#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bsr s ILE 1 N 0.00 4.27 -0.12 2.02 -4.36 -1.26 -5.09 121.20 116.65 2bsr s ILE 1 Ca 0.00 -0.24 -0.01 0.00 -0.26 0.00 0.00 60.65 60.14 2bsr s ILE 1 Cb 0.00 -3.02 -0.02 0.00 1.25 0.00 0.00 42.46 40.67 2bsr s ILE 1 CO 0.00 0.31 -0.10 -1.10 0.24 0.00 0.00 174.94 174.28 2bsr s GLN 2 N 1.60 3.32 -0.19 0.37 -0.21 -1.26 -4.71 119.66 118.57 2bsr s GLN 2 Ca 0.06 -0.63 -0.00 0.00 0.02 0.00 0.00 55.36 54.81 2bsr s GLN 2 Cb -0.15 -2.68 0.01 0.00 1.00 0.00 0.00 33.01 31.19 2bsr s GLN 2 CO 0.03 0.31 -0.15 1.03 -2.12 0.00 0.00 175.29 174.39 2bsr s ARG 3 N 0.13 3.10 0.46 2.91 0.52 0.88 -4.95 118.95 122.01 2bsr s ARG 3 Ca -0.05 -0.77 -0.24 0.00 -0.52 0.00 0.00 55.73 54.15 2bsr s ARG 3 Cb -0.14 -2.71 -0.07 0.00 0.52 0.00 0.00 34.95 32.55 2bsr s ARG 3 CO 0.04 -0.21 1.27 0.99 0.02 0.00 0.00 175.30 177.41 2bsr s THR 4 N 1.35 2.66 0.45 0.02 2.01 -1.26 -0.81 115.64 120.05 2bsr s THR 4 Ca 0.05 0.53 -0.21 0.00 0.31 0.00 0.00 61.69 62.37 2bsr s THR 4 Cb -0.13 -3.29 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 2bsr s THR 4 CO -0.10 0.03 1.00 -2.16 -0.69 0.00 0.00 174.62 172.70 2bsr s PRO 5 N -2.56 4.04 0.15 4.92 0.04 -1.26 -4.21 135.00 136.11 2bsr s PRO 5 Ca 0.63 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 2bsr s PRO 5 Cb -0.35 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.91 2bsr s PRO 5 CO 0.44 -0.22 0.48 0.15 0.04 0.00 0.00 177.00 177.89 2bsr s LYS 6 N -3.06 3.82 -0.04 4.56 1.02 0.60 -4.90 119.74 121.74 2bsr s LYS 6 Ca 0.63 0.26 0.05 0.00 0.02 0.00 0.00 55.97 56.93 2bsr s LYS 6 Cb -0.15 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 2bsr s LYS 6 CO 0.19 0.46 -0.18 0.42 -0.92 0.00 0.00 175.35 175.31 2bsr s ILE 7 N -1.56 1.50 -0.08 2.17 -1.09 -1.26 -2.18 121.20 118.70 2bsr s ILE 7 Ca 0.39 -0.77 -0.03 0.00 -2.23 0.00 0.00 60.65 58.01 2bsr s ILE 7 Cb -0.13 -1.28 0.04 0.00 -1.58 0.00 0.00 42.46 39.51 2bsr s ILE 7 CO 0.20 0.43 0.07 -1.10 -1.23 0.00 0.00 174.94 173.31 2bsr s GLN 8 N -0.08 -0.01 -0.20 2.79 -0.21 -0.49 -4.99 119.66 116.47 2bsr s GLN 8 Ca -0.01 0.22 -0.03 0.00 0.02 0.00 0.00 55.36 55.55 2bsr s GLN 8 Cb -0.11 -0.95 -0.01 0.00 1.00 0.00 0.00 33.01 32.94 2bsr s GLN 8 CO 0.02 -0.44 -0.06 0.54 -2.12 0.00 0.00 175.29 173.23 2bsr s VAL 9 N 2.15 3.38 0.32 1.09 0.11 -1.26 -0.70 120.40 125.49 2bsr s VAL 9 Ca 0.04 -0.50 -0.15 0.00 -2.93 0.00 0.00 61.98 58.44 2bsr s VAL 9 Cb -0.13 -2.51 0.03 0.00 -1.53 0.00 0.00 36.38 32.23 2bsr s VAL 9 CO -0.05 0.45 0.67 -0.72 -3.33 0.00 0.00 175.10 172.12 2bsr s TYR 10 N 1.14 0.20 0.16 1.54 1.13 -0.16 -4.44 117.35 116.92 2bsr s TYR 10 Ca 0.02 -0.69 0.04 0.00 -1.41 0.00 0.00 57.07 55.03 2bsr s TYR 10 Cb -0.14 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 2bsr s TYR 10 CO -0.01 -1.30 0.18 -1.54 -2.51 0.00 0.00 175.55 170.36 2bsr s SER 11 N -3.04 5.74 0.24 -0.18 1.04 -1.26 0.64 113.70 116.88 2bsr s SER 11 Ca 0.17 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 2bsr s SER 11 Cb -0.04 -1.57 0.25 0.00 0.10 0.00 0.00 66.02 64.76 2bsr s SER 11 CO 0.11 0.07 1.74 -0.09 0.98 0.00 0.00 173.24 176.04 2bsr h ARG 12 N 2.34 0.91 -5.68 4.02 2.43 -1.55 -3.44 114.38 113.41 2bsr h ARG 12 Ca -0.48 -0.24 -0.47 0.00 -0.81 0.00 0.00 59.98 57.98 2bsr h ARG 12 Cb 1.20 -0.11 -0.16 0.00 -0.42 0.00 0.00 29.97 30.48 2bsr h ARG 12 CO 0.65 0.88 -0.75 -1.01 -1.51 0.00 0.00 179.97 178.22 2bsr s HIS 13 N -5.07 1.73 0.09 2.20 3.76 -1.26 -5.04 115.29 111.70 2bsr s HIS 13 Ca -0.10 -0.53 -0.35 0.00 -0.15 0.00 0.00 55.06 53.93 2bsr s HIS 13 Cb 0.15 -0.83 -0.14 0.00 1.11 0.00 0.00 32.58 32.87 2bsr s HIS 13 CO 0.83 0.34 1.59 -2.30 -0.85 0.00 0.00 174.74 174.35 2bsr n PRO 14 N -0.10 1.95 -1.63 8.40 -0.02 -1.26 -4.86 135.00 137.48 2bsr n PRO 14 Ca -0.10 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 2bsr n PRO 14 Cb 0.59 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 2bsr n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bsr n ALA 15 N 3.85 0.29 -3.28 3.55 0.00 -1.26 -4.99 120.51 118.67 2bsr n ALA 15 Ca 0.18 0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.91 2bsr n ALA 15 Cb 0.27 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 2bsr n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2bsr s GLU 16 N -1.72 0.56 0.04 0.00 2.12 -1.26 -5.11 118.70 113.33 2bsr s GLU 16 Ca 0.58 -0.15 -0.38 0.00 0.36 0.00 0.00 54.97 55.39 2bsr s GLU 16 Cb -0.64 -0.27 -0.19 0.00 0.26 0.00 0.00 34.13 33.29 2bsr s GLU 16 CO 0.60 -1.11 1.00 0.09 -0.54 0.00 0.00 175.26 175.30 2bsr n ASN 17 N 4.90 -0.08 0.00 -1.70 3.02 -1.26 -0.02 115.26 120.12 2bsr n ASN 17 Ca 0.06 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 2bsr n ASN 17 Cb 0.50 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 2bsr n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bsr n GLY 18 N 1.65 2.19 3.51 7.41 0.00 -0.36 -4.98 105.19 114.61 2bsr n GLY 18 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2bsr n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bsr s LYS 19 N -0.27 3.74 0.38 1.61 2.20 0.97 -4.99 119.74 123.37 2bsr s LYS 19 Ca 0.00 -0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 54.88 2bsr s LYS 19 Cb 0.00 -3.12 -0.11 0.00 -1.51 0.00 0.00 37.83 33.09 2bsr s LYS 19 CO 0.00 0.11 1.23 0.45 -0.36 0.00 0.00 175.35 176.78 2bsr n SER 20 N 3.99 2.42 -0.13 1.43 2.88 -1.26 -4.32 113.62 118.62 2bsr n SER 20 Ca -0.17 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2bsr n SER 20 Cb 0.52 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2bsr n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bsr n ASN 21 N 0.56 0.00 -3.89 -3.46 2.85 0.18 -4.98 115.26 106.53 2bsr n ASN 21 Ca 0.06 -0.13 -0.19 0.00 -0.11 0.00 0.00 54.58 54.21 2bsr n ASN 21 Cb 0.37 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.23 2bsr n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2bsr s PHE 22 N -2.86 0.66 -0.19 1.20 0.40 -1.26 -1.51 117.98 114.42 2bsr s PHE 22 Ca 0.00 -0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.03 2bsr s PHE 22 Cb 0.00 -0.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.90 2bsr s PHE 22 CO 0.00 -0.16 0.31 -1.17 0.70 0.00 0.00 175.22 174.90 2bsr s LEU 23 N 0.79 4.20 0.00 -0.37 2.96 0.34 -1.23 118.68 125.38 2bsr s LEU 23 Ca -0.10 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 2bsr s LEU 23 Cb -0.13 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 2bsr s LEU 23 CO 0.00 0.04 -0.24 0.20 -1.32 0.00 0.00 176.35 175.03 2bsr s ASN 24 N 0.74 3.26 -0.28 3.68 0.01 0.21 -2.02 114.94 120.54 2bsr s ASN 24 Ca 0.16 -0.48 -0.00 0.00 -0.71 0.00 0.00 52.86 51.83 2bsr s ASN 24 Cb -0.14 -0.40 0.09 0.00 0.41 0.00 0.00 41.25 41.21 2bsr s ASN 24 CO 0.05 0.30 0.05 0.00 -1.51 0.00 0.00 177.10 175.99 2bsr s TYR 26 N 1.51 3.31 -0.13 0.00 5.04 0.12 -1.58 117.35 125.62 2bsr s TYR 26 Ca 0.05 0.42 0.01 0.00 -2.44 0.00 0.00 57.07 55.12 2bsr s TYR 26 Cb -0.18 -2.47 -0.00 0.00 0.35 0.00 0.00 41.96 39.66 2bsr s TYR 26 CO -0.17 -0.07 -0.18 0.14 -1.34 0.00 0.00 175.55 173.93 2bsr s VAL 27 N 1.53 2.54 0.30 3.14 -7.23 -0.49 -1.40 120.40 118.79 2bsr s VAL 27 Ca 0.14 -0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2bsr s VAL 27 Cb -0.15 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 2bsr s VAL 27 CO 0.08 0.53 0.37 -0.94 -0.31 0.00 0.00 175.10 174.83 2bsr s SER 28 N 0.52 0.78 -1.88 4.85 1.04 -0.93 0.01 113.70 118.09 2bsr s SER 28 Ca -0.12 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.87 2bsr s SER 28 Cb -0.16 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2bsr s SER 28 CO 0.04 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2bsr n GLY 29 N -0.49 1.71 3.83 7.32 0.00 -0.37 -0.29 105.19 116.89 2bsr n GLY 29 Ca 0.02 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 2bsr n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bsr s PHE 30 N -2.56 3.16 -0.28 1.61 -0.71 -1.15 -4.50 117.98 113.54 2bsr s PHE 30 Ca 0.00 -0.07 -0.20 0.00 -1.04 0.00 0.00 56.93 55.63 2bsr s PHE 30 Cb 0.00 -1.46 0.11 0.00 -1.21 0.00 0.00 43.02 40.46 2bsr s PHE 30 CO 0.00 0.52 0.87 -1.58 -1.34 0.00 0.00 175.22 173.68 2bsr s HIS 31 N -1.98 -0.72 1.24 3.49 2.46 0.01 -0.94 115.29 118.85 2bsr s HIS 31 Ca 0.32 1.55 -0.21 0.00 0.47 0.00 0.00 55.06 57.20 2bsr s HIS 31 Cb -0.09 0.42 0.31 0.00 -0.13 0.00 0.00 32.58 33.09 2bsr s HIS 31 CO 0.25 -0.35 1.10 -1.25 -2.47 0.00 0.00 174.74 172.02 2bsr s PRO 32 N 1.00 -1.57 0.30 2.88 0.04 -1.26 -0.08 135.00 136.30 2bsr s PRO 32 Ca -0.05 -0.15 0.26 0.00 0.04 0.00 0.00 61.00 61.09 2bsr s PRO 32 Cb -0.05 -1.56 0.97 0.00 0.04 0.00 0.00 34.50 33.91 2bsr s PRO 32 CO -0.12 -3.92 1.76 0.66 0.04 0.00 0.00 177.00 175.42 2bsr h SER 33 N -2.73 0.00 -2.48 6.66 4.64 -1.99 -3.45 113.55 114.21 2bsr h SER 33 Ca -0.43 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.35 2bsr h SER 33 Cb 1.29 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2bsr h SER 33 CO 0.30 0.00 1.17 -1.81 -0.87 0.00 0.00 176.83 175.62 2bsr s ASP 34 N -4.59 6.53 -0.21 4.97 1.01 -1.26 -4.95 116.67 118.17 2bsr s ASP 34 Ca 0.05 2.44 -0.23 0.00 0.71 0.00 0.00 52.55 55.52 2bsr s ASP 34 Cb 0.10 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.56 2bsr s ASP 34 CO 0.47 -1.02 0.64 -0.51 0.21 0.00 0.00 175.17 174.96 2bsr s ILE 35 N 4.35 0.00 -0.19 0.77 2.07 -1.26 -4.66 121.20 122.29 2bsr s ILE 35 Ca 0.82 -0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 60.00 2bsr s ILE 35 Cb -0.38 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.29 2bsr s ILE 35 CO 0.36 -0.01 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.73 2bsr s GLU 36 N 0.07 3.54 -0.04 3.50 0.41 -0.49 -4.98 118.70 120.72 2bsr s GLU 36 Ca -0.02 -0.57 0.01 0.00 -0.41 0.00 0.00 54.97 53.99 2bsr s GLU 36 Cb -0.04 -2.97 0.01 0.00 -1.78 0.00 0.00 34.13 29.35 2bsr s GLU 36 CO 0.02 0.03 -0.06 0.08 -0.49 0.00 0.00 175.26 174.85 2bsr s VAL 37 N 0.91 0.59 0.01 2.63 1.01 -1.26 -0.28 120.40 124.00 2bsr s VAL 37 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2bsr s VAL 37 Cb -0.15 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 2bsr s VAL 37 CO 0.01 0.22 -0.05 -1.81 0.00 0.00 0.00 175.10 173.47 2bsr s ASP 38 N 0.61 0.60 -0.11 3.32 1.01 -0.23 -4.99 116.67 116.90 2bsr s ASP 38 Ca -0.09 -0.20 -0.05 0.00 0.71 0.00 0.00 52.55 52.92 2bsr s ASP 38 Cb -0.12 -0.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.74 2bsr s ASP 38 CO 0.00 -0.02 0.08 -0.76 0.21 0.00 0.00 175.17 174.69 2bsr s LEU 39 N -0.49 4.04 0.05 1.23 1.43 -1.26 -0.04 118.68 123.63 2bsr s LEU 39 Ca -0.02 0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 2bsr s LEU 39 Cb -0.04 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2bsr s LEU 39 CO -0.00 0.39 -0.19 -0.76 0.23 0.00 0.00 176.35 176.02 2bsr s LEU 40 N -0.93 2.19 -0.27 1.79 1.43 0.11 -1.88 118.68 121.12 2bsr s LEU 40 Ca 0.14 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2bsr s LEU 40 Cb -0.12 -0.88 0.07 0.00 0.03 0.00 0.00 46.19 45.30 2bsr s LEU 40 CO 0.03 0.12 -0.07 -0.75 0.23 0.00 0.00 176.35 175.90 2bsr s LYS 41 N -1.28 2.02 -1.23 1.70 2.20 0.16 -1.80 119.74 121.50 2bsr s LYS 41 Ca 0.06 -1.40 -0.01 0.00 -0.36 0.00 0.00 55.97 54.26 2bsr s LYS 41 Cb -0.09 -2.90 -0.00 0.00 -1.51 0.00 0.00 37.83 33.32 2bsr s LYS 41 CO 0.02 -0.64 0.87 0.09 -0.36 0.00 0.00 175.35 175.33 2bsr n ASN 42 N 4.43 -2.01 0.00 1.43 3.02 0.43 -2.14 115.26 120.42 2bsr n ASN 42 Ca -0.10 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2bsr n ASN 42 Cb 0.42 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 2bsr n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bsr n GLY 43 N -1.32 2.12 3.87 7.41 0.00 -1.26 -4.99 105.19 111.03 2bsr n GLY 43 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2bsr n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bsr s GLU 44 N 0.00 3.55 0.42 1.61 0.41 -0.91 -5.01 118.70 118.76 2bsr s GLU 44 Ca 0.00 -0.03 -0.25 0.00 -0.41 0.00 0.00 54.97 54.27 2bsr s GLU 44 Cb 0.00 -3.17 -0.08 0.00 -1.78 0.00 0.00 34.13 29.10 2bsr s GLU 44 CO 0.00 0.74 1.26 0.50 -0.49 0.00 0.00 175.26 177.26 2bsr s ARG 45 N -1.21 3.92 -0.16 1.61 3.52 -1.26 -0.67 118.95 124.70 2bsr s ARG 45 Ca 0.19 2.04 -0.10 0.00 -0.13 0.00 0.00 55.73 57.73 2bsr s ARG 45 Cb -0.13 -2.67 -0.05 0.00 -1.56 0.00 0.00 34.95 30.54 2bsr s ARG 45 CO 0.08 -0.49 0.18 0.42 -0.81 0.00 0.00 175.30 174.68 2bsr s ILE 46 N -1.33 5.40 0.88 4.11 1.01 -0.79 -4.84 121.20 125.63 2bsr s ILE 46 Ca 0.58 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 61.40 2bsr s ILE 46 Cb -0.35 -3.50 0.15 0.00 0.01 0.00 0.00 42.46 38.77 2bsr s ILE 46 CO 0.45 0.48 1.23 -1.61 0.00 0.00 0.00 174.94 175.49 2bsr s GLU 47 N -0.02 1.25 -0.82 2.79 2.02 -1.26 -4.52 118.70 118.14 2bsr s GLU 47 Ca 0.12 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.81 2bsr s GLU 47 Cb -0.12 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.17 2bsr s GLU 47 CO 0.01 -2.00 0.64 1.63 0.02 0.00 0.00 175.26 175.56 2bsr n LYS 48 N -3.49 -1.44 -5.10 1.61 5.02 -1.26 -4.99 118.16 108.51 2bsr n LYS 48 Ca 0.12 0.94 -0.30 0.00 -2.02 0.00 0.00 58.31 57.05 2bsr n LYS 48 Cb 0.60 -3.33 -0.17 0.00 -0.02 0.00 0.00 35.03 32.11 2bsr n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2bsr s VAL 49 N -3.02 1.87 0.36 -0.18 1.01 -1.26 -4.83 120.40 114.35 2bsr s VAL 49 Ca 0.03 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2bsr s VAL 49 Cb -0.01 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2bsr s VAL 49 CO 0.86 0.52 0.23 -1.61 0.00 0.00 0.00 175.10 175.10 2bsr s GLU 50 N 0.32 2.50 0.01 2.72 2.02 -0.71 -4.94 118.70 120.61 2bsr s GLU 50 Ca -0.16 -1.49 -0.17 0.00 0.02 0.00 0.00 54.97 53.17 2bsr s GLU 50 Cb -0.17 -2.29 0.03 0.00 0.10 0.00 0.00 34.13 31.80 2bsr s GLU 50 CO 0.07 0.03 0.36 -3.38 0.02 0.00 0.00 175.26 172.36 2bsr s HIS 51 N -2.41 -0.22 0.82 1.61 -3.43 -1.26 -0.93 115.29 109.47 2bsr s HIS 51 Ca 0.41 0.27 -0.11 0.00 -0.80 0.00 0.00 55.06 54.83 2bsr s HIS 51 Cb -0.03 0.15 0.08 0.00 -1.43 0.00 0.00 32.58 31.35 2bsr s HIS 51 CO 0.25 -0.47 1.09 -1.54 -2.00 0.00 0.00 174.74 172.07 2bsr s SER 52 N -1.60 4.13 0.25 7.38 1.04 -0.47 -4.98 113.70 119.44 2bsr s SER 52 Ca -0.10 1.70 -0.30 0.00 0.48 0.00 0.00 55.95 57.73 2bsr s SER 52 Cb -0.03 -2.39 -0.09 0.00 0.10 0.00 0.00 66.02 63.61 2bsr s SER 52 CO 0.02 -2.26 0.97 -1.81 0.98 0.00 0.00 173.24 171.14 2bsr s ASP 53 N -3.41 7.58 0.10 7.02 1.01 -1.26 -4.69 116.67 123.03 2bsr s ASP 53 Ca 0.62 2.00 -0.35 0.00 0.71 0.00 0.00 52.55 55.53 2bsr s ASP 53 Cb -0.17 -2.61 -0.17 0.00 1.01 0.00 0.00 42.92 40.97 2bsr s ASP 53 CO 0.56 0.11 1.10 -0.11 0.21 0.00 0.00 175.17 177.04 2bsr n LEU 54 N 1.42 0.76 -4.12 1.23 7.94 -1.26 -4.97 117.00 118.00 2bsr n LEU 54 Ca -0.02 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.91 2bsr n LEU 54 Cb 0.47 -1.09 -0.08 0.00 0.53 0.00 0.00 43.42 43.25 2bsr n LEU 54 CO 0.51 -1.63 -0.05 -0.55 -1.11 0.00 0.00 177.39 174.56 2bsr s SER 55 N -0.01 0.21 0.04 1.96 0.15 -1.23 -5.05 113.70 109.77 2bsr s SER 55 Ca 0.80 -1.25 -0.10 0.00 0.70 0.00 0.00 55.95 56.10 2bsr s SER 55 Cb -1.01 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 63.79 2bsr s SER 55 CO 0.53 -1.00 0.20 0.72 1.20 0.00 0.00 173.24 174.89 2bsr s PHE 56 N -3.97 0.04 0.87 3.44 -0.12 -1.26 -1.82 117.98 115.16 2bsr s PHE 56 Ca 0.32 -0.24 -0.10 0.00 -0.05 0.00 0.00 56.93 56.86 2bsr s PHE 56 Cb 0.03 -0.02 0.17 0.00 -0.63 0.00 0.00 43.02 42.57 2bsr s PHE 56 CO 0.13 -0.43 1.20 -1.12 -0.05 0.00 0.00 175.22 174.94 2bsr s SER 57 N -2.04 3.63 0.49 1.98 0.01 0.18 -4.90 113.70 113.05 2bsr s SER 57 Ca -0.06 0.06 0.19 0.00 1.31 0.00 0.00 55.95 57.46 2bsr s SER 57 Cb -0.01 -0.25 1.23 0.00 0.21 0.00 0.00 66.02 67.19 2bsr s SER 57 CO -0.03 -2.37 2.01 0.11 0.41 0.00 0.00 173.24 173.36 2bsr h LYS 58 N -1.21 0.17 -0.62 12.44 1.57 -2.03 0.19 116.57 127.09 2bsr h LYS 58 Ca -0.42 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2bsr h LYS 58 Cb 1.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2bsr h LYS 58 CO 0.40 0.11 0.00 -0.40 -0.57 0.00 0.00 179.45 178.99 2bsr n ASP 59 N -4.44 2.40 0.00 0.86 5.68 -1.26 -4.88 116.55 114.91 2bsr n ASP 59 Ca 0.08 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 2bsr n ASP 59 Cb 0.45 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 2bsr n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2bsr n TRP 60 N 0.31 0.00 -2.30 2.11 7.02 0.67 -4.98 117.44 120.26 2bsr n TRP 60 Ca 0.11 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.22 2bsr n TRP 60 Cb 0.48 -0.57 -0.01 0.00 -2.42 0.00 0.00 31.31 28.79 2bsr n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2bsr s SER 61 N -2.83 6.20 0.45 -0.99 1.04 -1.26 -4.64 113.70 111.67 2bsr s SER 61 Ca 0.00 2.25 -0.10 0.00 0.48 0.00 0.00 55.95 58.58 2bsr s SER 61 Cb 0.00 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 2bsr s SER 61 CO 0.00 -0.89 0.82 -0.36 0.98 0.00 0.00 173.24 173.79 2bsr s PHE 62 N -1.60 3.50 -0.02 5.02 0.08 -0.12 -0.65 117.98 124.20 2bsr s PHE 62 Ca 0.64 1.07 -0.08 0.00 0.12 0.00 0.00 56.93 58.68 2bsr s PHE 62 Cb -0.27 -2.48 0.01 0.00 -0.57 0.00 0.00 43.02 39.71 2bsr s PHE 62 CO 0.32 -0.22 0.18 1.52 -0.10 0.00 0.00 175.22 176.92 2bsr s TYR 63 N -2.55 -0.07 -0.00 0.36 -0.85 -0.75 -1.24 117.35 112.25 2bsr s TYR 63 Ca 0.52 0.12 -0.12 0.00 -0.52 0.00 0.00 57.07 57.06 2bsr s TYR 63 Cb -0.10 0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.26 2bsr s TYR 63 CO 0.36 -0.25 0.25 -0.51 -1.52 0.00 0.00 175.55 173.89 2bsr s LEU 64 N -0.93 1.08 -0.20 -3.49 1.43 0.10 -3.51 118.68 113.16 2bsr s LEU 64 Ca -0.10 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2bsr s LEU 64 Cb -0.05 1.09 0.02 0.00 0.03 0.00 0.00 46.19 47.27 2bsr s LEU 64 CO 0.02 -0.44 -0.14 -0.22 0.23 0.00 0.00 176.35 175.79 2bsr s LEU 65 N -1.42 2.51 -0.13 1.79 2.96 -1.26 -1.39 118.68 121.74 2bsr s LEU 65 Ca -0.13 -0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 53.05 2bsr s LEU 65 Cb -0.06 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 2bsr s LEU 65 CO 0.03 -0.03 0.04 -0.31 -1.32 0.00 0.00 176.35 174.76 2bsr s TYR 66 N 1.32 3.25 0.15 5.38 1.51 -0.62 -1.37 117.35 126.97 2bsr s TYR 66 Ca 0.03 0.15 -0.07 0.00 -1.01 0.00 0.00 57.07 56.17 2bsr s TYR 66 Cb -0.14 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2bsr s TYR 66 CO -0.09 0.34 0.24 1.52 -1.11 0.00 0.00 175.55 176.45 2bsr s TYR 67 N -0.32 0.47 -0.28 2.71 1.13 -0.10 -0.66 117.35 120.29 2bsr s TYR 67 Ca 0.08 -0.84 -0.25 0.00 -1.41 0.00 0.00 57.07 54.65 2bsr s TYR 67 Cb -0.12 -0.14 0.11 0.00 -1.10 0.00 0.00 41.96 40.72 2bsr s TYR 67 CO 0.02 -0.67 0.99 -0.08 -2.51 0.00 0.00 175.55 173.29 2bsr s THR 68 N -3.98 0.00 0.32 -3.49 -1.32 -0.86 -1.75 115.64 104.57 2bsr s THR 68 Ca 0.18 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.38 2bsr s THR 68 Cb 0.04 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.94 2bsr s THR 68 CO -0.00 0.00 1.13 -0.70 -2.21 0.00 0.00 174.62 172.84 2bsr s GLU 69 N 0.26 4.46 0.21 7.08 2.12 -1.26 -0.50 118.70 131.07 2bsr s GLU 69 Ca 0.03 1.83 -0.21 0.00 0.36 0.00 0.00 54.97 56.97 2bsr s GLU 69 Cb -0.05 -3.02 0.04 0.00 0.26 0.00 0.00 34.13 31.36 2bsr s GLU 69 CO -0.05 0.04 0.62 -0.59 -0.54 0.00 0.00 175.26 174.74 2bsr s PHE 70 N -1.25 -0.34 -0.34 5.30 -0.71 -0.57 -4.87 117.98 115.21 2bsr s PHE 70 Ca 0.48 0.01 0.02 0.00 -1.04 0.00 0.00 56.93 56.40 2bsr s PHE 70 Cb -0.32 0.58 0.10 0.00 -1.21 0.00 0.00 43.02 42.17 2bsr s PHE 70 CO 0.41 -1.00 0.09 0.99 -1.34 0.00 0.00 175.22 174.37 2bsr s THR 71 N -3.83 1.61 0.98 -4.49 2.01 -1.26 0.52 115.64 111.17 2bsr s THR 71 Ca 0.06 -1.97 -0.11 0.00 0.31 0.00 0.00 61.69 59.98 2bsr s THR 71 Cb -0.03 -2.19 0.18 0.00 0.01 0.00 0.00 72.50 70.47 2bsr s THR 71 CO -0.04 -0.66 1.09 -2.16 -0.69 0.00 0.00 174.62 172.16 2bsr s PRO 72 N 1.15 0.50 0.27 4.92 0.04 -1.26 -4.74 135.00 135.88 2bsr s PRO 72 Ca 0.11 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.26 2bsr s PRO 72 Cb -0.19 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2bsr s PRO 72 CO -0.15 -2.86 0.39 0.95 0.04 0.00 0.00 177.00 175.37 2bsr s THR 73 N -2.65 0.00 -0.63 1.26 -4.23 -1.26 -1.22 115.64 106.91 2bsr s THR 73 Ca 0.66 -1.64 0.25 0.00 -1.18 0.00 0.00 61.69 59.79 2bsr s THR 73 Cb -0.22 -2.44 0.30 0.00 1.34 0.00 0.00 72.50 71.48 2bsr s THR 73 CO 0.60 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.32 2bsr h GLU 74 N 2.28 0.00 0.00 3.99 4.57 -1.97 -3.36 114.58 120.09 2bsr h GLU 74 Ca -0.29 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.77 2bsr h GLU 74 Cb 1.25 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 2bsr h GLU 74 CO 0.41 0.00 -0.91 0.36 -1.18 0.00 0.00 179.01 177.68 2bsr n LYS 75 N -2.54 0.51 -1.68 1.92 2.85 -1.26 -4.97 118.16 112.99 2bsr n LYS 75 Ca 0.05 0.54 -0.41 0.00 -1.05 0.00 0.00 58.31 57.44 2bsr n LYS 75 Cb 0.46 -1.71 0.01 0.00 -0.65 0.00 0.00 35.03 33.14 2bsr n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2bsr n ASP 76 N -4.52 2.22 -4.53 -5.58 8.00 -1.26 -5.01 116.55 105.87 2bsr n ASP 76 Ca -0.20 1.09 -0.34 0.00 0.71 0.00 0.00 54.79 56.05 2bsr n ASP 76 Cb 0.48 -1.46 -0.12 0.00 -0.02 0.00 0.00 41.12 39.99 2bsr n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bsr s GLU 77 N -2.18 3.09 0.02 -1.24 0.41 -1.26 -4.75 118.70 112.79 2bsr s GLU 77 Ca 0.62 -0.56 0.06 0.00 -0.41 0.00 0.00 54.97 54.68 2bsr s GLU 77 Cb -0.52 -2.69 -0.02 0.00 -1.78 0.00 0.00 34.13 29.13 2bsr s GLU 77 CO 0.57 0.49 -0.18 0.71 -0.49 0.00 0.00 175.26 176.36 2bsr s TYR 78 N -0.33 1.56 0.21 1.61 2.02 -1.26 -0.42 117.35 120.74 2bsr s TYR 78 Ca 0.05 -0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.28 2bsr s TYR 78 Cb -0.12 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.48 2bsr s TYR 78 CO 0.02 0.02 0.46 0.00 -1.57 0.00 0.00 175.55 174.48 2bsr s ALA 79 N -0.62 -0.44 -0.08 3.71 0.00 -0.75 0.60 121.76 124.19 2bsr s ALA 79 Ca 0.06 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.41 2bsr s ALA 79 Cb -0.08 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 2bsr s ALA 79 CO 0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 175.76 174.75 2bsr s ARG 81 N 0.21 3.15 0.02 0.00 3.52 0.94 -0.80 118.95 125.99 2bsr s ARG 81 Ca -0.12 -0.75 0.08 0.00 -0.13 0.00 0.00 55.73 54.81 2bsr s ARG 81 Cb -0.16 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.50 2bsr s ARG 81 CO 0.06 -0.15 -0.23 0.08 -0.81 0.00 0.00 175.30 174.24 2bsr s VAL 82 N 1.23 2.34 -0.06 7.11 1.01 0.76 -1.06 120.40 131.73 2bsr s VAL 82 Ca 0.03 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 60.84 2bsr s VAL 82 Cb -0.14 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2bsr s VAL 82 CO -0.07 0.44 -0.17 0.20 0.00 0.00 0.00 175.10 175.51 2bsr s ASN 83 N -1.06 2.16 -0.19 3.32 0.02 0.62 -0.53 114.94 119.29 2bsr s ASN 83 Ca 0.12 -0.36 -0.22 0.00 -1.02 0.00 0.00 52.86 51.37 2bsr s ASN 83 Cb -0.10 -0.78 0.06 0.00 0.02 0.00 0.00 41.25 40.45 2bsr s ASN 83 CO 0.02 0.12 0.60 -2.28 0.02 0.00 0.00 177.10 175.57 2bsr s HIS 84 N 0.27 -0.63 0.53 2.20 2.46 -1.26 -1.39 115.29 117.47 2bsr s HIS 84 Ca -0.09 1.46 0.40 0.00 0.47 0.00 0.00 55.06 57.29 2bsr s HIS 84 Cb -0.14 0.25 1.58 0.00 -0.13 0.00 0.00 32.58 34.14 2bsr s HIS 84 CO 0.04 -0.37 1.71 -0.24 -2.47 0.00 0.00 174.74 173.40 2bsr h VAL 85 N 3.98 0.25 0.00 0.89 3.04 -1.96 2.09 116.25 124.53 2bsr h VAL 85 Ca -0.28 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2bsr h VAL 85 Cb 1.16 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 2bsr h VAL 85 CO 0.18 0.01 0.00 0.35 -1.01 0.00 0.00 177.57 177.10 2bsr n THR 86 N -4.17 0.50 -3.65 3.17 -2.24 -1.26 -4.66 114.28 101.97 2bsr n THR 86 Ca 0.33 0.12 -0.38 0.00 -2.27 0.00 0.00 64.05 61.86 2bsr n THR 86 Cb 1.51 -0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 68.85 2bsr n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bsr s LEU 87 N -2.84 3.93 0.42 3.22 1.43 0.71 -4.94 118.68 120.60 2bsr s LEU 87 Ca 0.14 -0.23 0.29 0.00 -1.03 0.00 0.00 54.13 53.29 2bsr s LEU 87 Cb 0.14 -2.04 1.49 0.00 0.03 0.00 0.00 46.19 45.81 2bsr s LEU 87 CO 0.35 -0.10 1.88 0.77 0.23 0.00 0.00 176.35 179.49 2bsr h SER 88 N 8.34 0.00 -4.41 2.29 4.64 -1.83 -3.43 113.55 119.15 2bsr h SER 88 Ca -0.35 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.09 2bsr h SER 88 Cb 1.17 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 2bsr h SER 88 CO 0.58 0.00 0.56 0.00 -0.87 0.00 0.00 176.83 177.10 2bsr s GLN 89 N -3.68 0.67 -0.01 4.77 -2.07 -1.26 -5.14 119.66 112.95 2bsr s GLN 89 Ca -0.02 -0.13 -0.37 0.00 -1.82 0.00 0.00 55.36 53.02 2bsr s GLN 89 Cb 0.09 0.31 -0.15 0.00 -1.09 0.00 0.00 33.01 32.16 2bsr s GLN 89 CO 0.31 -0.27 1.53 -2.30 -1.32 0.00 0.00 175.29 173.24 2bsr n PRO 90 N 0.09 1.43 -3.52 9.60 -0.02 -1.26 -4.91 135.00 136.41 2bsr n PRO 90 Ca -0.08 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.55 2bsr n PRO 90 Cb 0.60 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 2bsr n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2bsr s LYS 91 N 1.66 4.14 -0.19 -0.52 2.20 0.31 -4.89 119.74 122.44 2bsr s LYS 91 Ca 0.88 0.21 0.01 0.00 -0.36 0.00 0.00 55.97 56.71 2bsr s LYS 91 Cb -0.91 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.07 2bsr s LYS 91 CO 0.50 0.36 -0.18 0.42 -0.36 0.00 0.00 175.35 176.09 2bsr s ILE 92 N 0.06 2.13 -0.24 5.43 1.01 -1.26 -0.17 121.20 128.16 2bsr s ILE 92 Ca 0.20 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 2bsr s ILE 92 Cb -0.14 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 2bsr s ILE 92 CO 0.07 0.44 -0.01 -0.69 0.00 0.00 0.00 174.94 174.75 2bsr s VAL 93 N 1.27 3.49 0.41 2.92 1.01 0.02 -4.95 120.40 124.57 2bsr s VAL 93 Ca 0.03 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 2bsr s VAL 93 Cb -0.14 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 2bsr s VAL 93 CO -0.11 0.33 1.03 -0.54 0.00 0.00 0.00 175.10 175.80 2bsr s LYS 94 N 1.47 4.14 0.33 2.72 1.02 -1.26 -0.95 119.74 127.20 2bsr s LYS 94 Ca 0.05 1.43 -0.27 0.00 0.02 0.00 0.00 55.97 57.19 2bsr s LYS 94 Cb -0.15 -2.44 -0.09 0.00 -0.52 0.00 0.00 37.83 34.63 2bsr s LYS 94 CO -0.02 -0.15 1.07 -0.46 -0.92 0.00 0.00 175.35 174.87 2bsr s TRP 95 N -1.77 3.48 -0.22 3.18 -0.00 0.20 -4.90 118.94 118.92 2bsr s TRP 95 Ca 0.59 1.69 -0.03 0.00 -0.00 0.00 0.00 56.10 58.36 2bsr s TRP 95 Cb -0.19 -3.20 0.07 0.00 -0.00 0.00 0.00 33.47 30.15 2bsr s TRP 95 CO 0.24 -0.50 0.07 0.34 -0.00 0.00 0.00 176.95 177.10 2bsr s ASP 96 N -1.18 3.04 0.00 5.86 -1.08 -1.26 -4.83 116.67 117.21 2bsr s ASP 96 Ca 0.50 -0.96 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 2bsr s ASP 96 Cb -0.27 -0.52 0.00 0.00 -1.46 0.00 0.00 42.92 40.67 2bsr s ASP 96 CO 0.35 -0.35 0.64 -2.11 0.52 0.00 0.00 175.17 174.22 2bsr n ARG 97 N 5.10 0.00 -0.41 4.34 1.85 -1.26 -0.80 116.66 125.48 2bsr n ARG 97 Ca -0.07 0.19 0.08 0.00 -1.00 0.00 0.00 57.85 57.05 2bsr n ARG 97 Cb 0.46 -1.55 0.25 0.00 -1.05 0.00 0.00 32.46 30.57 2bsr n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2bsr n ASP 98 N -1.14 3.77 0.00 2.89 8.00 -1.26 -4.80 116.55 124.01 2bsr n ASP 98 Ca 0.00 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.67 2bsr n ASP 98 Cb 0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 2bsr n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04