#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyo s ILE 1 N 0.00 2.07 -0.01 1.12 -1.09 -1.26 -5.13 121.20 116.90 3kyo s ILE 1 Ca 0.00 -1.00 0.03 0.00 -2.23 0.00 0.00 60.65 57.45 3kyo s ILE 1 Cb 0.00 -1.80 -0.03 0.00 -1.58 0.00 0.00 42.46 39.05 3kyo s ILE 1 CO 0.00 0.56 -0.07 -1.10 -1.23 0.00 0.00 174.94 173.10 3kyo s GLN 2 N 0.53 2.58 -0.05 2.79 -0.21 -1.26 -4.69 119.66 119.35 3kyo s GLN 2 Ca -0.14 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.55 3kyo s GLN 2 Cb -0.17 -2.51 0.02 0.00 1.00 0.00 0.00 33.01 31.34 3kyo s GLN 2 CO 0.05 0.61 -0.07 1.03 -2.12 0.00 0.00 175.29 174.78 3kyo s ARG 3 N -1.34 1.11 0.42 2.91 0.52 0.60 -4.93 118.95 118.23 3kyo s ARG 3 Ca 0.16 -0.23 -0.20 0.00 -0.52 0.00 0.00 55.73 54.95 3kyo s ARG 3 Cb -0.11 -1.01 -0.11 0.00 0.52 0.00 0.00 34.95 34.24 3kyo s ARG 3 CO 0.07 -0.02 0.92 -0.08 0.02 0.00 0.00 175.30 176.21 3kyo s THR 4 N 0.72 4.43 0.25 0.02 -1.32 -1.26 -1.02 115.64 117.45 3kyo s THR 4 Ca -0.12 1.42 -0.30 0.00 -1.21 0.00 0.00 61.69 61.48 3kyo s THR 4 Cb -0.14 -3.60 -0.09 0.00 -1.51 0.00 0.00 72.50 67.15 3kyo s THR 4 CO 0.01 -0.30 1.31 -2.16 -2.21 0.00 0.00 174.62 171.27 3kyo s PRO 5 N -3.15 4.39 0.32 7.08 0.04 -1.26 -4.37 135.00 138.05 3kyo s PRO 5 Ca 0.61 2.11 -0.21 0.00 0.04 0.00 0.00 61.00 63.54 3kyo s PRO 5 Cb -0.09 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 3kyo s PRO 5 CO 0.14 -0.21 0.86 0.15 0.04 0.00 0.00 177.00 177.97 3kyo s LYS 6 N -0.76 4.33 -0.06 4.56 1.02 0.40 -4.91 119.74 124.32 3kyo s LYS 6 Ca 0.54 1.06 -0.02 0.00 0.02 0.00 0.00 55.97 57.56 3kyo s LYS 6 Cb -0.38 -2.62 0.04 0.00 -0.52 0.00 0.00 37.83 34.35 3kyo s LYS 6 CO 0.43 0.22 0.12 0.42 -0.92 0.00 0.00 175.35 175.62 3kyo s ILE 7 N -1.78 -0.11 -0.05 2.17 1.01 -1.26 -1.51 121.20 119.67 3kyo s ILE 7 Ca 0.52 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.47 3kyo s ILE 7 Cb -0.15 -0.22 -0.00 0.00 0.01 0.00 0.00 42.46 42.10 3kyo s ILE 7 CO 0.20 0.11 -0.18 -1.10 0.00 0.00 0.00 174.94 173.96 3kyo s GLN 8 N 1.56 1.89 -0.12 2.79 -0.21 -0.64 -4.98 119.66 119.95 3kyo s GLN 8 Ca -0.05 -0.64 0.03 0.00 0.02 0.00 0.00 55.36 54.72 3kyo s GLN 8 Cb -0.12 -1.63 -0.00 0.00 1.00 0.00 0.00 33.01 32.26 3kyo s GLN 8 CO -0.05 0.25 -0.21 0.08 -2.12 0.00 0.00 175.29 173.25 3kyo s VAL 9 N 0.03 2.30 0.05 1.09 1.01 -1.26 -0.75 120.40 122.87 3kyo s VAL 9 Ca -0.04 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 3kyo s VAL 9 Cb -0.12 -1.91 0.09 0.00 0.00 0.00 0.00 36.38 34.44 3kyo s VAL 9 CO 0.03 0.55 0.93 -0.72 0.00 0.00 0.00 175.10 175.88 3kyo s TYR 10 N 0.50 -0.26 0.07 5.22 1.13 -0.59 -4.49 117.35 118.93 3kyo s TYR 10 Ca -0.14 0.07 0.01 0.00 -1.41 0.00 0.00 57.07 55.61 3kyo s TYR 10 Cb -0.17 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 3kyo s TYR 10 CO 0.05 -0.63 0.18 -1.54 -2.51 0.00 0.00 175.55 171.11 3kyo s SER 11 N -2.65 6.14 0.15 -0.18 1.04 -1.26 0.16 113.70 117.09 3kyo s SER 11 Ca 0.08 0.19 -0.17 0.00 0.48 0.00 0.00 55.95 56.52 3kyo s SER 11 Cb -0.01 -1.83 0.01 0.00 0.10 0.00 0.00 66.02 64.29 3kyo s SER 11 CO -0.05 0.16 1.78 -0.09 0.98 0.00 0.00 173.24 176.02 3kyo h ARG 12 N 3.04 0.34 -6.26 4.02 2.43 -1.45 -3.44 114.38 113.06 3kyo h ARG 12 Ca -0.46 -0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.11 3kyo h ARG 12 Cb 1.16 -0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 30.52 3kyo h ARG 12 CO 0.73 0.23 -0.70 -1.01 -1.51 0.00 0.00 179.97 177.71 3kyo s HIS 13 N -6.16 2.55 0.23 2.20 3.76 -1.26 -5.06 115.29 111.55 3kyo s HIS 13 Ca -0.13 -0.26 -0.31 0.00 -0.15 0.00 0.00 55.06 54.21 3kyo s HIS 13 Cb 0.11 -1.15 -0.14 0.00 1.11 0.00 0.00 32.58 32.51 3kyo s HIS 13 CO 0.71 0.63 1.22 -2.30 -0.85 0.00 0.00 174.74 174.15 3kyo n PRO 14 N -0.63 1.53 -2.84 8.40 -0.02 -1.26 -4.86 135.00 135.32 3kyo n PRO 14 Ca -0.07 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.55 3kyo n PRO 14 Cb 0.59 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 3kyo n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kyo s ALA 15 N -0.37 3.32 -0.01 3.55 0.00 -1.26 -5.02 121.76 121.98 3kyo s ALA 15 Ca 0.68 0.48 0.01 0.00 0.00 0.00 0.00 51.96 53.12 3kyo s ALA 15 Cb -0.74 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.24 3kyo s ALA 15 CO 0.53 0.09 -0.02 -1.83 0.00 0.00 0.00 175.76 174.53 3kyo s GLU 16 N -0.41 0.27 0.22 0.00 -1.05 -1.26 -5.11 118.70 111.36 3kyo s GLU 16 Ca 0.42 -0.06 -0.32 0.00 -0.15 0.00 0.00 54.97 54.86 3kyo s GLU 16 Cb -0.23 -0.31 -0.12 0.00 -0.44 0.00 0.00 34.13 33.03 3kyo s GLU 16 CO 0.28 0.01 1.66 0.09 0.95 0.00 0.00 175.26 178.25 3kyo n ASN 17 N 3.30 3.78 0.00 0.83 3.02 -1.26 -1.98 115.26 122.95 3kyo n ASN 17 Ca -0.16 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 3kyo n ASN 17 Cb 0.57 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 3kyo n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kyo n GLY 18 N 3.36 1.06 3.56 7.41 0.00 -0.35 -5.00 105.19 115.24 3kyo n GLY 18 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3kyo n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyo s LYS 19 N -0.63 3.41 0.61 1.61 -0.14 -0.84 -4.98 119.74 118.80 3kyo s LYS 19 Ca 0.00 -0.49 -0.18 0.00 -1.36 0.00 0.00 55.97 53.94 3kyo s LYS 19 Cb 0.00 -2.86 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 3kyo s LYS 19 CO 0.00 0.41 1.23 0.45 -0.76 0.00 0.00 175.35 176.67 3kyo s SER 20 N -0.08 5.00 0.12 2.83 0.15 -1.26 -4.23 113.70 116.22 3kyo s SER 20 Ca 0.03 2.44 -0.06 0.00 0.70 0.00 0.00 55.95 59.05 3kyo s SER 20 Cb -0.13 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 3kyo s SER 20 CO 0.02 -1.72 0.33 -3.20 1.20 0.00 0.00 173.24 169.87 3kyo n ASN 21 N -1.73 -0.78 -4.06 5.45 2.85 0.90 -4.97 115.26 112.93 3kyo n ASN 21 Ca 0.14 -1.50 -0.22 0.00 -0.11 0.00 0.00 54.58 52.89 3kyo n ASN 21 Cb 0.49 1.29 -0.16 0.00 1.24 0.00 0.00 39.78 42.64 3kyo n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3kyo s PHE 22 N -5.73 1.23 -0.26 1.20 0.08 -1.26 -0.90 117.98 112.33 3kyo s PHE 22 Ca 0.07 -0.32 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 3kyo s PHE 22 Cb -0.02 -0.84 -0.05 0.00 -0.57 0.00 0.00 43.02 41.54 3kyo s PHE 22 CO 0.04 -0.11 0.20 -1.17 -0.10 0.00 0.00 175.22 174.07 3kyo s LEU 23 N 0.08 4.06 -0.03 -0.37 2.96 0.42 -1.00 118.68 124.80 3kyo s LEU 23 Ca -0.02 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3kyo s LEU 23 Cb -0.09 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 3kyo s LEU 23 CO 0.01 -0.02 -0.03 0.20 -1.32 0.00 0.00 176.35 175.18 3kyo s ASN 24 N 1.49 4.90 -0.21 3.68 0.01 0.12 -1.34 114.94 123.60 3kyo s ASN 24 Ca 0.08 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 3kyo s ASN 24 Cb -0.15 -1.25 0.05 0.00 0.41 0.00 0.00 41.25 40.31 3kyo s ASN 24 CO 0.09 0.32 -0.06 0.00 -1.51 0.00 0.00 177.10 175.93 3kyo s TYR 26 N 1.48 3.22 -0.16 0.00 5.04 0.08 -0.96 117.35 126.04 3kyo s TYR 26 Ca -0.03 0.07 -0.02 0.00 -2.44 0.00 0.00 57.07 54.65 3kyo s TYR 26 Cb -0.17 -2.38 -0.01 0.00 0.35 0.00 0.00 41.96 39.74 3kyo s TYR 26 CO -0.07 -0.19 -0.09 0.14 -1.34 0.00 0.00 175.55 174.00 3kyo s VAL 27 N 1.75 3.24 0.18 3.14 -7.23 -0.72 -1.62 120.40 119.14 3kyo s VAL 27 Ca 0.07 -0.57 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 3kyo s VAL 27 Cb -0.16 -2.41 -0.00 0.00 0.56 0.00 0.00 36.38 34.37 3kyo s VAL 27 CO 0.11 0.49 0.35 -0.94 -0.31 0.00 0.00 175.10 174.80 3kyo s SER 28 N 0.75 -0.03 -0.51 4.85 1.04 -0.57 -1.48 113.70 117.75 3kyo s SER 28 Ca -0.04 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.59 3kyo s SER 28 Cb -0.15 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3kyo s SER 28 CO 0.02 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.89 3kyo n GLY 29 N -0.26 0.74 3.80 7.32 0.00 -0.45 -0.45 105.19 115.89 3kyo n GLY 29 Ca -0.07 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 3kyo n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kyo s PHE 30 N -2.12 3.19 -0.28 1.61 -0.71 -1.11 -4.33 117.98 114.23 3kyo s PHE 30 Ca 0.00 0.02 -0.18 0.00 -1.04 0.00 0.00 56.93 55.73 3kyo s PHE 30 Cb 0.00 -1.56 0.08 0.00 -1.21 0.00 0.00 43.02 40.33 3kyo s PHE 30 CO 0.00 0.52 0.71 -1.58 -1.34 0.00 0.00 175.22 173.53 3kyo s HIS 31 N -1.64 -1.00 0.16 3.49 2.46 -0.19 -0.50 115.29 118.08 3kyo s HIS 31 Ca 0.31 2.06 -0.03 0.00 0.47 0.00 0.00 55.06 57.87 3kyo s HIS 31 Cb -0.11 0.56 0.04 0.00 -0.13 0.00 0.00 32.58 32.93 3kyo s HIS 31 CO 0.23 -0.49 0.18 -0.35 -2.47 0.00 0.00 174.74 171.84 3kyo n PRO 32 N 3.96 -0.62 0.18 2.88 -0.04 -1.26 -0.29 135.00 139.80 3kyo n PRO 32 Ca -0.19 -0.28 0.11 0.00 -0.04 0.00 0.00 63.50 63.10 3kyo n PRO 32 Cb 0.58 -0.21 0.11 0.00 -0.04 0.00 0.00 33.50 33.93 3kyo n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kyo h SER 33 N -0.64 0.00 -2.95 3.54 4.64 -1.99 -3.45 113.55 112.69 3kyo h SER 33 Ca -0.06 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.73 3kyo h SER 33 Cb 0.18 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.30 3kyo h SER 33 CO 0.04 0.05 0.80 -1.81 -0.87 0.00 0.00 176.83 175.04 3kyo s ASP 34 N -5.97 6.70 0.03 4.97 1.11 -1.26 -4.99 116.67 117.25 3kyo s ASP 34 Ca 0.04 2.49 -0.20 0.00 0.18 0.00 0.00 52.55 55.06 3kyo s ASP 34 Cb 0.07 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.51 3kyo s ASP 34 CO 0.71 -0.74 0.46 -0.51 1.18 0.00 0.00 175.17 176.28 3kyo s ILE 35 N 1.01 0.04 -0.06 0.77 2.07 -1.26 -4.58 121.20 119.19 3kyo s ILE 35 Ca 0.67 -0.35 0.04 0.00 -1.41 0.00 0.00 60.65 59.59 3kyo s ILE 35 Cb -0.41 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.26 3kyo s ILE 35 CO 0.32 -0.19 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.38 3kyo s GLU 36 N -2.22 1.91 -0.03 3.50 2.02 -0.62 -5.00 118.70 118.26 3kyo s GLU 36 Ca -0.07 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 3kyo s GLU 36 Cb -0.01 -1.60 0.03 0.00 0.10 0.00 0.00 34.13 32.65 3kyo s GLU 36 CO -0.00 0.17 0.06 0.08 0.02 0.00 0.00 175.26 175.60 3kyo s VAL 37 N 0.25 -0.05 0.09 2.63 1.01 -1.26 -1.26 120.40 121.81 3kyo s VAL 37 Ca -0.09 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.16 3kyo s VAL 37 Cb -0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 3kyo s VAL 37 CO 0.03 0.07 -0.22 -1.81 0.00 0.00 0.00 175.10 173.18 3kyo s ASP 38 N 0.97 2.67 -0.09 3.32 1.01 -0.13 -4.99 116.67 119.44 3kyo s ASP 38 Ca -0.08 -0.64 -0.06 0.00 0.71 0.00 0.00 52.55 52.48 3kyo s ASP 38 Cb -0.11 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 3kyo s ASP 38 CO -0.03 0.12 0.14 -0.76 0.21 0.00 0.00 175.17 174.84 3kyo s LEU 39 N -1.67 4.32 -0.01 1.23 1.43 -1.26 -0.29 118.68 122.43 3kyo s LEU 39 Ca 0.08 0.41 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 3kyo s LEU 39 Cb -0.10 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 3kyo s LEU 39 CO 0.04 0.37 -0.26 -0.76 0.23 0.00 0.00 176.35 175.97 3kyo s LEU 40 N -1.24 2.07 -0.13 1.79 1.43 0.76 -0.94 118.68 122.41 3kyo s LEU 40 Ca 0.18 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3kyo s LEU 40 Cb -0.12 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.80 3kyo s LEU 40 CO 0.07 0.31 -0.16 -0.75 0.23 0.00 0.00 176.35 176.05 3kyo s LYS 41 N -0.70 2.43 -1.33 1.70 2.20 0.34 -1.41 119.74 122.97 3kyo s LYS 41 Ca 0.10 -0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 54.97 3kyo s LYS 41 Cb -0.10 -2.11 0.10 0.00 -1.51 0.00 0.00 37.83 34.21 3kyo s LYS 41 CO -0.01 -0.13 0.53 0.09 -0.36 0.00 0.00 175.35 175.47 3kyo n ASN 42 N 4.43 -3.33 0.00 1.43 3.02 0.87 -1.57 115.26 120.11 3kyo n ASN 42 Ca -0.19 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3kyo n ASN 42 Cb 0.51 -2.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 3kyo n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kyo n GLY 43 N -1.16 0.57 3.46 7.41 0.00 -1.26 -5.05 105.19 109.16 3kyo n GLY 43 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3kyo n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kyo s GLU 44 N -0.81 2.41 0.26 1.61 0.41 -0.61 -5.02 118.70 116.96 3kyo s GLU 44 Ca 0.00 -0.75 -0.30 0.00 -0.41 0.00 0.00 54.97 53.51 3kyo s GLU 44 Cb 0.00 -2.33 -0.14 0.00 -1.78 0.00 0.00 34.13 29.88 3kyo s GLU 44 CO 0.00 0.61 1.19 -2.13 -0.49 0.00 0.00 175.26 174.44 3kyo n ARG 45 N 2.20 1.63 -3.51 1.61 0.63 -1.26 -0.50 116.66 117.45 3kyo n ARG 45 Ca -0.17 0.58 -0.37 0.00 -0.92 0.00 0.00 57.85 56.96 3kyo n ARG 45 Cb 0.52 -2.08 -0.06 0.00 0.45 0.00 0.00 32.46 31.28 3kyo n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kyo s ILE 46 N -0.63 5.19 0.78 5.15 1.01 -0.12 -4.80 121.20 127.78 3kyo s ILE 46 Ca 0.63 0.71 -0.13 0.00 0.00 0.00 0.00 60.65 61.86 3kyo s ILE 46 Cb -0.69 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.16 3kyo s ILE 46 CO 0.56 0.48 1.16 -1.83 0.00 0.00 0.00 174.94 175.31 3kyo s GLU 47 N -0.26 1.94 -1.37 2.79 -1.05 -1.26 -4.32 118.70 115.16 3kyo s GLU 47 Ca 0.21 1.58 -0.09 0.00 -0.15 0.00 0.00 54.97 56.52 3kyo s GLU 47 Cb -0.15 -1.83 0.02 0.00 -0.44 0.00 0.00 34.13 31.73 3kyo s GLU 47 CO 0.09 -1.95 1.16 1.63 0.95 0.00 0.00 175.26 177.15 3kyo n LYS 48 N -3.19 -7.72 -3.06 -4.83 5.02 -1.26 -4.95 118.16 98.16 3kyo n LYS 48 Ca 0.12 0.81 -0.39 0.00 -2.02 0.00 0.00 58.31 56.82 3kyo n LYS 48 Cb 0.51 -5.85 -0.05 0.00 -0.02 0.00 0.00 35.03 29.62 3kyo n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kyo s VAL 49 N -3.32 4.75 0.38 -0.18 1.01 -1.26 -4.78 120.40 117.00 3kyo s VAL 49 Ca 0.58 1.51 0.08 0.00 0.00 0.00 0.00 61.98 64.15 3kyo s VAL 49 Cb -0.26 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3kyo s VAL 49 CO 0.74 0.40 0.17 -1.61 0.00 0.00 0.00 175.10 174.80 3kyo s GLU 50 N -0.24 2.30 0.06 2.72 2.02 -0.35 -4.94 118.70 120.26 3kyo s GLU 50 Ca 0.36 -1.69 -0.04 0.00 0.02 0.00 0.00 54.97 53.62 3kyo s GLU 50 Cb -0.20 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 3kyo s GLU 50 CO 0.21 -0.02 0.05 -3.38 0.02 0.00 0.00 175.26 172.14 3kyo s HIS 51 N -2.51 0.37 0.89 1.61 -3.43 -1.26 -1.22 115.29 109.73 3kyo s HIS 51 Ca 0.40 -0.85 -0.12 0.00 -0.80 0.00 0.00 55.06 53.69 3kyo s HIS 51 Cb 0.00 -0.26 0.13 0.00 -1.43 0.00 0.00 32.58 31.02 3kyo s HIS 51 CO 0.23 -0.42 1.15 -1.54 -2.00 0.00 0.00 174.74 172.16 3kyo s SER 52 N -2.76 3.72 0.25 7.38 1.04 0.68 -4.99 113.70 119.03 3kyo s SER 52 Ca 0.04 0.89 -0.30 0.00 0.48 0.00 0.00 55.95 57.07 3kyo s SER 52 Cb 0.05 -1.42 -0.09 0.00 0.10 0.00 0.00 66.02 64.66 3kyo s SER 52 CO -0.09 -2.41 1.21 -1.81 0.98 0.00 0.00 173.24 171.12 3kyo s ASP 53 N -4.20 7.03 0.28 7.02 1.01 -1.26 -4.70 116.67 121.86 3kyo s ASP 53 Ca 0.64 2.39 -0.30 0.00 0.71 0.00 0.00 52.55 55.98 3kyo s ASP 53 Cb -0.13 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.06 3kyo s ASP 53 CO 0.52 -0.37 1.59 -0.22 0.21 0.00 0.00 175.17 176.90 3kyo s LEU 54 N -0.97 4.35 0.00 1.23 2.96 -1.26 -4.85 118.68 120.14 3kyo s LEU 54 Ca 0.50 2.93 0.02 0.00 -0.22 0.00 0.00 54.13 57.36 3kyo s LEU 54 Cb -0.35 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.70 3kyo s LEU 54 CO 0.42 -0.90 0.25 -0.24 -1.32 0.00 0.00 176.35 174.56 3kyo n SER 55 N 2.29 -0.66 -3.86 3.68 2.88 -0.98 -5.01 113.62 111.95 3kyo n SER 55 Ca 0.08 -2.35 -0.10 0.00 -1.33 0.00 0.00 58.87 55.17 3kyo n SER 55 Cb 0.37 1.35 -0.09 0.00 -0.75 0.00 0.00 64.21 65.10 3kyo n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3kyo s PHE 56 N -3.21 0.07 0.77 0.66 -0.12 -1.26 -0.54 117.98 114.35 3kyo s PHE 56 Ca 0.23 -0.30 -0.04 0.00 -0.05 0.00 0.00 56.93 56.77 3kyo s PHE 56 Cb 0.00 -0.05 0.14 0.00 -0.63 0.00 0.00 43.02 42.49 3kyo s PHE 56 CO 0.16 -0.41 1.06 -1.12 -0.05 0.00 0.00 175.22 174.86 3kyo s SER 57 N -2.05 4.10 0.40 1.98 0.01 0.20 -4.93 113.70 113.41 3kyo s SER 57 Ca -0.06 -0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.07 3kyo s SER 57 Cb -0.01 -0.10 0.84 0.00 0.21 0.00 0.00 66.02 66.95 3kyo s SER 57 CO -0.04 -2.04 2.00 0.11 0.41 0.00 0.00 173.24 173.68 3kyo h LYS 58 N -0.76 0.39 -0.45 12.44 1.57 -2.03 -0.87 116.57 126.86 3kyo h LYS 58 Ca -0.38 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3kyo h LYS 58 Cb 1.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3kyo h LYS 58 CO 0.40 0.36 0.00 -0.40 -0.57 0.00 0.00 179.45 179.24 3kyo n ASP 59 N -4.39 1.88 0.00 0.86 5.75 -1.26 -4.90 116.55 114.49 3kyo n ASP 59 Ca 0.01 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 3kyo n ASP 59 Cb 0.15 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 3kyo n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3kyo n TRP 60 N 0.28 0.00 -2.91 2.11 7.02 -0.33 -5.02 117.44 118.60 3kyo n TRP 60 Ca 0.10 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.21 3kyo n TRP 60 Cb 0.35 -0.41 -0.06 0.00 -2.42 0.00 0.00 31.31 28.77 3kyo n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3kyo s SER 61 N -2.36 7.18 0.48 -0.99 1.04 -1.26 -4.74 113.70 113.05 3kyo s SER 61 Ca 0.00 1.66 -0.05 0.00 0.48 0.00 0.00 55.95 58.04 3kyo s SER 61 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 3kyo s SER 61 CO 0.00 -0.07 0.79 -0.36 0.98 0.00 0.00 173.24 174.58 3kyo s PHE 62 N -1.66 3.56 0.13 5.02 0.08 0.35 -0.63 117.98 124.83 3kyo s PHE 62 Ca 0.49 0.82 -0.17 0.00 0.12 0.00 0.00 56.93 58.19 3kyo s PHE 62 Cb -0.17 -2.30 0.04 0.00 -0.57 0.00 0.00 43.02 40.02 3kyo s PHE 62 CO 0.21 -0.27 0.43 1.52 -0.10 0.00 0.00 175.22 177.01 3kyo s TYR 63 N -2.74 -0.26 -0.18 0.36 -0.85 0.30 -1.34 117.35 112.64 3kyo s TYR 63 Ca 0.47 -0.04 -0.28 0.00 -0.52 0.00 0.00 57.07 56.71 3kyo s TYR 63 Cb -0.10 0.30 0.09 0.00 0.38 0.00 0.00 41.96 42.63 3kyo s TYR 63 CO 0.45 -0.72 0.82 -0.51 -1.52 0.00 0.00 175.55 174.07 3kyo s LEU 64 N -2.77 -0.59 -0.18 -3.49 1.43 -0.55 -2.33 118.68 110.19 3kyo s LEU 64 Ca 0.02 0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 54.01 3kyo s LEU 64 Cb 0.01 2.26 -0.02 0.00 0.03 0.00 0.00 46.19 48.48 3kyo s LEU 64 CO -0.12 -0.36 -0.06 -0.22 0.23 0.00 0.00 176.35 175.82 3kyo s LEU 65 N -0.42 2.95 -0.11 1.79 2.96 -1.26 -1.76 118.68 122.82 3kyo s LEU 65 Ca -0.03 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3kyo s LEU 65 Cb -0.03 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3kyo s LEU 65 CO 0.03 0.08 0.13 -0.31 -1.32 0.00 0.00 176.35 174.95 3kyo s TYR 66 N 0.86 3.54 0.10 5.38 1.51 -0.14 -0.23 117.35 128.39 3kyo s TYR 66 Ca -0.02 0.48 -0.19 0.00 -1.01 0.00 0.00 57.07 56.33 3kyo s TYR 66 Cb -0.15 -1.91 0.05 0.00 -0.11 0.00 0.00 41.96 39.84 3kyo s TYR 66 CO 0.01 0.70 0.48 1.52 -1.11 0.00 0.00 175.55 177.15 3kyo s TYR 67 N -1.03 -0.34 0.00 2.71 1.13 -0.36 -0.44 117.35 119.02 3kyo s TYR 67 Ca 0.16 0.18 -0.18 0.00 -1.41 0.00 0.00 57.07 55.81 3kyo s TYR 67 Cb -0.12 0.34 0.03 0.00 -1.10 0.00 0.00 41.96 41.11 3kyo s TYR 67 CO 0.05 -0.70 0.39 -0.08 -2.51 0.00 0.00 175.55 172.70 3kyo s THR 68 N -3.27 0.05 0.34 -3.49 -1.32 -0.45 -1.21 115.64 106.29 3kyo s THR 68 Ca -0.01 -0.43 -0.28 0.00 -1.21 0.00 0.00 61.69 59.77 3kyo s THR 68 Cb 0.00 -0.80 -0.10 0.00 -1.51 0.00 0.00 72.50 70.10 3kyo s THR 68 CO -0.08 -0.23 1.21 -0.70 -2.21 0.00 0.00 174.62 172.60 3kyo s GLU 69 N -1.76 4.35 0.09 7.08 2.12 -1.26 -0.44 118.70 128.88 3kyo s GLU 69 Ca -0.10 1.99 -0.22 0.00 0.36 0.00 0.00 54.97 57.00 3kyo s GLU 69 Cb -0.03 -2.99 0.06 0.00 0.26 0.00 0.00 34.13 31.43 3kyo s GLU 69 CO 0.02 -0.11 0.54 -0.59 -0.54 0.00 0.00 175.26 174.58 3kyo s PHE 70 N -1.22 -0.44 -0.36 5.30 -0.00 -0.08 -4.84 117.98 116.34 3kyo s PHE 70 Ca 0.50 0.38 -0.02 0.00 -0.00 0.00 0.00 56.93 57.79 3kyo s PHE 70 Cb -0.35 0.40 0.09 0.00 -0.00 0.00 0.00 43.02 43.16 3kyo s PHE 70 CO 0.45 -0.71 0.11 0.99 -0.00 0.00 0.00 175.22 176.06 3kyo s THR 71 N -2.98 3.07 0.56 -4.49 2.01 -1.26 -0.07 115.64 112.48 3kyo s THR 71 Ca -0.02 -1.84 -0.20 0.00 0.31 0.00 0.00 61.69 59.93 3kyo s THR 71 Cb -0.00 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3kyo s THR 71 CO -0.06 -0.47 1.24 -2.16 -0.69 0.00 0.00 174.62 172.49 3kyo s PRO 72 N 1.16 3.14 0.29 4.92 0.04 -1.26 -4.78 135.00 138.50 3kyo s PRO 72 Ca 0.04 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.04 3kyo s PRO 72 Cb -0.21 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3kyo s PRO 72 CO -0.03 -1.10 0.13 0.95 0.04 0.00 0.00 177.00 176.98 3kyo s THR 73 N -1.49 0.46 0.11 1.26 -4.23 -1.26 -1.21 115.64 109.28 3kyo s THR 73 Ca 0.74 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 59.04 3kyo s THR 73 Cb -0.33 -2.57 -0.09 0.00 1.34 0.00 0.00 72.50 70.85 3kyo s THR 73 CO 0.37 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 176.14 3kyo h GLU 74 N 2.28 0.18 0.00 3.99 4.81 -1.97 -3.24 114.58 120.63 3kyo h GLU 74 Ca -0.36 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3kyo h GLU 74 Cb 1.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3kyo h GLU 74 CO 0.57 0.12 -0.52 0.87 -0.73 0.00 0.00 179.01 179.32 3kyo h LYS 75 N 0.19 0.00 -6.56 1.92 1.57 -2.02 -3.46 116.57 108.20 3kyo h LYS 75 Ca 0.05 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.31 3kyo h LYS 75 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3kyo h LYS 75 CO -0.02 0.00 0.21 -0.51 -0.57 0.00 0.00 179.45 178.56 3kyo s ASP 76 N -4.38 7.43 -0.08 0.86 1.01 -1.22 -5.04 116.67 115.24 3kyo s ASP 76 Ca 0.07 1.69 0.00 0.00 0.71 0.00 0.00 52.55 55.02 3kyo s ASP 76 Cb 0.13 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 3kyo s ASP 76 CO 0.70 0.20 -0.06 -1.61 0.21 0.00 0.00 175.17 174.61 3kyo s GLU 77 N -1.16 2.85 0.23 8.23 2.02 -1.26 -4.78 118.70 124.83 3kyo s GLU 77 Ca 0.37 -0.54 0.11 0.00 0.02 0.00 0.00 54.97 54.92 3kyo s GLU 77 Cb -0.24 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 3kyo s GLU 77 CO 0.27 0.62 -0.20 0.71 0.02 0.00 0.00 175.26 176.68 3kyo s TYR 78 N -0.68 2.15 0.25 1.61 2.02 -1.26 -0.09 117.35 121.35 3kyo s TYR 78 Ca 0.10 -0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.22 3kyo s TYR 78 Cb -0.11 -0.99 0.02 0.00 -0.40 0.00 0.00 41.96 40.48 3kyo s TYR 78 CO 0.02 0.56 0.64 0.00 -1.57 0.00 0.00 175.55 175.20 3kyo s ALA 79 N -2.30 -1.04 -0.06 3.71 0.00 -0.50 -1.09 121.76 120.48 3kyo s ALA 79 Ca 0.25 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.94 3kyo s ALA 79 Cb -0.05 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 3kyo s ALA 79 CO 0.11 -0.95 -0.24 0.00 0.00 0.00 0.00 175.76 174.68 3kyo s ARG 81 N -0.15 3.20 -0.06 0.00 3.52 0.60 -0.78 118.95 125.28 3kyo s ARG 81 Ca -0.04 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 54.87 3kyo s ARG 81 Cb -0.14 -2.72 -0.00 0.00 -1.56 0.00 0.00 34.95 30.54 3kyo s ARG 81 CO 0.04 -0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.31 3kyo s VAL 82 N 1.13 1.64 0.08 7.11 1.01 -0.34 -0.96 120.40 130.07 3kyo s VAL 82 Ca 0.01 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.26 3kyo s VAL 82 Cb -0.14 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3kyo s VAL 82 CO -0.05 0.47 -0.23 0.21 0.00 0.00 0.00 175.10 175.50 3kyo s ASN 83 N 0.11 2.82 0.09 3.32 3.84 -0.39 -1.02 114.94 123.71 3kyo s ASN 83 Ca -0.07 -0.63 -0.23 0.00 0.21 0.00 0.00 52.86 52.13 3kyo s ASN 83 Cb -0.14 -0.21 0.06 0.00 -0.55 0.00 0.00 41.25 40.42 3kyo s ASN 83 CO 0.04 0.16 0.57 -2.28 -2.79 0.00 0.00 177.10 172.79 3kyo s HIS 84 N -0.96 -0.48 0.63 0.43 5.65 -1.26 -1.59 115.29 117.71 3kyo s HIS 84 Ca 0.09 0.43 0.37 0.00 0.25 0.00 0.00 55.06 56.20 3kyo s HIS 84 Cb -0.10 0.44 2.10 0.00 -1.18 0.00 0.00 32.58 33.84 3kyo s HIS 84 CO 0.03 -0.74 2.30 -0.24 -0.65 0.00 0.00 174.74 175.44 3kyo h VAL 85 N 2.41 0.27 -0.00 0.89 3.04 -1.94 -1.87 116.25 119.05 3kyo h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 3kyo h VAL 85 Cb 1.25 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 3kyo h VAL 85 CO 0.40 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.31 3kyo n THR 86 N -3.47 0.00 -4.94 3.17 -2.24 -1.26 -4.79 114.28 100.74 3kyo n THR 86 Ca -0.03 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 3kyo n THR 86 Cb 0.09 -0.45 -0.14 0.00 -2.10 0.00 0.00 70.33 67.74 3kyo n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kyo s LEU 87 N -1.99 2.59 0.21 3.22 1.43 -0.70 -4.97 118.68 118.47 3kyo s LEU 87 Ca 0.47 -0.30 0.19 0.00 -1.03 0.00 0.00 54.13 53.46 3kyo s LEU 87 Cb 0.22 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.93 3kyo s LEU 87 CO 0.36 0.28 1.16 0.77 0.23 0.00 0.00 176.35 179.16 3kyo h SER 88 N 5.83 0.00 -5.38 2.29 4.64 -1.87 -3.44 113.55 115.62 3kyo h SER 88 Ca -0.38 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.78 3kyo h SER 88 Cb 1.17 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 3kyo h SER 88 CO 0.51 0.31 -0.48 0.00 -0.87 0.00 0.00 176.83 176.30 3kyo s GLN 89 N -3.10 1.12 0.40 4.77 -2.07 -1.26 -5.14 119.66 114.37 3kyo s GLN 89 Ca 0.01 -1.37 -0.27 0.00 -1.82 0.00 0.00 55.36 51.91 3kyo s GLN 89 Cb 0.08 0.32 -0.10 0.00 -1.09 0.00 0.00 33.01 32.21 3kyo s GLN 89 CO 0.77 -0.38 1.48 -2.14 -1.32 0.00 0.00 175.29 173.70 3kyo s PRO 90 N -4.04 4.00 -0.21 9.60 0.02 -1.26 -4.92 135.00 138.18 3kyo s PRO 90 Ca 0.24 2.55 -0.15 0.00 0.02 0.00 0.00 61.00 63.66 3kyo s PRO 90 Cb 0.05 -2.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.64 3kyo s PRO 90 CO 0.04 -0.62 0.38 0.21 -0.33 0.00 0.00 177.00 176.68 3kyo s LYS 91 N -2.19 4.15 -0.18 5.54 2.20 -0.19 -4.91 119.74 124.16 3kyo s LYS 91 Ca 0.55 0.16 -0.04 0.00 -0.36 0.00 0.00 55.97 56.28 3kyo s LYS 91 Cb -0.46 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.29 3kyo s LYS 91 CO 0.62 -0.05 -0.02 0.42 -0.36 0.00 0.00 175.35 175.96 3kyo s ILE 92 N 1.35 3.85 -0.19 5.43 1.01 -1.26 -1.20 121.20 130.19 3kyo s ILE 92 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3kyo s ILE 92 Cb -0.15 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.62 3kyo s ILE 92 CO 0.08 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 174.62 3kyo s VAL 93 N 0.73 2.32 0.38 2.92 1.01 0.04 -4.96 120.40 122.83 3kyo s VAL 93 Ca -0.01 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 3kyo s VAL 93 Cb -0.14 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 3kyo s VAL 93 CO 0.02 0.48 0.96 -0.54 0.00 0.00 0.00 175.10 176.02 3kyo s LYS 94 N 1.32 4.39 -0.24 2.72 1.02 -1.26 -1.02 119.74 126.66 3kyo s LYS 94 Ca 0.04 1.25 -0.29 0.00 0.02 0.00 0.00 55.97 57.00 3kyo s LYS 94 Cb -0.14 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 3kyo s LYS 94 CO -0.11 0.10 1.52 -0.46 -0.92 0.00 0.00 175.35 175.49 3kyo s TRP 95 N -1.87 2.28 -0.45 3.18 -0.00 -0.25 -4.82 118.94 117.01 3kyo s TRP 95 Ca 0.56 0.64 -0.16 0.00 -0.00 0.00 0.00 56.10 57.14 3kyo s TRP 95 Cb -0.15 -3.96 0.05 0.00 -0.00 0.00 0.00 33.47 29.41 3kyo s TRP 95 CO 0.19 -2.57 0.40 0.34 -0.00 0.00 0.00 176.95 175.31 3kyo s ASP 96 N 3.79 6.15 0.00 5.86 -1.08 -1.26 -4.75 116.67 125.39 3kyo s ASP 96 Ca 0.67 -1.07 0.27 0.00 -0.52 0.00 0.00 52.55 51.90 3kyo s ASP 96 Cb -0.22 -2.19 0.86 0.00 -1.46 0.00 0.00 42.92 39.90 3kyo s ASP 96 CO 0.27 -0.60 1.65 -2.11 0.52 0.00 0.00 175.17 174.90 3kyo n ARG 97 N 5.34 0.22 -3.27 4.34 1.85 -1.26 -3.86 116.66 120.03 3kyo n ARG 97 Ca -0.11 -0.10 -0.25 0.00 -1.00 0.00 0.00 57.85 56.40 3kyo n ARG 97 Cb 0.45 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.30 3kyo n ARG 97 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3kyo n ASP 98 N -1.30 2.01 0.00 2.89 5.75 -1.26 -4.92 116.55 119.71 3kyo n ASP 98 Ca 0.08 -3.10 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 3kyo n ASP 98 Cb 0.33 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 3kyo n ASP 98 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32