#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsa s GLN 2 N 0.00 2.59 -0.05 9.51 -0.21 -1.26 -4.55 119.66 125.69 1hsa s GLN 2 Ca 0.00 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 54.75 1hsa s GLN 2 Cb 0.00 -2.47 0.02 0.00 1.00 0.00 0.00 33.01 31.56 1hsa s GLN 2 CO 0.00 0.64 -0.06 1.03 -2.12 0.00 0.00 175.29 174.77 1hsa s ARG 3 N -0.84 1.02 0.36 2.91 0.52 0.67 -4.91 118.95 118.68 1hsa s ARG 3 Ca 0.12 -0.18 -0.25 0.00 -0.52 0.00 0.00 55.73 54.91 1hsa s ARG 3 Cb -0.11 -0.95 -0.10 0.00 0.52 0.00 0.00 34.95 34.31 1hsa s ARG 3 CO 0.02 -0.05 0.97 -0.08 0.02 0.00 0.00 175.30 176.18 1hsa s THR 4 N 0.83 4.11 0.26 0.02 -1.32 -1.26 -1.99 115.64 116.28 1hsa s THR 4 Ca -0.12 1.65 -0.29 0.00 -1.21 0.00 0.00 61.69 61.71 1hsa s THR 4 Cb -0.15 -3.87 -0.09 0.00 -1.51 0.00 0.00 72.50 66.88 1hsa s THR 4 CO 0.01 0.04 1.24 -2.16 -2.21 0.00 0.00 174.62 171.55 1hsa s PRO 5 N -2.32 4.45 0.36 7.08 0.04 -1.26 -4.29 135.00 139.06 1hsa s PRO 5 Ca 0.54 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.35 1hsa s PRO 5 Cb -0.18 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.11 1hsa s PRO 5 CO 0.23 -0.10 1.03 0.15 0.04 0.00 0.00 177.00 178.36 1hsa s LYS 6 N -0.99 4.34 -0.05 4.56 1.02 0.23 -4.91 119.74 123.94 1hsa s LYS 6 Ca 0.51 1.52 0.00 0.00 0.02 0.00 0.00 55.97 58.02 1hsa s LYS 6 Cb -0.36 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1hsa s LYS 6 CO 0.43 0.01 -0.02 0.42 -0.92 0.00 0.00 175.35 175.28 1hsa s ILE 7 N -1.56 0.41 -0.05 2.17 1.01 -1.26 -1.95 121.20 119.97 1hsa s ILE 7 Ca 0.54 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 61.22 1hsa s ILE 7 Cb -0.23 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1hsa s ILE 7 CO 0.29 0.22 -0.16 -1.10 0.00 0.00 0.00 174.94 174.19 1hsa s GLN 8 N 1.25 1.84 -0.11 2.79 -0.21 -0.60 -4.98 119.66 119.64 1hsa s GLN 8 Ca -0.06 -0.57 0.03 0.00 0.02 0.00 0.00 55.36 54.78 1hsa s GLN 8 Cb -0.14 -1.55 0.00 0.00 1.00 0.00 0.00 33.01 32.32 1hsa s GLN 8 CO -0.02 0.18 -0.22 0.08 -2.12 0.00 0.00 175.29 173.19 1hsa s VAL 9 N 0.23 2.18 0.03 1.09 1.01 -1.26 -0.62 120.40 123.06 1hsa s VAL 9 Ca -0.08 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 1hsa s VAL 9 Cb -0.13 -1.85 0.09 0.00 0.00 0.00 0.00 36.38 34.50 1hsa s VAL 9 CO 0.03 0.55 1.04 -0.72 0.00 0.00 0.00 175.10 176.00 1hsa s TYR 10 N 0.44 -0.17 0.16 5.22 1.13 -0.60 -4.54 117.35 118.98 1hsa s TYR 10 Ca -0.16 -0.02 0.01 0.00 -1.41 0.00 0.00 57.07 55.50 1hsa s TYR 10 Cb -0.17 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 1hsa s TYR 10 CO 0.06 -0.56 0.32 -1.54 -2.51 0.00 0.00 175.55 171.32 1hsa s SER 11 N -2.73 6.36 0.16 -0.18 1.04 -1.26 -0.58 113.70 116.51 1hsa s SER 11 Ca 0.10 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.71 1hsa s SER 11 Cb 0.00 -1.96 0.02 0.00 0.10 0.00 0.00 66.02 64.18 1hsa s SER 11 CO -0.03 0.03 1.58 -0.09 0.98 0.00 0.00 173.24 175.71 1hsa h ARG 12 N 2.25 0.98 -6.55 4.02 2.43 -0.85 -3.44 114.38 113.21 1hsa h ARG 12 Ca -0.48 -0.37 -0.64 0.00 -0.81 0.00 0.00 59.98 57.68 1hsa h ARG 12 Cb 1.19 -0.06 -0.17 0.00 -0.42 0.00 0.00 29.97 30.51 1hsa h ARG 12 CO 0.70 1.04 -0.78 -1.01 -1.51 0.00 0.00 179.97 178.41 1hsa s HIS 13 N -4.84 2.48 0.24 2.20 3.76 -1.26 -5.00 115.29 112.87 1hsa s HIS 13 Ca -0.12 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.21 1hsa s HIS 13 Cb 0.12 -1.23 -0.15 0.00 1.11 0.00 0.00 32.58 32.43 1hsa s HIS 13 CO 0.85 0.49 1.06 -2.30 -0.85 0.00 0.00 174.74 174.00 1hsa n PRO 14 N 0.23 1.26 -2.22 8.40 -0.02 -1.26 -4.86 135.00 136.54 1hsa n PRO 14 Ca -0.12 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 1hsa n PRO 14 Cb 0.55 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1hsa n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hsa s ALA 15 N -0.70 3.51 -0.13 3.55 0.00 -1.26 -5.02 121.76 121.70 1hsa s ALA 15 Ca 0.64 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 53.69 1hsa s ALA 15 Cb -0.76 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 18.94 1hsa s ALA 15 CO 0.57 -0.53 0.07 -2.00 0.00 0.00 0.00 175.76 173.87 1hsa s GLU 16 N -0.60 0.11 0.29 0.00 2.12 -1.26 -5.10 118.70 114.26 1hsa s GLU 16 Ca 0.54 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.59 1hsa s GLU 16 Cb -0.37 -1.47 -0.13 0.00 0.26 0.00 0.00 34.13 32.42 1hsa s GLU 16 CO 0.42 -0.56 1.28 0.09 -0.54 0.00 0.00 175.26 175.95 1hsa n ASN 17 N 5.26 2.48 0.00 -1.70 3.02 -1.26 -0.50 115.26 122.56 1hsa n ASN 17 Ca -0.06 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 1hsa n ASN 17 Cb 0.49 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 1hsa n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hsa n GLY 18 N 1.34 2.75 3.48 7.41 0.00 0.03 -4.98 105.19 115.23 1hsa n GLY 18 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1hsa n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hsa s LYS 19 N -0.37 3.62 0.86 1.61 -0.14 0.34 -4.95 119.74 120.72 1hsa s LYS 19 Ca 0.00 -0.52 -0.12 0.00 -1.36 0.00 0.00 55.97 53.97 1hsa s LYS 19 Cb 0.00 -3.50 0.10 0.00 -1.68 0.00 0.00 37.83 32.75 1hsa s LYS 19 CO 0.00 -0.27 1.10 -1.13 -0.76 0.00 0.00 175.35 174.29 1hsa n SER 20 N 4.98 0.44 -2.05 2.83 3.41 -1.26 -4.16 113.62 117.81 1hsa n SER 20 Ca -0.15 0.50 -0.02 0.00 -0.26 0.00 0.00 58.87 58.94 1hsa n SER 20 Cb 0.51 -1.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.00 1hsa n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1hsa n ASN 21 N -3.44 -0.85 -4.21 4.04 2.85 0.16 -4.94 115.26 108.87 1hsa n ASN 21 Ca 0.12 -1.47 -0.30 0.00 -0.11 0.00 0.00 54.58 52.83 1hsa n ASN 21 Cb 0.51 1.39 -0.16 0.00 1.24 0.00 0.00 39.78 42.76 1hsa n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1hsa s PHE 22 N -4.39 2.21 -0.23 1.20 0.40 -1.26 -1.16 117.98 114.75 1hsa s PHE 22 Ca 0.10 -0.72 -0.14 0.00 -0.60 0.00 0.00 56.93 55.57 1hsa s PHE 22 Cb -0.01 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1hsa s PHE 22 CO 0.03 -0.25 0.31 -1.17 0.70 0.00 0.00 175.22 174.84 1hsa s LEU 23 N 0.06 4.12 -0.05 -0.37 2.96 0.01 -0.05 118.68 125.36 1hsa s LEU 23 Ca -0.08 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1hsa s LEU 23 Cb -0.14 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 1hsa s LEU 23 CO 0.04 -0.05 -0.11 0.20 -1.32 0.00 0.00 176.35 175.12 1hsa s ASN 24 N 1.15 4.30 -0.17 3.68 0.01 0.25 -1.73 114.94 122.43 1hsa s ASN 24 Ca 0.14 -0.13 -0.00 0.00 -0.71 0.00 0.00 52.86 52.16 1hsa s ASN 24 Cb -0.15 -0.98 0.04 0.00 0.41 0.00 0.00 41.25 40.57 1hsa s ASN 24 CO 0.07 0.35 -0.08 0.00 -1.51 0.00 0.00 177.10 175.93 1hsa s TYR 26 N 1.56 3.08 -0.11 0.00 5.04 0.21 -1.22 117.35 125.90 1hsa s TYR 26 Ca 0.01 -0.67 -0.00 0.00 -2.44 0.00 0.00 57.07 53.97 1hsa s TYR 26 Cb -0.15 -2.22 -0.02 0.00 0.35 0.00 0.00 41.96 39.91 1hsa s TYR 26 CO -0.08 -0.45 -0.09 0.14 -1.34 0.00 0.00 175.55 173.72 1hsa s VAL 27 N 1.56 3.42 0.23 3.14 -7.23 -0.35 -1.55 120.40 119.61 1hsa s VAL 27 Ca 0.05 -0.55 -0.12 0.00 -1.81 0.00 0.00 61.98 59.55 1hsa s VAL 27 Cb -0.16 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 1hsa s VAL 27 CO 0.02 0.54 0.43 -0.94 -0.31 0.00 0.00 175.10 174.84 1hsa s SER 28 N -0.03 -0.07 -0.55 4.85 1.04 -0.82 -0.65 113.70 117.47 1hsa s SER 28 Ca -0.01 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1hsa s SER 28 Cb -0.14 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1hsa s SER 28 CO 0.03 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1hsa n GLY 29 N -0.34 0.75 3.68 7.32 0.00 0.12 -0.60 105.19 116.13 1hsa n GLY 29 Ca -0.03 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 1hsa n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hsa s PHE 30 N -2.20 2.85 -0.28 1.61 -0.12 -1.14 -4.36 117.98 114.34 1hsa s PHE 30 Ca 0.00 -0.15 -0.16 0.00 -0.05 0.00 0.00 56.93 56.57 1hsa s PHE 30 Cb 0.00 -1.34 0.09 0.00 -0.63 0.00 0.00 43.02 41.14 1hsa s PHE 30 CO 0.00 0.54 0.71 -1.58 -0.05 0.00 0.00 175.22 174.85 1hsa s HIS 31 N -1.92 -1.04 1.14 3.49 2.46 -0.84 -0.57 115.29 118.00 1hsa s HIS 31 Ca 0.29 2.06 -0.17 0.00 0.47 0.00 0.00 55.06 57.71 1hsa s HIS 31 Cb -0.08 0.62 0.26 0.00 -0.13 0.00 0.00 32.58 33.24 1hsa s HIS 31 CO 0.20 -0.51 1.12 -1.25 -2.47 0.00 0.00 174.74 171.83 1hsa s PRO 32 N 1.66 -0.69 0.42 2.88 0.04 -1.26 -0.24 135.00 137.81 1hsa s PRO 32 Ca -0.10 0.03 0.22 0.00 0.04 0.00 0.00 61.00 61.19 1hsa s PRO 32 Cb -0.05 -1.65 0.86 0.00 0.04 0.00 0.00 34.50 33.70 1hsa s PRO 32 CO -0.20 -3.38 1.81 0.66 0.04 0.00 0.00 177.00 175.93 1hsa h SER 33 N -2.34 0.00 -2.56 6.66 4.64 -1.99 -3.45 113.55 114.51 1hsa h SER 33 Ca -0.47 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.32 1hsa h SER 33 Cb 1.30 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.41 1hsa h SER 33 CO 0.40 0.28 1.09 -0.62 -0.87 0.00 0.00 176.83 177.12 1hsa s ASP 34 N -6.32 6.52 -0.02 4.97 -1.08 -1.26 -4.95 116.67 114.53 1hsa s ASP 34 Ca -0.00 2.59 -0.28 0.00 -0.52 0.00 0.00 52.55 54.34 1hsa s ASP 34 Cb 0.11 -2.55 0.06 0.00 -1.46 0.00 0.00 42.92 39.08 1hsa s ASP 34 CO 0.66 -0.97 0.63 -0.51 0.52 0.00 0.00 175.17 175.50 1hsa s ILE 35 N 3.20 0.01 -0.09 4.11 2.07 -1.26 -4.62 121.20 124.61 1hsa s ILE 35 Ca 0.79 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 60.01 1hsa s ILE 35 Cb -0.42 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.21 1hsa s ILE 35 CO 0.35 -0.03 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.43 1hsa s GLU 36 N -1.56 2.78 -0.05 3.50 2.12 -0.45 -4.99 118.70 120.06 1hsa s GLU 36 Ca -0.10 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.47 1hsa s GLU 36 Cb -0.01 -2.12 0.02 0.00 0.26 0.00 0.00 34.13 32.28 1hsa s GLU 36 CO 0.06 0.15 -0.08 0.08 -0.54 0.00 0.00 175.26 174.93 1hsa s VAL 37 N 0.40 0.78 0.02 3.70 1.01 -1.26 -0.50 120.40 124.56 1hsa s VAL 37 Ca -0.18 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1hsa s VAL 37 Cb -0.18 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1hsa s VAL 37 CO 0.08 0.27 -0.15 -1.81 0.00 0.00 0.00 175.10 173.50 1hsa s ASP 38 N 0.72 1.72 -0.16 3.32 1.01 0.89 -4.99 116.67 119.18 1hsa s ASP 38 Ca -0.12 -0.38 -0.06 0.00 0.71 0.00 0.00 52.55 52.70 1hsa s ASP 38 Cb -0.14 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 1hsa s ASP 38 CO 0.02 0.10 0.05 -0.76 0.21 0.00 0.00 175.17 174.79 1hsa s LEU 39 N -0.80 3.80 -0.06 1.23 1.43 -1.26 -0.01 118.68 123.01 1hsa s LEU 39 Ca 0.04 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1hsa s LEU 39 Cb -0.07 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1hsa s LEU 39 CO 0.01 0.22 -0.18 -0.76 0.23 0.00 0.00 176.35 175.87 1hsa s LEU 40 N 0.08 2.48 -0.30 1.79 1.43 0.78 -0.32 118.68 124.61 1hsa s LEU 40 Ca 0.05 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1hsa s LEU 40 Cb -0.12 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.66 1hsa s LEU 40 CO 0.01 0.28 0.00 -0.75 0.23 0.00 0.00 176.35 176.12 1hsa s LYS 41 N -0.37 2.37 -1.35 1.70 2.20 0.99 -1.02 119.74 124.27 1hsa s LYS 41 Ca 0.03 -1.32 -0.08 0.00 -0.36 0.00 0.00 55.97 54.25 1hsa s LYS 41 Cb -0.12 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1hsa s LYS 41 CO 0.02 -0.65 1.14 0.09 -0.36 0.00 0.00 175.35 175.59 1hsa n ASN 42 N 4.60 -5.51 0.00 1.43 3.02 -0.36 -1.45 115.26 116.99 1hsa n ASN 42 Ca -0.12 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1hsa n ASN 42 Cb 0.43 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 1hsa n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hsa n GLY 43 N -1.85 2.83 3.80 7.41 0.00 -1.26 -5.00 105.19 111.13 1hsa n GLY 43 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1hsa n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hsa s GLU 44 N -0.26 3.91 0.08 1.61 2.02 -0.53 -5.00 118.70 120.53 1hsa s GLU 44 Ca 0.00 0.06 -0.31 0.00 0.02 0.00 0.00 54.97 54.75 1hsa s GLU 44 Cb 0.00 -3.30 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 1hsa s GLU 44 CO 0.00 0.52 1.58 0.50 0.02 0.00 0.00 175.26 177.89 1hsa s ARG 45 N -0.38 4.22 0.41 1.61 3.52 -1.26 -0.01 118.95 127.06 1hsa s ARG 45 Ca 0.17 2.26 -0.22 0.00 -0.13 0.00 0.00 55.73 57.81 1hsa s ARG 45 Cb -0.13 -3.50 -0.11 0.00 -1.56 0.00 0.00 34.95 29.65 1hsa s ARG 45 CO 0.06 -0.67 0.95 0.42 -0.81 0.00 0.00 175.30 175.25 1hsa s ILE 46 N 2.26 4.31 -0.26 4.11 1.01 0.56 -4.87 121.20 128.33 1hsa s ILE 46 Ca 0.71 1.54 -0.05 0.00 0.00 0.00 0.00 60.65 62.85 1hsa s ILE 46 Cb -0.39 -3.68 -0.16 0.00 0.01 0.00 0.00 42.46 38.24 1hsa s ILE 46 CO 0.31 -0.21 -0.22 -0.62 0.00 0.00 0.00 174.94 174.20 1hsa n GLU 47 N -0.38 0.63 -2.31 2.79 -0.58 -1.26 -4.67 120.64 114.86 1hsa n GLU 47 Ca 0.06 0.21 -0.43 0.00 -0.42 0.00 0.00 57.16 56.58 1hsa n GLU 47 Cb 0.53 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1hsa n GLU 47 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1hsa n LYS 48 N -3.67 3.23 -5.07 3.49 4.76 -1.26 -4.94 118.16 114.70 1hsa n LYS 48 Ca -0.48 -3.23 -0.32 0.00 -2.87 0.00 0.00 58.31 51.41 1hsa n LYS 48 Cb 0.95 -3.19 -0.15 0.00 -1.84 0.00 0.00 35.03 30.79 1hsa n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1hsa s VAL 49 N 2.38 2.49 0.19 -0.18 1.01 -1.26 -4.68 120.40 120.34 1hsa s VAL 49 Ca 0.46 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1hsa s VAL 49 Cb 0.08 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1hsa s VAL 49 CO -0.01 0.56 0.31 -1.61 0.00 0.00 0.00 175.10 174.35 1hsa s GLU 50 N -0.05 3.41 0.07 2.72 2.02 -0.13 -4.93 118.70 121.81 1hsa s GLU 50 Ca -0.05 -0.68 -0.05 0.00 0.02 0.00 0.00 54.97 54.20 1hsa s GLU 50 Cb -0.14 -2.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 1hsa s GLU 50 CO 0.04 0.48 0.09 -3.38 0.02 0.00 0.00 175.26 172.52 1hsa s HIS 51 N -1.85 0.32 0.69 1.61 -3.43 -1.26 -0.61 115.29 110.76 1hsa s HIS 51 Ca 0.34 -0.80 -0.10 0.00 -0.80 0.00 0.00 55.06 53.70 1hsa s HIS 51 Cb -0.10 -0.21 0.16 0.00 -1.43 0.00 0.00 32.58 31.00 1hsa s HIS 51 CO 0.28 -0.47 0.94 -1.13 -2.00 0.00 0.00 174.74 172.37 1hsa n SER 52 N 0.02 0.26 -4.86 7.38 3.41 0.43 -4.98 113.62 115.28 1hsa n SER 52 Ca -0.15 -1.45 -0.35 0.00 -0.26 0.00 0.00 58.87 56.66 1hsa n SER 52 Cb 0.62 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1hsa n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1hsa s ASP 53 N -4.51 6.65 0.13 4.04 1.01 -1.26 -4.85 116.67 117.89 1hsa s ASP 53 Ca 0.55 0.79 -0.32 0.00 0.71 0.00 0.00 52.55 54.27 1hsa s ASP 53 Cb -0.02 -2.18 -0.12 0.00 1.01 0.00 0.00 42.92 41.62 1hsa s ASP 53 CO 0.38 0.21 1.76 -0.11 0.21 0.00 0.00 175.17 177.63 1hsa n LEU 54 N 1.10 3.78 0.00 1.23 7.94 -1.26 -4.93 117.00 124.87 1hsa n LEU 54 Ca -0.10 1.02 -0.19 0.00 -1.11 0.00 0.00 56.01 55.64 1hsa n LEU 54 Cb 0.52 -1.51 -0.07 0.00 0.53 0.00 0.00 43.42 42.90 1hsa n LEU 54 CO 0.41 0.06 -0.10 -0.24 -1.11 0.00 0.00 177.39 176.41 1hsa n SER 55 N 4.90 -0.06 -3.57 1.96 2.88 -1.24 -5.05 113.62 113.44 1hsa n SER 55 Ca 0.18 -2.92 -0.11 0.00 -1.33 0.00 0.00 58.87 54.69 1hsa n SER 55 Cb 0.34 1.30 -0.04 0.00 -0.75 0.00 0.00 64.21 65.06 1hsa n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1hsa s PHE 56 N -3.10 -0.30 0.78 0.66 -0.12 -1.26 -2.05 117.98 112.58 1hsa s PHE 56 Ca 0.30 0.01 -0.08 0.00 -0.05 0.00 0.00 56.93 57.11 1hsa s PHE 56 Cb 0.01 0.35 0.17 0.00 -0.63 0.00 0.00 43.02 42.92 1hsa s PHE 56 CO 0.21 -0.75 1.06 0.43 -0.05 0.00 0.00 175.22 176.12 1hsa n SER 57 N -0.27 0.60 -0.19 1.98 7.64 -0.12 -4.92 113.62 118.33 1hsa n SER 57 Ca -0.16 -1.70 0.07 0.00 1.01 0.00 0.00 58.87 58.09 1hsa n SER 57 Cb 0.64 -0.76 0.36 0.00 -1.01 0.00 0.00 64.21 63.44 1hsa n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1hsa h LYS 58 N 0.00 0.71 -0.47 1.43 1.57 -2.03 -0.91 116.57 116.88 1hsa h LYS 58 Ca -0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1hsa h LYS 58 Cb 1.08 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1hsa h LYS 58 CO 0.29 0.47 0.00 -0.40 -0.57 0.00 0.00 179.45 179.25 1hsa n ASP 59 N -4.49 1.95 0.00 0.86 5.75 -1.26 -4.90 116.55 114.46 1hsa n ASP 59 Ca 0.12 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1hsa n ASP 59 Cb 0.27 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1hsa n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1hsa n TRP 60 N 0.30 0.00 -2.58 2.11 7.02 -0.35 -5.01 117.44 118.93 1hsa n TRP 60 Ca 0.10 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.22 1hsa n TRP 60 Cb 0.36 -0.69 -0.04 0.00 -2.42 0.00 0.00 31.31 28.52 1hsa n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1hsa s SER 61 N -2.43 6.69 0.50 -0.99 1.04 -1.26 -4.67 113.70 112.58 1hsa s SER 61 Ca 0.00 1.97 -0.07 0.00 0.48 0.00 0.00 55.95 58.33 1hsa s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1hsa s SER 61 CO 0.00 -0.54 0.83 -0.36 0.98 0.00 0.00 173.24 174.15 1hsa s PHE 62 N -1.79 3.56 -0.01 5.02 0.08 0.26 -0.94 117.98 124.16 1hsa s PHE 62 Ca 0.60 0.94 -0.03 0.00 0.12 0.00 0.00 56.93 58.56 1hsa s PHE 62 Cb -0.19 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1hsa s PHE 62 CO 0.24 -0.33 0.07 1.52 -0.10 0.00 0.00 175.22 176.62 1hsa s TYR 63 N -2.77 0.01 -0.02 0.36 -0.85 -0.87 -0.70 117.35 112.52 1hsa s TYR 63 Ca 0.49 -0.00 -0.04 0.00 -0.52 0.00 0.00 57.07 57.00 1hsa s TYR 63 Cb -0.10 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.21 1hsa s TYR 63 CO 0.44 -0.13 0.09 -0.51 -1.52 0.00 0.00 175.55 173.93 1hsa s LEU 64 N -0.56 1.69 -0.17 -3.49 1.43 0.18 -3.64 118.68 114.12 1hsa s LEU 64 Ca -0.06 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1hsa s LEU 64 Cb -0.04 0.42 -0.02 0.00 0.03 0.00 0.00 46.19 46.58 1hsa s LEU 64 CO 0.00 -0.19 -0.06 -0.22 0.23 0.00 0.00 176.35 176.11 1hsa s LEU 65 N -0.65 2.99 0.04 1.79 2.96 -1.26 -1.21 118.68 123.33 1hsa s LEU 65 Ca -0.07 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1hsa s LEU 65 Cb -0.04 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1hsa s LEU 65 CO 0.00 0.10 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.70 1hsa s TYR 66 N 0.74 2.71 0.11 5.38 1.51 -0.36 -0.42 117.35 127.02 1hsa s TYR 66 Ca -0.03 -0.16 -0.25 0.00 -1.01 0.00 0.00 57.07 55.62 1hsa s TYR 66 Cb -0.15 -1.51 0.08 0.00 -0.11 0.00 0.00 41.96 40.27 1hsa s TYR 66 CO 0.02 0.33 0.69 1.52 -1.11 0.00 0.00 175.55 177.00 1hsa s TYR 67 N -1.01 -0.48 0.10 2.71 1.13 0.22 -0.62 117.35 119.39 1hsa s TYR 67 Ca 0.17 0.30 -0.15 0.00 -1.41 0.00 0.00 57.07 55.98 1hsa s TYR 67 Cb -0.11 0.55 0.03 0.00 -1.10 0.00 0.00 41.96 41.33 1hsa s TYR 67 CO 0.08 -0.75 0.36 -0.08 -2.51 0.00 0.00 175.55 172.65 1hsa s THR 68 N -3.52 0.08 0.00 -3.49 -1.32 -0.71 -0.96 115.64 105.72 1hsa s THR 68 Ca 0.02 -0.65 -0.23 0.00 -1.21 0.00 0.00 61.69 59.62 1hsa s THR 68 Cb -0.01 -1.13 -0.05 0.00 -1.51 0.00 0.00 72.50 69.79 1hsa s THR 68 CO -0.11 -0.36 0.69 -0.70 -2.21 0.00 0.00 174.62 171.92 1hsa s GLU 69 N -3.48 4.42 0.14 7.08 2.12 -1.26 -0.81 118.70 126.90 1hsa s GLU 69 Ca 0.01 0.90 -0.03 0.00 0.36 0.00 0.00 54.97 56.21 1hsa s GLU 69 Cb 0.02 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1hsa s GLU 69 CO -0.09 0.27 0.11 -0.59 -0.54 0.00 0.00 175.26 174.42 1hsa s PHE 70 N 0.06 0.73 -0.28 5.30 -0.71 -0.31 -4.88 117.98 117.89 1hsa s PHE 70 Ca 0.35 -1.11 0.03 0.00 -1.04 0.00 0.00 56.93 55.16 1hsa s PHE 70 Cb -0.19 -0.37 0.07 0.00 -1.21 0.00 0.00 43.02 41.32 1hsa s PHE 70 CO 0.20 -0.57 -0.06 0.99 -1.34 0.00 0.00 175.22 174.44 1hsa s THR 71 N -4.02 2.27 0.39 -4.49 2.01 -1.26 0.35 115.64 110.89 1hsa s THR 71 Ca 0.22 -1.79 -0.27 0.00 0.31 0.00 0.00 61.69 60.16 1hsa s THR 71 Cb 0.06 -2.42 -0.11 0.00 0.01 0.00 0.00 72.50 70.05 1hsa s THR 71 CO 0.01 -0.18 1.34 -0.81 -0.69 0.00 0.00 174.62 174.29 1hsa n PRO 72 N 4.41 2.18 -4.33 4.92 -0.04 -1.26 -4.76 135.00 136.13 1hsa n PRO 72 Ca -0.10 0.77 -0.17 0.00 -0.04 0.00 0.00 63.50 63.97 1hsa n PRO 72 Cb 0.42 -2.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.33 1hsa n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1hsa s THR 73 N -1.15 0.65 0.22 0.52 -4.23 -1.26 -0.79 115.64 109.60 1hsa s THR 73 Ca 0.58 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1hsa s THR 73 Cb -0.51 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 1hsa s THR 73 CO 0.60 -0.05 1.58 -0.08 -0.54 0.00 0.00 174.62 176.14 1hsa h GLU 74 N 2.39 0.53 0.03 3.99 4.81 -1.97 -3.36 114.58 121.00 1hsa h GLU 74 Ca -0.38 -0.28 -0.15 0.00 -0.13 0.00 0.00 59.36 58.41 1hsa h GLU 74 Cb 1.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1hsa h GLU 74 CO 0.62 0.87 -0.80 1.57 -0.73 0.00 0.00 179.01 180.53 1hsa h LYS 75 N 0.43 0.07 -6.86 1.92 2.10 -2.01 -3.47 116.57 108.76 1hsa h LYS 75 Ca 0.03 -0.13 -0.52 0.00 -2.00 0.00 0.00 60.65 58.03 1hsa h LYS 75 Cb 0.93 0.05 0.07 0.00 -0.90 0.00 0.00 32.23 32.38 1hsa h LYS 75 CO 0.08 1.06 0.67 -0.51 -2.00 0.00 0.00 179.45 178.75 1hsa s ASP 76 N -6.67 6.73 -0.04 7.07 1.01 -1.26 -5.01 116.67 118.50 1hsa s ASP 76 Ca -0.22 2.70 -0.07 0.00 0.71 0.00 0.00 52.55 55.67 1hsa s ASP 76 Cb 0.02 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1hsa s ASP 76 CO 0.68 -0.58 0.23 -1.61 0.21 0.00 0.00 175.17 174.10 1hsa s GLU 77 N -1.56 3.56 0.04 8.23 2.02 -1.26 -4.76 118.70 124.97 1hsa s GLU 77 Ca 0.51 -0.06 0.04 0.00 0.02 0.00 0.00 54.97 55.48 1hsa s GLU 77 Cb -0.40 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 1hsa s GLU 77 CO 0.52 0.70 -0.12 0.71 0.02 0.00 0.00 175.26 177.09 1hsa s TYR 78 N -1.18 1.05 0.30 1.61 2.02 -1.26 -1.22 117.35 118.67 1hsa s TYR 78 Ca 0.23 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.37 1hsa s TYR 78 Cb -0.13 -0.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.83 1hsa s TYR 78 CO 0.12 0.01 0.68 0.00 -1.57 0.00 0.00 175.55 174.79 1hsa s ALA 79 N -1.01 -0.83 -0.15 3.71 0.00 -0.19 0.08 121.76 123.37 1hsa s ALA 79 Ca -0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 1hsa s ALA 79 Cb -0.08 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1hsa s ALA 79 CO 0.01 -0.98 -0.09 0.00 0.00 0.00 0.00 175.76 174.70 1hsa s ARG 81 N 1.57 4.05 -0.10 0.00 3.52 0.98 -0.32 118.95 128.66 1hsa s ARG 81 Ca 0.03 -0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.37 1hsa s ARG 81 Cb -0.14 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.75 1hsa s ARG 81 CO -0.09 0.07 -0.17 0.08 -0.81 0.00 0.00 175.30 174.38 1hsa s VAL 82 N 1.03 1.60 0.02 7.11 1.01 0.30 -0.08 120.40 131.38 1hsa s VAL 82 Ca 0.07 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1hsa s VAL 82 Cb -0.13 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1hsa s VAL 82 CO 0.04 0.46 -0.25 0.21 0.00 0.00 0.00 175.10 175.56 1hsa s ASN 83 N 0.70 3.19 0.05 3.32 3.04 0.35 -0.88 114.94 124.71 1hsa s ASN 83 Ca -0.12 -0.52 -0.17 0.00 0.04 0.00 0.00 52.86 52.09 1hsa s ASN 83 Cb -0.16 -0.35 0.03 0.00 -1.54 0.00 0.00 41.25 39.24 1hsa s ASN 83 CO 0.03 0.29 0.38 -2.28 -3.04 0.00 0.00 177.10 172.48 1hsa s HIS 84 N -0.74 -0.22 0.54 0.43 5.65 -1.26 -1.34 115.29 118.35 1hsa s HIS 84 Ca 0.11 0.12 0.31 0.00 0.25 0.00 0.00 55.06 55.85 1hsa s HIS 84 Cb -0.10 0.19 1.47 0.00 -1.18 0.00 0.00 32.58 32.96 1hsa s HIS 84 CO 0.01 -0.57 1.90 -0.24 -0.65 0.00 0.00 174.74 175.20 1hsa h VAL 85 N 3.00 0.58 0.00 0.89 3.04 -1.95 0.71 116.25 122.52 1hsa h VAL 85 Ca -0.32 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1hsa h VAL 85 Cb 1.21 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1hsa h VAL 85 CO 0.45 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.36 1hsa n THR 86 N -4.28 0.00 -4.01 3.17 -2.24 -1.26 -4.69 114.28 100.97 1hsa n THR 86 Ca 0.17 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.67 1hsa n THR 86 Cb 0.92 -0.21 -0.17 0.00 -2.10 0.00 0.00 70.33 68.77 1hsa n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1hsa s LEU 87 N -1.29 1.45 0.50 3.22 1.43 0.25 -4.96 118.68 119.27 1hsa s LEU 87 Ca 0.12 -0.39 0.28 0.00 -1.03 0.00 0.00 54.13 53.12 1hsa s LEU 87 Cb 0.06 -1.00 1.19 0.00 0.03 0.00 0.00 46.19 46.47 1hsa s LEU 87 CO 0.09 -0.08 1.93 0.77 0.23 0.00 0.00 176.35 179.30 1hsa h SER 88 N 8.04 0.00 -5.02 2.29 4.64 -1.83 -3.42 113.55 118.25 1hsa h SER 88 Ca -0.34 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.83 1hsa h SER 88 Cb 1.14 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.03 1hsa h SER 88 CO 0.47 0.13 -0.61 0.00 -0.87 0.00 0.00 176.83 175.95 1hsa s GLN 89 N -3.76 0.43 0.30 4.77 -2.07 -1.26 -5.13 119.66 112.93 1hsa s GLN 89 Ca -0.00 -0.61 -0.30 0.00 -1.82 0.00 0.00 55.36 52.63 1hsa s GLN 89 Cb 0.10 0.16 -0.12 0.00 -1.09 0.00 0.00 33.01 32.07 1hsa s GLN 89 CO 0.59 -0.09 1.61 -2.30 -1.32 0.00 0.00 175.29 173.78 1hsa n PRO 90 N 1.32 2.74 -3.38 9.60 -0.02 -1.26 -4.89 135.00 139.10 1hsa n PRO 90 Ca -0.22 0.97 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 1hsa n PRO 90 Cb 0.56 -2.76 -0.07 0.00 -0.02 0.00 0.00 33.50 31.20 1hsa n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hsa s LYS 91 N -0.55 4.20 -0.22 -0.52 2.20 -0.06 -4.85 119.74 119.94 1hsa s LYS 91 Ca 0.63 0.24 -0.03 0.00 -0.36 0.00 0.00 55.97 56.45 1hsa s LYS 91 Cb -0.49 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.31 1hsa s LYS 91 CO 0.49 0.00 -0.05 0.42 -0.36 0.00 0.00 175.35 175.85 1hsa s ILE 92 N 1.17 3.28 -0.25 5.43 1.01 -1.26 -0.54 121.20 130.04 1hsa s ILE 92 Ca 0.20 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1hsa s ILE 92 Cb -0.15 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1hsa s ILE 92 CO 0.08 0.43 0.03 -0.69 0.00 0.00 0.00 174.94 174.79 1hsa s VAL 93 N 1.46 3.83 0.25 2.92 1.01 0.56 -4.95 120.40 125.48 1hsa s VAL 93 Ca 0.06 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1hsa s VAL 93 Cb -0.14 -2.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 1hsa s VAL 93 CO -0.04 0.28 1.07 -0.54 0.00 0.00 0.00 175.10 175.86 1hsa s LYS 94 N 1.52 4.67 0.12 2.72 1.02 -1.26 -0.77 119.74 127.76 1hsa s LYS 94 Ca 0.05 1.72 -0.31 0.00 0.02 0.00 0.00 55.97 57.45 1hsa s LYS 94 Cb -0.16 -3.23 -0.09 0.00 -0.52 0.00 0.00 37.83 33.84 1hsa s LYS 94 CO 0.01 0.24 1.55 -0.46 -0.92 0.00 0.00 175.35 175.77 1hsa s TRP 95 N -0.96 2.92 -0.18 3.18 -0.00 0.11 -4.92 118.94 119.09 1hsa s TRP 95 Ca 0.45 0.62 0.00 0.00 -0.00 0.00 0.00 56.10 57.17 1hsa s TRP 95 Cb -0.30 -3.87 0.01 0.00 -0.00 0.00 0.00 33.47 29.31 1hsa s TRP 95 CO 0.38 -3.28 -0.17 0.34 -0.00 0.00 0.00 176.95 174.22 1hsa s ASP 96 N 1.51 3.41 0.33 5.86 -1.08 -1.26 -4.74 116.67 120.70 1hsa s ASP 96 Ca 0.70 -0.58 0.24 0.00 -0.52 0.00 0.00 52.55 52.39 1hsa s ASP 96 Cb -0.41 -1.54 1.17 0.00 -1.46 0.00 0.00 42.92 40.69 1hsa s ASP 96 CO 0.31 0.01 1.74 0.08 0.52 0.00 0.00 175.17 177.83 1hsa h ARG 97 N 7.84 0.00 -0.53 4.34 0.11 -1.95 -0.83 114.38 123.36 1hsa h ARG 97 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1hsa h ARG 97 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1hsa h ARG 97 CO 0.62 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.44 1hsa n ASP 98 N -2.34 2.82 0.00 0.08 8.00 -1.26 -4.77 116.55 119.08 1hsa n ASP 98 Ca 0.00 -2.15 0.00 0.00 0.71 0.00 0.00 54.79 53.35 1hsa n ASP 98 Cb 0.14 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1hsa n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04