Ca -0.12 -1.70 0.01 0.00 0.31 0.00 0.00 61.69 60.19 2p1b s THR 86 Cb 0.12 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.70 2p1b s THR 86 CO 0.83 0.12 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.15 2p1b s VAL 87 N -1.03 0.44 -0.34 3.82 1.01 -0.13 -4.99 120.40 119.18 2p1b s VAL 87 Ca 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 2p1b s VAL 87 Cb -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.79 2p1b s VAL 87 CO 0.05 0.22 0.18 -0.55 0.00 0.00 0.00 175.10 174.99 2p1b s SER 88 N 1.11 5.62 0.39 3.32 0.15 -1.26 -0.20 113.70 122.83 2p1b s SER 88 Ca -0.08 -0.75 0.26 0.00 0.70 0.00 0.00 55.95 56.08 2p1b s SER 88 Cb -0.14 -2.01 0.72 0.00 -1.71 0.00 0.00 66.02 62.89 2p1b s SER 88 CO -0.01 -0.28 1.74 -0.07 1.20 0.00 0.00 173.24 175.81 2p1b h LEU 89 N 8.39 0.00 0.40 3.45 3.38 -0.52 -3.48 115.31 126.92 2p1b h LEU 89 Ca -0.29 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.41 2p1b h LEU 89 Cb 1.13 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.92 2p1b h LEU 89 CO 0.64 0.00 -0.42 0.61 0.09 0.00 0.00 178.44 179.36 2p1b n GLY 90 N 0.82 -0.13 1.41 0.83 0.00 -1.24 -4.12 105.19 102.76 2p1b n GLY 90 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.30 0.70 3.56 -0.02 0.00 -0.40 -5.00 105.19 102.73 2p1b n GLY 91 Ca -0.07 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.94 3.04 -0.14 1.61 5.99 -0.59 -4.80 117.98 120.14 2p1b s PHE 92 Ca 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 56.93 57.01 2p1b s PHE 92 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 43.02 39.44 2p1b s PHE 92 CO 0.00 -0.89 0.59 -1.21 -0.00 0.00 0.00 175.22 173.71 2p1b s GLU 93 N 3.19 4.30 0.17 10.12 2.02 -1.26 -0.76 118.70 136.49 2p1b s GLU 93 Ca 0.30 0.60 0.09 0.00 0.02 0.00 0.00 54.97 55.98 2p1b s GLU 93 Cb -0.13 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 2p1b s GLU 93 CO 0.20 -0.04 -0.20 0.42 0.02 0.00 0.00 175.26 175.67 2p1b s ILE 94 N 1.23 1.95 -0.20 -1.63 1.01 0.22 -4.96 121.20 118.83 2p1b s ILE 94 Ca 0.29 -1.95 -0.06 0.00 0.00 0.00 0.00 60.65 58.93 2p1b s ILE 94 Cb -0.16 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 2p1b s ILE 94 CO 0.12 -0.27 0.03 -0.89 0.00 0.00 0.00 174.94 173.92 2p1b s THR 95 N -1.96 4.26 0.71 2.92 2.01 -1.26 -0.19 115.64 122.13 2p1b s THR 95 Ca 0.17 -0.21 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 2p1b s THR 95 Cb -0.06 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 2p1b s THR 95 CO 0.07 0.43 0.82 -2.65 -0.69 0.00 0.00 174.62 172.61 2p1b n PRO 96 N 4.03 0.45 -2.59 4.92 -0.02 -1.26 -4.52 135.00 136.01 2p1b n PRO 96 Ca -0.17 0.20 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 2p1b n PRO 96 Cb 0.52 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 2p1b n PRO 96 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2p1b s PRO 97 N -3.11 3.92 -0.02 0.52 0.04 -1.26 -4.97 135.00 130.10 2p1b s PRO 97 Ca 0.71 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 2p1b s PRO 97 Cb -0.35 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 31.97 2p1b s PRO 97 CO 0.53 -0.17 0.06 0.54 0.04 0.00 0.00 177.00 177.99 2p1b s VAL 98 N -2.50 -0.01 -0.04 -0.36 0.11 0.11 -4.54 120.40 113.18 2p1b s VAL 98 Ca 0.57 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.65 2p1b s VAL 98 Cb -0.10 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 2p1b s VAL 98 CO 0.30 0.01 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.33 2p1b s VAL 99 N 0.13 3.77 -0.13 2.04 1.01 -0.23 -0.73 120.40 126.26 2p1b s VAL 99 Ca -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2p1b s VAL 99 Cb -0.01 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2p1b s VAL 99 CO -0.00 0.51 -0.17 -0.76 0.00 0.00 0.00 175.10 174.67 2p1b s LEU 100 N -1.10 1.84 0.20 3.92 1.43 -0.84 -0.40 118.68 123.74 2p1b s LEU 100 Ca 0.15 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2p1b s LEU 100 Cb -0.11 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2p1b s LEU 100 CO 0.04 0.02 0.11 0.00 0.23 0.00 0.00 176.35 176.76 2p1b s ARG 101 N 1.04 1.21 -0.62 1.70 1.70 -0.58 -2.53 118.95 120.86 2p1b s ARG 101 Ca -0.04 -1.63 -0.14 0.00 -0.47 0.00 0.00 55.73 53.44 2p1b s ARG 101 Cb -0.15 0.14 0.16 0.00 -0.57 0.00 0.00 34.95 34.53 2p1b s ARG 101 CO -0.04 -0.35 0.56 -0.51 -1.08 0.00 0.00 175.30 173.88 2p1b s LEU 102 N -3.18 6.28 0.22 -1.89 1.02 -1.26 -0.86 118.68 119.00 2p1b s LEU 102 Ca 0.37 -2.10 -0.08 0.00 0.02 0.00 0.00 54.13 52.33 2p1b s LEU 102 Cb 0.07 -2.18 0.33 0.00 0.02 0.00 0.00 46.19 44.43 2p1b s LEU 102 CO 0.11 -0.74 1.74 0.50 0.02 0.00 0.00 176.35 177.98 2p1b h LYS 103 N 8.46 0.40 -3.51 1.70 3.64 -0.92 -3.43 116.57 122.90 2p1b h LYS 103 Ca -0.16 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.06 2p1b h LYS 103 Cb 1.07 -0.09 -0.20 0.00 -0.41 0.00 0.00 32.23 32.61 2p1b h LYS 103 CO 0.93 0.26 -0.46 0.00 -2.27 0.00 0.00 179.45 177.91 2p1b n GLY 105 N 1.22 0.87 0.03 0.00 0.00 -1.24 -1.89 105.19 104.17 2p1b n GLY 105 Ca -0.22 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2p1b n GLY 105 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2p1b n SER 106 N -0.46 1.18 0.00 1.61 3.41 -1.26 -4.48 113.62 113.62 2p1b n SER 106 Ca 0.00 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 2p1b n SER 106 Cb 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2p1b n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p1b n GLY 107 N -0.03 0.53 3.77 5.00 0.00 -1.26 -2.72 105.19 110.49 2p1b n GLY 107 Ca 0.00 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 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 3.84 0.01 1.61 0.04 -1.25 -4.01 135.00 135.25 2p1b s PRO 108 Ca 0.00 1.69 0.09 0.00 0.04 0.00 0.00 61.00 62.81 2p1b s PRO 108 Cb 0.00 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 2p1b s PRO 108 CO 0.00 -0.46 -0.26 0.08 0.04 0.00 0.00 177.00 176.40 2p1b s VAL 109 N -1.60 2.11 -0.08 -0.36 1.01 0.29 0.18 120.40 121.95 2p1b s VAL 109 Ca 0.63 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2p1b s VAL 109 Cb -0.26 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2p1b s VAL 109 CO 0.32 0.47 -0.03 -1.00 0.00 0.00 0.00 175.10 174.85 2p1b s HIS 110 N -0.71 3.05 -0.12 5.22 3.76 0.47 -0.30 115.29 126.66 2p1b s HIS 110 Ca 0.11 0.09 0.02 0.00 -0.15 0.00 0.00 55.06 55.13 2p1b s HIS 110 Cb -0.10 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.85 2p1b s HIS 110 CO 0.01 0.38 -0.16 0.42 -0.85 0.00 0.00 174.74 174.53 2p1b s ILE 111 N -0.79 1.63 0.55 0.60 1.01 -0.89 -0.37 121.20 122.94 2p1b s ILE 111 Ca 0.12 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2p1b s ILE 111 Cb -0.11 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.91 2p1b s ILE 111 CO 0.02 0.47 0.34 -0.94 0.00 0.00 0.00 174.94 174.83 2p1b s SER 112 N 1.04 4.55 0.00 3.58 1.04 -0.56 -2.06 113.70 121.29 2p1b s SER 112 Ca -0.05 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2p1b s SER 112 Cb -0.15 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2p1b s SER 112 CO -0.03 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.71 2p1b n GLY 113 N -1.70 -0.05 3.35 7.32 0.00 -0.99 -1.25 105.19 111.86 2p1b n GLY 113 Ca -0.05 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.00 1.35 -0.27 1.61 -0.21 0.28 -2.01 119.66 118.42 2p1b s GLN 114 Ca 0.00 -1.64 -0.01 0.00 0.02 0.00 0.00 55.36 53.74 2p1b s GLN 114 Cb 0.00 -0.99 0.08 0.00 1.00 0.00 0.00 33.01 33.10 2p1b s GLN 114 CO 0.00 0.09 0.05 -1.58 -2.12 0.00 0.00 175.29 171.73 2p1b s HIS 115 N -3.10 1.81 -0.09 0.91 5.65 -0.13 -1.65 115.29 118.69 2p1b s HIS 115 Ca 0.24 -1.60 -0.10 0.00 0.25 0.00 0.00 55.06 53.85 2p1b s HIS 115 Cb 0.02 -1.59 -0.05 0.00 -1.18 0.00 0.00 32.58 29.78 2p1b s HIS 115 CO 0.08 -0.79 0.24 -0.51 -0.65 0.00 0.00 174.74 173.10 2p1b s LEU 116 N 1.59 4.39 -0.02 8.88 1.43 -0.28 -0.95 118.68 133.71 2p1b s LEU 116 Ca 0.04 0.61 0.05 0.00 -1.03 0.00 0.00 54.13 53.80 2p1b s LEU 116 Cb -0.18 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 2p1b s LEU 116 CO -0.16 0.33 -0.17 -0.69 0.23 0.00 0.00 176.35 175.89 2p1b s VAL 117 N -0.76 1.38 0.00 -1.59 1.01 0.13 0.29 120.40 120.85 2p1b s VAL 117 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2p1b s VAL 117 Cb -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2p1b s VAL 117 CO 0.06 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.56