#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 2.04 0.03 1.08 2.20 -1.26 -0.42 114.94 118.60 2p1b s ASN 16 Ca 0.00 -0.64 -0.01 0.00 -0.94 0.00 0.00 52.86 51.27 2p1b s ASN 16 Cb 0.00 -0.09 -0.02 0.00 -2.00 0.00 0.00 41.25 39.14 2p1b s ASN 16 CO 0.00 -0.01 -0.02 -0.31 -2.94 0.00 0.00 177.10 173.82 2p1b s TYR 17 N -1.21 0.30 0.77 1.54 1.51 -0.87 -4.96 117.35 114.44 2p1b s TYR 17 Ca 0.02 -0.62 -0.13 0.00 -1.01 0.00 0.00 57.07 55.32 2p1b s TYR 17 Cb -0.10 -0.22 0.06 0.00 -0.11 0.00 0.00 41.96 41.59 2p1b s TYR 17 CO 0.03 -0.24 1.17 -0.51 -1.11 0.00 0.00 175.55 174.89 2p1b s LEU 18 N -1.77 3.18 0.10 -1.29 1.43 -1.26 -0.77 118.68 118.30 2p1b s LEU 18 Ca -0.11 2.23 -0.07 0.00 -1.03 0.00 0.00 54.13 55.15 2p1b s LEU 18 Cb -0.06 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.58 2p1b s LEU 18 CO -0.03 -2.39 0.17 0.12 0.23 0.00 0.00 176.35 174.46 2p1b s PHE 19 N -2.27 0.29 0.00 0.29 5.36 -0.86 -4.56 117.98 116.23 2p1b s PHE 19 Ca 0.70 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 2p1b s PHE 19 Cb -0.26 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.30 2p1b s PHE 19 CO 0.49 -0.56 0.00 0.41 -1.46 0.00 0.00 175.22 174.10 2p1b n GLY 20 N -0.07 1.30 3.73 13.12 0.00 -1.26 -2.30 105.19 119.71 2p1b n GLY 20 Ca -0.13 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 2p1b n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p1b s GLU 22 N -3.91 0.90 0.01 0.00 2.12 -1.26 -2.37 118.70 114.18 2p1b s GLU 22 Ca 0.12 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.67 2p1b s GLU 22 Cb -0.04 -0.89 -0.01 0.00 0.26 0.00 0.00 34.13 33.44 2p1b s GLU 22 CO 0.04 0.22 0.03 -0.51 -0.54 0.00 0.00 175.26 174.50 2p1b s LEU 23 N -1.17 1.98 0.06 2.70 1.43 -1.10 -4.90 118.68 117.67 2p1b s LEU 23 Ca 0.01 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2p1b s LEU 23 Cb -0.08 0.28 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 2p1b s LEU 23 CO 0.01 -0.28 0.03 -1.59 0.23 0.00 0.00 176.35 174.75 2p1b s LYS 24 N -1.23 0.65 0.00 1.70 -2.85 -1.26 -1.38 119.74 115.37 2p1b s LYS 24 Ca -0.13 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 2p1b s LYS 24 Cb -0.08 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 2p1b s LYS 24 CO -0.00 -0.15 0.00 0.00 0.10 0.00 0.00 175.35 175.30 2p1b n ALA 25 N 0.17 0.00 -1.98 0.59 0.00 -0.98 -1.27 120.51 117.04 2p1b n ALA 25 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.33 2p1b n ALA 25 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.12 2p1b n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2p1b n ASP 26 N -1.72 0.96 -4.24 0.00 8.00 -1.26 -4.80 116.55 113.49 2p1b n ASP 26 Ca 0.00 -2.45 -0.36 0.00 0.71 0.00 0.00 54.79 52.69 2p1b n ASP 26 Cb 0.00 -0.32 -0.13 0.00 -0.02 0.00 0.00 41.12 40.65 2p1b n ASP 26 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2p1b s LYS 27 N -0.91 2.69 0.61 -1.24 2.20 -0.40 -5.09 119.74 117.59 2p1b s LYS 27 Ca 0.22 -1.11 -0.08 0.00 -0.36 0.00 0.00 55.97 54.65 2p1b s LYS 27 Cb 0.23 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2p1b s LYS 27 CO -0.07 -0.55 0.95 -0.51 -0.36 0.00 0.00 175.35 174.82 2p1b s ASP 28 N 1.35 5.67 0.06 1.43 1.11 -1.26 -4.27 116.67 120.77 2p1b s ASP 28 Ca -0.02 0.91 0.08 0.00 0.18 0.00 0.00 52.55 53.69 2p1b s ASP 28 Cb -0.19 -1.89 -0.03 0.00 1.07 0.00 0.00 42.92 41.89 2p1b s ASP 28 CO -0.00 -1.07 -0.21 -0.47 1.18 0.00 0.00 175.17 174.60 2p1b s TYR 29 N -3.08 1.80 -0.27 4.23 5.04 0.75 -4.95 117.35 120.86 2p1b s TYR 29 Ca 0.54 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.81 2p1b s TYR 29 Cb -0.11 -1.04 0.07 0.00 0.35 0.00 0.00 41.96 41.23 2p1b s TYR 29 CO 0.48 0.13 -0.07 -1.01 -1.34 0.00 0.00 175.55 173.74 2p1b s HIS 30 N -0.92 3.19 -0.12 4.97 3.76 -1.26 -1.28 115.29 123.63 2p1b s HIS 30 Ca 0.07 -2.35 -0.15 0.00 -0.15 0.00 0.00 55.06 52.48 2p1b s HIS 30 Cb -0.09 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.51 2p1b s HIS 30 CO 0.03 -0.88 0.37 0.12 -0.85 0.00 0.00 174.74 173.53 2p1b s PHE 31 N 1.12 3.53 -0.27 1.40 5.36 0.21 -5.00 117.98 124.32 2p1b s PHE 31 Ca -0.05 0.76 -0.27 0.00 -0.96 0.00 0.00 56.93 56.41 2p1b s PHE 31 Cb -0.20 -2.40 0.17 0.00 -0.34 0.00 0.00 43.02 40.26 2p1b s PHE 31 CO -0.06 0.29 1.29 -1.59 -1.46 0.00 0.00 175.22 173.69 2p1b s LYS 32 N 0.24 0.20 0.36 10.12 -2.85 -1.26 -1.53 119.74 125.03 2p1b s LYS 32 Ca 0.21 0.13 0.07 0.00 -1.00 0.00 0.00 55.97 55.38 2p1b s LYS 32 Cb -0.14 0.10 -0.07 0.00 -2.06 0.00 0.00 37.83 35.65 2p1b s LYS 32 CO 0.08 -0.05 -0.01 0.08 0.10 0.00 0.00 175.35 175.55 2p1b s VAL 33 N -0.47 1.87 -0.47 1.79 1.01 -1.26 -5.10 120.40 117.77 2p1b s VAL 33 Ca 0.06 -2.06 0.06 0.00 0.00 0.00 0.00 61.98 60.04 2p1b s VAL 33 Cb -0.03 -2.82 0.24 0.00 0.00 0.00 0.00 36.38 33.78 2p1b s VAL 33 CO -0.09 -0.08 0.79 -0.90 0.00 0.00 0.00 175.10 174.82 2p1b n ASP 34 N -0.83 -2.16 -1.60 3.32 5.75 -1.26 -4.99 116.55 114.78 2p1b n ASP 34 Ca -0.05 -3.14 -0.20 0.00 -0.01 0.00 0.00 54.79 51.39 2p1b n ASP 34 Cb 0.66 1.22 -0.02 0.00 -1.03 0.00 0.00 41.12 41.94 2p1b n ASP 34 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2p1b n GLU 39 N 1.63 0.00 -3.64 0.11 1.02 -1.26 -5.32 120.64 113.18 2p1b n GLU 39 Ca 0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.21 2p1b n GLU 39 Cb 0.60 -0.48 -0.07 0.00 -0.02 0.00 0.00 31.44 31.48 2p1b n GLU 39 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2p1b s HIS 40 N -0.13 -0.40 -0.04 -0.32 3.76 -1.26 -2.16 115.29 114.74 2p1b s HIS 40 Ca 0.29 0.90 -0.04 0.00 -0.15 0.00 0.00 55.06 56.06 2p1b s HIS 40 Cb -0.41 0.36 0.01 0.00 1.11 0.00 0.00 32.58 33.65 2p1b s HIS 40 CO 0.20 -0.19 0.12 -0.65 -0.85 0.00 0.00 174.74 173.37 2p1b s GLN 41 N 0.54 0.16 -0.32 1.40 -1.52 -0.49 -4.41 119.66 115.02 2p1b s GLN 41 Ca 0.00 0.14 -0.10 0.00 -1.95 0.00 0.00 55.36 53.45 2p1b s GLN 41 Cb -0.04 0.08 -0.01 0.00 -0.22 0.00 0.00 33.01 32.81 2p1b s GLN 41 CO -0.11 -0.02 0.18 -1.17 -0.25 0.00 0.00 175.29 173.92 2p1b s LEU 42 N -0.01 4.24 -0.46 2.90 2.96 -0.64 -0.80 118.68 126.87 2p1b s LEU 42 Ca -0.01 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.29 2p1b s LEU 42 Cb -0.01 -2.04 0.11 0.00 0.50 0.00 0.00 46.19 44.75 2p1b s LEU 42 CO 0.00 -0.21 0.33 -0.55 -1.32 0.00 0.00 176.35 174.60 2p1b s SER 43 N 1.64 5.69 0.24 3.68 0.15 -0.54 -0.02 113.70 124.53 2p1b s SER 43 Ca 0.05 -1.84 -0.30 0.00 0.70 0.00 0.00 55.95 54.56 2p1b s SER 43 Cb -0.17 -2.00 -0.09 0.00 -1.71 0.00 0.00 66.02 62.04 2p1b s SER 43 CO 0.07 -0.66 1.26 -0.76 1.20 0.00 0.00 173.24 174.35 2p1b s LEU 44 N 1.37 4.44 0.00 3.45 1.43 0.15 -0.79 118.68 128.74 2p1b s LEU 44 Ca 0.05 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 2p1b s LEU 44 Cb -0.26 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2p1b s LEU 44 CO -0.00 -0.45 0.00 0.54 0.23 0.00 0.00 176.35 176.67 2p1b n ARG 45 N 1.98 0.00 -4.08 1.70 5.12 0.32 -1.66 116.66 120.03 2p1b n ARG 45 Ca 0.03 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.69 2p1b n ARG 45 Cb 0.43 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.68 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 0.84 4.48 -0.12 0.55 -4.23 -1.11 -1.04 115.64 115.01 2p1b s THR 46 Ca 0.00 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 2p1b s THR 46 Cb 0.00 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.57 2p1b s THR 46 CO 0.00 -0.10 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.10 2p1b s VAL 47 N -1.74 1.76 -0.14 2.29 1.01 -0.07 -1.27 120.40 122.24 2p1b s VAL 47 Ca 0.31 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2p1b s VAL 47 Cb -0.10 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.75 2p1b s VAL 47 CO 0.23 0.49 0.37 -0.94 0.00 0.00 0.00 175.10 175.26 2p1b s SER 48 N 0.81 -0.40 0.26 3.32 1.04 0.26 -1.14 113.70 117.83 2p1b s SER 48 Ca -0.09 0.76 -0.30 0.00 0.48 0.00 0.00 55.95 56.81 2p1b s SER 48 Cb -0.16 0.75 -0.10 0.00 0.10 0.00 0.00 66.02 66.61 2p1b s SER 48 CO 0.00 -0.14 1.35 -0.76 0.98 0.00 0.00 173.24 174.67 2p1b s LEU 49 N 0.45 4.41 0.57 2.42 1.43 -0.84 0.24 118.68 127.36 2p1b s LEU 49 Ca -0.02 2.58 -0.02 0.00 -1.03 0.00 0.00 54.13 55.64 2p1b s LEU 49 Cb -0.04 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.58 2p1b s LEU 49 CO -0.02 -0.59 0.83 -0.83 0.23 0.00 0.00 176.35 175.97 2p1b s GLY 50 N 0.10 1.70 0.03 -3.19 0.00 -1.22 -4.85 107.32 99.89 2p1b s GLY 50 Ca 0.55 -1.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.14 2p1b s GLY 50 CO 0.44 -0.78 0.51 0.00 0.00 0.00 0.00 173.10 173.27 2p1b n ALA 51 N -2.46 -0.14 1.55 3.20 0.00 -1.26 -1.65 120.51 119.75 2p1b n ALA 51 Ca 0.06 0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.74 2p1b n ALA 51 Cb 0.59 0.06 0.32 0.00 0.00 0.00 0.00 19.45 20.42 2p1b n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p1b n GLY 52 N -1.05 -0.77 3.75 0.00 0.00 -1.26 -4.90 105.19 100.95 2p1b n GLY 52 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 3.68 0.47 4.61 0.00 -0.66 -4.81 121.76 123.05 2p1b s ALA 53 Ca 0.16 1.48 -0.21 0.00 0.00 0.00 0.00 51.96 53.40 2p1b s ALA 53 Cb 0.07 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 2p1b s ALA 53 CO 0.12 -0.90 1.03 0.15 0.00 0.00 0.00 175.76 176.16 2p1b s LYS 54 N -0.70 3.87 -0.22 0.00 1.02 -1.26 -4.87 119.74 117.57 2p1b s LYS 54 Ca 0.60 1.34 -0.05 0.00 0.02 0.00 0.00 55.97 57.89 2p1b s LYS 54 Cb -0.45 -2.13 -0.17 0.00 -0.52 0.00 0.00 37.83 34.55 2p1b s LYS 54 CO 0.48 -0.37 2.69 -3.47 -0.92 0.00 0.00 175.35 173.76 2p1b n ASP 55 N -0.87 4.25 -4.92 2.83 2.03 -1.26 -4.76 116.55 113.85 2p1b n ASP 55 Ca 0.09 -2.24 -0.21 0.00 0.52 0.00 0.00 54.79 52.94 2p1b n ASP 55 Cb 0.52 -1.07 -0.01 0.00 -0.72 0.00 0.00 41.12 39.85 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 1.83 2.48 0.74 -0.67 -1.05 -1.26 -4.85 118.70 115.91 2p1b s GLU 56 Ca 0.49 -1.62 -0.13 0.00 -0.15 0.00 0.00 54.97 53.55 2p1b s GLU 56 Cb 0.21 -2.40 0.04 0.00 -0.44 0.00 0.00 34.13 31.54 2p1b s GLU 56 CO -0.01 -0.38 1.13 -1.17 0.95 0.00 0.00 175.26 175.78 2p1b s LEU 57 N -4.26 3.21 -0.30 1.83 2.96 -1.26 -4.42 118.68 116.43 2p1b s LEU 57 Ca 0.48 2.07 0.01 0.00 -0.22 0.00 0.00 54.13 56.46 2p1b s LEU 57 Cb -0.04 -4.55 0.14 0.00 0.50 0.00 0.00 46.19 42.24 2p1b s LEU 57 CO 0.29 -2.07 0.33 -1.00 -1.32 0.00 0.00 176.35 172.57 2p1b s HIS 58 N -2.43 -0.51 -0.31 5.38 3.76 0.67 -4.39 115.29 117.47 2p1b s HIS 58 Ca 0.67 -0.22 -0.16 0.00 -0.15 0.00 0.00 55.06 55.19 2p1b s HIS 58 Cb -0.22 -0.41 -0.02 0.00 1.11 0.00 0.00 32.58 33.04 2p1b s HIS 58 CO 0.48 -0.94 0.44 0.42 -0.85 0.00 0.00 174.74 174.29 2p1b s ILE 59 N 2.22 5.10 -0.17 0.60 1.01 -1.05 -0.13 121.20 128.78 2p1b s ILE 59 Ca 0.11 0.43 -0.07 0.00 0.00 0.00 0.00 60.65 61.12 2p1b s ILE 59 Cb -0.14 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2p1b s ILE 59 CO -0.27 -0.03 0.08 -0.69 0.00 0.00 0.00 174.94 174.03 2p1b s VAL 60 N 2.20 4.97 0.13 2.92 1.01 0.54 -0.33 120.40 131.84 2p1b s VAL 60 Ca 0.16 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2p1b s VAL 60 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2p1b s VAL 60 CO 0.11 0.49 -0.06 -1.83 0.00 0.00 0.00 175.10 173.81 2p1b s GLU 61 N 0.05 0.98 0.15 2.72 -1.05 0.56 -0.75 118.70 121.37 2p1b s GLU 61 Ca 0.07 -1.42 0.09 0.00 -0.15 0.00 0.00 54.97 53.55 2p1b s GLU 61 Cb -0.12 -0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.17 2p1b s GLU 61 CO 0.00 -0.01 -0.20 0.00 0.95 0.00 0.00 175.26 176.00 2p1b s ALA 62 N -3.53 2.02 -0.09 -0.84 0.00 0.64 -1.44 121.76 118.52 2p1b s ALA 62 Ca 0.16 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.69 2p1b s ALA 62 Cb 0.05 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2p1b s ALA 62 CO -0.01 0.30 -0.11 -2.00 0.00 0.00 0.00 175.76 173.94 2p1b s GLU 63 N -2.53 1.74 0.31 0.00 2.12 -0.19 -0.49 118.70 119.66 2p1b s GLU 63 Ca 0.14 -0.39 -0.20 0.00 0.36 0.00 0.00 54.97 54.88 2p1b s GLU 63 Cb -0.07 -1.56 0.03 0.00 0.26 0.00 0.00 34.13 32.79 2p1b s GLU 63 CO 0.06 -0.09 0.76 0.00 -0.54 0.00 0.00 175.26 175.44 2p1b s ALA 64 N 1.09 -1.10 0.07 6.30 0.00 -1.07 -1.36 121.76 125.69 2p1b s ALA 64 Ca -0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 2p1b s ALA 64 Cb -0.14 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 2p1b s ALA 64 CO -0.02 -1.02 1.12 1.41 0.00 0.00 0.00 175.76 177.25 2p1b s MET 65 N -3.39 4.51 0.56 0.00 1.75 -1.26 -1.38 119.30 120.08 2p1b s MET 65 Ca 0.13 1.66 -0.06 0.00 -1.25 0.00 0.00 55.69 56.17 2p1b s MET 65 Cb -0.06 -3.36 0.12 0.00 2.84 0.00 0.00 34.83 34.38 2p1b s MET 65 CO 0.08 -0.12 0.76 0.27 -0.65 0.00 0.00 175.02 175.36 2p1b n ASN 66 N 3.54 0.45 -0.10 1.11 0.23 -0.68 -4.92 115.26 114.89 2p1b n ASN 66 Ca 0.07 -1.52 -0.13 0.00 -0.53 0.00 0.00 54.58 52.47 2p1b n ASN 66 Cb 0.47 -0.54 -0.02 0.00 -2.08 0.00 0.00 39.78 37.61 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 -1.04 1.10 0.00 -2.53 3.20 -1.97 -2.85 116.97 112.89 2p1b h TYR 67 Ca -0.25 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.27 2p1b h TYR 67 Cb 0.78 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2p1b h TYR 67 CO 0.00 1.18 0.00 0.39 -1.64 0.00 0.00 178.16 178.09 2p1b n GLU 68 N -4.04 0.28 0.00 1.82 4.71 -1.26 -4.87 120.64 117.28 2p1b n GLU 68 Ca -0.03 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 2p1b n GLU 68 Cb 0.57 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.50 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 -0.27 2.86 3.62 0.62 0.00 -1.08 -5.07 105.19 105.87 2p1b n GLY 69 Ca 0.07 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2p1b n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p1b s SER 70 N 0.43 1.23 -0.22 1.61 1.04 -1.26 -4.61 113.70 111.92 2p1b s SER 70 Ca 0.00 0.69 -0.12 0.00 0.48 0.00 0.00 55.95 57.00 2p1b s SER 70 Cb 0.00 -0.98 -0.05 0.00 0.10 0.00 0.00 66.02 65.09 2p1b s SER 70 CO 0.00 -3.94 0.23 -2.16 0.98 0.00 0.00 173.24 168.35 2p1b s PRO 71 N -5.37 4.13 0.13 4.02 0.04 -1.26 -1.68 135.00 135.01 2p1b s PRO 71 Ca 0.70 -0.10 0.07 0.00 0.04 0.00 0.00 61.00 61.71 2p1b s PRO 71 Cb -0.11 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 2p1b s PRO 71 CO 0.56 0.08 -0.08 0.96 0.04 0.00 0.00 177.00 178.57 2p1b s ILE 72 N 0.98 3.44 -0.17 0.56 -4.36 -0.48 -4.94 121.20 116.23 2p1b s ILE 72 Ca 0.12 -1.34 -0.08 0.00 -0.26 0.00 0.00 60.65 59.08 2p1b s ILE 72 Cb -0.13 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.88 2p1b s ILE 72 CO 0.04 0.04 0.10 -0.54 0.24 0.00 0.00 174.94 174.82 2p1b s LYS 73 N -2.44 3.91 0.02 0.37 1.02 -1.26 -2.59 119.74 118.76 2p1b s LYS 73 Ca 0.23 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 55.99 2p1b s LYS 73 Cb -0.10 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2p1b s LYS 73 CO 0.15 0.41 -0.06 0.08 -0.92 0.00 0.00 175.35 175.01 2p1b s VAL 74 N 0.02 0.45 -0.20 3.17 1.01 0.36 -4.99 120.40 120.22 2p1b s VAL 74 Ca 0.08 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 2p1b s VAL 74 Cb -0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2p1b s VAL 74 CO 0.00 -0.16 0.49 -0.89 0.00 0.00 0.00 175.10 174.54 2p1b s THR 75 N -0.81 5.13 -0.07 3.92 2.01 -1.26 -0.26 115.64 124.30 2p1b s THR 75 Ca -0.05 0.91 -0.06 0.00 0.31 0.00 0.00 61.69 62.79 2p1b s THR 75 Cb -0.06 -3.82 -0.28 0.00 0.01 0.00 0.00 72.50 68.35 2p1b s THR 75 CO 0.00 0.20 0.58 -0.07 -0.69 0.00 0.00 174.62 174.64 2p1b h LEU 76 N 7.81 0.46 -7.00 4.42 3.38 -1.29 -3.48 115.31 119.62 2p1b h LEU 76 Ca -0.35 -0.82 0.06 0.00 0.09 0.00 0.00 57.88 56.86 2p1b h LEU 76 Cb 1.16 -0.15 -0.19 0.00 0.09 0.00 0.00 40.66 41.56 2p1b h LEU 76 CO 0.74 1.71 0.44 0.00 0.09 0.00 0.00 178.44 181.42 2p1b s ALA 77 N -2.58 -1.85 -0.25 1.53 0.00 -1.11 -5.01 121.76 112.50 2p1b s ALA 77 Ca -0.17 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.10 2p1b s ALA 77 Cb 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.10 2p1b s ALA 77 CO 0.82 -0.47 -0.10 0.99 0.00 0.00 0.00 175.76 177.00 2p1b s THR 78 N -1.90 2.39 0.15 0.00 2.01 -1.26 -0.34 115.64 116.68 2p1b s THR 78 Ca -0.01 -1.35 0.11 0.00 0.31 0.00 0.00 61.69 60.75 2p1b s THR 78 Cb -0.01 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2p1b s THR 78 CO -0.01 0.12 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.02 2p1b s LEU 79 N 1.20 2.35 -0.18 4.42 1.02 0.82 -4.93 118.68 123.38 2p1b s LEU 79 Ca -0.04 -0.78 -0.04 0.00 0.02 0.00 0.00 54.13 53.29 2p1b s LEU 79 Cb -0.18 -1.18 0.09 0.00 0.02 0.00 0.00 46.19 44.94 2p1b s LEU 79 CO -0.06 0.15 0.23 -0.75 0.02 0.00 0.00 176.35 175.94 2p1b s LYS 80 N -2.24 0.18 0.43 1.70 2.20 -1.08 -0.23 119.74 120.69 2p1b s LYS 80 Ca 0.15 0.33 0.36 0.00 -0.36 0.00 0.00 55.97 56.45 2p1b s LYS 80 Cb -0.09 -0.93 1.38 0.00 -1.51 0.00 0.00 37.83 36.67 2p1b s LYS 80 CO 0.07 -0.57 1.32 -0.12 -0.36 0.00 0.00 175.35 175.69 2p1b n MET 81 N 5.33 -0.01 -0.33 4.03 0.00 -1.26 0.95 117.12 125.82 2p1b n MET 81 Ca -0.05 0.98 0.10 0.00 -0.00 0.00 0.00 57.70 58.72 2p1b n MET 81 Cb 0.50 -2.10 0.28 0.00 0.00 0.00 0.00 33.22 31.89 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 -3.96 3.72 0.00 6.12 3.41 -1.26 -4.41 113.62 117.24 2p1b n SER 82 Ca 0.36 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 2p1b n SER 82 Cb 1.54 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 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 1.29 0.00 -3.17 -3.33 0.31 0.27 -5.02 118.33 108.68 2p1b n VAL 83 Ca 0.21 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.35 2p1b n VAL 83 Cb 0.59 -0.67 -0.06 0.00 -0.91 0.00 0.00 33.84 32.78 2p1b n VAL 83 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2p1b n GLN 84 N -2.55 0.31 0.00 5.55 7.27 0.16 -4.95 117.38 123.16 2p1b n GLN 84 Ca 0.00 -2.78 0.06 0.00 0.07 0.00 0.00 57.00 54.35 2p1b n GLN 84 Cb 0.10 -1.60 0.34 0.00 2.41 0.00 0.00 30.24 31.49 2p1b n GLN 84 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2p1b n PRO 85 N 2.87 0.25 -3.65 3.69 -0.04 -1.24 -2.63 135.00 134.24 2p1b n PRO 85 Ca 0.26 0.12 -0.06 0.00 -0.04 0.00 0.00 63.50 63.77 2p1b n PRO 85 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 2p1b n PRO 85 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2p1b s THR 86 N -2.41 -0.17 -0.07 0.52 2.01 -1.26 -1.99 115.64 112.28 2p1b s THR 86 Ca 0.14 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.18 2p1b s THR 86 Cb 0.09 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 2p1b s THR 86 CO 0.18 0.01 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.30 2p1b s VAL 87 N 1.83 3.14 -0.18 3.82 1.01 -0.29 -4.98 120.40 124.75 2p1b s VAL 87 Ca -0.09 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 2p1b s VAL 87 Cb -0.07 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2p1b s VAL 87 CO -0.19 0.58 -0.14 -0.55 0.00 0.00 0.00 175.10 174.80 2p1b s SER 88 N -0.56 3.65 0.09 3.32 0.15 -1.26 -0.89 113.70 118.20 2p1b s SER 88 Ca 0.08 -0.50 0.23 0.00 0.70 0.00 0.00 55.95 56.45 2p1b s SER 88 Cb -0.11 -1.58 0.05 0.00 -1.71 0.00 0.00 66.02 62.67 2p1b s SER 88 CO 0.01 0.04 1.03 0.18 1.20 0.00 0.00 173.24 175.70 2p1b n LEU 89 N 4.39 0.63 -3.51 3.45 4.77 -0.21 -5.01 117.00 121.52 2p1b n LEU 89 Ca -0.19 0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 55.71 2p1b n LEU 89 Cb 0.51 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2p1b n LEU 89 CO 0.28 -0.03 -0.06 0.61 -1.33 0.00 0.00 177.39 176.85 2p1b n GLY 90 N 1.31 -1.15 1.98 -0.72 0.00 -1.22 -4.12 105.19 101.26 2p1b n GLY 90 Ca 0.01 0.66 -0.04 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.47 0.34 3.49 -0.02 0.00 -0.79 -5.00 105.19 101.74 2p1b n GLY 91 Ca -0.18 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.11 3.16 -0.21 1.61 5.99 -0.66 -4.86 117.98 119.90 2p1b s PHE 92 Ca 0.13 -0.30 -0.16 0.00 0.00 0.00 0.00 56.93 56.59 2p1b s PHE 92 Cb -0.02 -2.92 -0.04 0.00 0.00 0.00 0.00 43.02 40.05 2p1b s PHE 92 CO 0.20 -0.69 0.43 -1.21 -0.00 0.00 0.00 175.22 173.96 2p1b s GLU 93 N 2.20 4.15 -0.05 10.12 2.02 -1.26 0.34 118.70 136.22 2p1b s GLU 93 Ca 0.13 0.24 0.04 0.00 0.02 0.00 0.00 54.97 55.41 2p1b s GLU 93 Cb -0.17 -3.57 -0.00 0.00 0.10 0.00 0.00 34.13 30.49 2p1b s GLU 93 CO 0.14 -0.12 -0.19 0.42 0.02 0.00 0.00 175.26 175.54 2p1b s ILE 94 N 1.55 1.55 -0.31 -1.63 1.01 0.97 -4.97 121.20 119.38 2p1b s ILE 94 Ca 0.20 -0.78 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 2p1b s ILE 94 Cb -0.15 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 40.99 2p1b s ILE 94 CO 0.09 0.44 0.96 -0.89 0.00 0.00 0.00 174.94 175.54 2p1b s THR 95 N 0.06 4.63 0.93 2.92 2.01 -1.26 -1.62 115.64 123.31 2p1b s THR 95 Ca -0.05 1.54 -0.11 0.00 0.31 0.00 0.00 61.69 63.38 2p1b s THR 95 Cb -0.13 -4.31 0.11 0.00 0.01 0.00 0.00 72.50 68.19 2p1b s THR 95 CO 0.03 -0.38 0.91 -0.81 -0.69 0.00 0.00 174.62 173.68 2p1b n PRO 96 N 6.58 -0.42 -2.54 4.92 -0.04 -1.26 -4.58 135.00 137.66 2p1b n PRO 96 Ca 0.09 -0.07 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 2p1b n PRO 96 Cb 0.47 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.69 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 -4.32 3.82 0.01 0.54 0.04 -1.26 -5.02 135.00 128.81 2p1b s PRO 97 Ca 0.64 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 2p1b s PRO 97 Cb -0.22 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 2p1b s PRO 97 CO 0.61 -0.42 0.02 0.54 0.04 0.00 0.00 177.00 177.79 2p1b s VAL 98 N -1.94 0.08 -0.05 -0.36 0.11 -0.58 -4.58 120.40 113.08 2p1b s VAL 98 Ca 0.67 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 59.07 2p1b s VAL 98 Cb -0.17 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 2p1b s VAL 98 CO 0.21 -0.38 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.70 2p1b s VAL 99 N -1.17 2.52 -0.08 2.04 1.01 -0.47 -0.62 120.40 123.63 2p1b s VAL 99 Ca -0.13 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 60.99 2p1b s VAL 99 Cb -0.08 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2p1b s VAL 99 CO -0.00 0.58 -0.25 -0.76 0.00 0.00 0.00 175.10 174.67 2p1b s LEU 100 N -0.48 2.08 0.19 3.92 1.43 -0.40 -1.02 118.68 124.39 2p1b s LEU 100 Ca 0.06 -0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.40 2p1b s LEU 100 Cb -0.12 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.77 2p1b s LEU 100 CO 0.01 0.21 0.72 0.00 0.23 0.00 0.00 176.35 177.52 2p1b s ARG 101 N 0.06 1.44 -0.40 1.70 1.70 -0.52 -0.18 118.95 122.74 2p1b s ARG 101 Ca -0.10 -0.69 -0.20 0.00 -0.47 0.00 0.00 55.73 54.27 2p1b s ARG 101 Cb -0.16 0.56 0.01 0.00 -0.57 0.00 0.00 34.95 34.79 2p1b s ARG 101 CO 0.06 -0.65 0.62 -0.51 -1.08 0.00 0.00 175.30 173.74 2p1b s LEU 102 N -2.82 4.42 0.48 -1.89 1.02 -1.26 -0.32 118.68 118.31 2p1b s LEU 102 Ca 0.07 -0.16 0.22 0.00 0.02 0.00 0.00 54.13 54.27 2p1b s LEU 102 Cb -0.03 -2.72 1.25 0.00 0.02 0.00 0.00 46.19 44.71 2p1b s LEU 102 CO -0.03 -0.68 1.93 0.50 0.02 0.00 0.00 176.35 178.10 2p1b h LYS 103 N 8.70 0.19 -1.14 1.70 3.64 -1.02 -3.43 116.57 125.21 2p1b h LYS 103 Ca -0.26 -0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.28 2p1b h LYS 103 Cb 1.10 -0.04 -0.32 0.00 -0.41 0.00 0.00 32.23 32.56 2p1b h LYS 103 CO 0.86 0.13 0.83 0.00 -2.27 0.00 0.00 179.45 178.99 2p1b n GLY 105 N 1.66 4.13 0.56 0.00 0.00 -1.26 -2.55 105.19 107.73 2p1b n GLY 105 Ca -0.10 -0.96 0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -3.56 1.61 4.64 -1.94 -3.11 113.55 111.19 2p1b h SER 106 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2p1b h SER 106 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2p1b h SER 106 CO 0.00 0.00 -0.07 0.61 -0.87 0.00 0.00 176.83 176.50 2p1b n GLY 107 N -1.79 -2.01 3.65 -0.77 0.00 -1.26 -2.33 105.19 100.69 2p1b n GLY 107 Ca 0.28 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 2p1b n GLY 107 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2p1b s PRO 108 N -0.71 0.67 -0.10 1.61 0.02 -1.26 -4.33 135.00 130.90 2p1b s PRO 108 Ca 0.00 0.94 -0.03 0.00 0.02 0.00 0.00 61.00 61.92 2p1b s PRO 108 Cb 0.00 -1.73 0.05 0.00 0.02 0.00 0.00 34.50 32.84 2p1b s PRO 108 CO 0.00 -2.68 0.14 0.08 -0.33 0.00 0.00 177.00 174.22 2p1b s VAL 109 N -2.78 -0.23 -0.21 3.83 1.01 -0.48 -3.42 120.40 118.13 2p1b s VAL 109 Ca 0.65 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.69 2p1b s VAL 109 Cb -0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 2p1b s VAL 109 CO 0.59 0.07 0.63 -1.00 0.00 0.00 0.00 175.10 175.38 2p1b s HIS 110 N 2.26 3.35 -0.15 5.22 3.76 0.14 -2.72 115.29 127.15 2p1b s HIS 110 Ca 0.04 0.90 -0.01 0.00 -0.15 0.00 0.00 55.06 55.84 2p1b s HIS 110 Cb -0.13 -2.80 -0.01 0.00 1.11 0.00 0.00 32.58 30.75 2p1b s HIS 110 CO -0.06 -0.21 -0.12 0.42 -0.85 0.00 0.00 174.74 173.92 2p1b s ILE 111 N 2.03 3.06 0.15 0.60 1.01 -1.00 -0.58 121.20 126.47 2p1b s ILE 111 Ca 0.28 -0.65 0.11 0.00 0.00 0.00 0.00 60.65 60.39 2p1b s ILE 111 Cb -0.16 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2p1b s ILE 111 CO 0.10 0.51 -0.25 -0.94 0.00 0.00 0.00 174.94 174.35 2p1b s SER 112 N 0.57 3.40 0.00 3.58 1.04 -0.40 -1.87 113.70 120.03 2p1b s SER 112 Ca -0.08 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2p1b s SER 112 Cb -0.15 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.71 2p1b s SER 112 CO 0.03 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2p1b n GLY 113 N 0.73 0.96 3.08 7.32 0.00 -0.97 -0.52 105.19 115.79 2p1b n GLY 113 Ca -0.16 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 1.55 0.59 -0.43 1.61 -0.21 0.03 -2.03 119.66 120.76 2p1b s GLN 114 Ca 0.00 -0.86 -0.07 0.00 0.02 0.00 0.00 55.36 54.45 2p1b s GLN 114 Cb 0.00 -0.29 0.11 0.00 1.00 0.00 0.00 33.01 33.83 2p1b s GLN 114 CO 0.00 0.04 0.27 -1.58 -2.12 0.00 0.00 175.29 171.90 2p1b s HIS 115 N -1.77 3.46 -0.06 0.91 5.65 0.05 -1.47 115.29 122.06 2p1b s HIS 115 Ca -0.06 -2.00 -0.13 0.00 0.25 0.00 0.00 55.06 53.12 2p1b s HIS 115 Cb -0.07 -3.26 -0.05 0.00 -1.18 0.00 0.00 32.58 28.02 2p1b s HIS 115 CO -0.00 -0.95 0.34 -0.51 -0.65 0.00 0.00 174.74 172.96 2p1b s LEU 116 N 1.29 4.40 -0.05 8.88 1.43 0.01 -2.04 118.68 132.61 2p1b s LEU 116 Ca 0.06 0.77 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2p1b s LEU 116 Cb -0.24 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 2p1b s LEU 116 CO -0.01 0.27 -0.17 -0.69 0.23 0.00 0.00 176.35 175.98 2p1b s VAL 117 N -0.61 1.41 0.00 -1.59 1.01 0.44 -1.39 120.40 119.66 2p1b s VAL 117 Ca 0.21 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2p1b s VAL 117 Cb -0.15 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2p1b s VAL 117 CO 0.10 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.60