#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eez s ILE 1 N 0.00 2.07 -0.20 2.02 1.01 -1.26 -5.02 121.20 119.83 1eez s ILE 1 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.67 1eez s ILE 1 Cb 0.00 -3.04 0.10 0.00 0.01 0.00 0.00 42.46 39.53 1eez s ILE 1 CO 0.00 0.01 0.35 -1.10 0.00 0.00 0.00 174.94 174.21 1eez s GLN 2 N -2.33 0.28 -0.10 2.79 -0.21 -1.26 -4.44 119.66 114.40 1eez s GLN 2 Ca 0.58 0.76 0.01 0.00 0.02 0.00 0.00 55.36 56.73 1eez s GLN 2 Cb -0.45 -0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.43 1eez s GLN 2 CO 0.58 -0.41 -0.13 1.03 -2.12 0.00 0.00 175.29 174.25 1eez s ARG 3 N 2.53 3.05 0.09 2.91 3.00 -0.45 -4.93 118.95 125.14 1eez s ARG 3 Ca 0.04 -0.69 -0.30 0.00 0.00 0.00 0.00 55.73 54.78 1eez s ARG 3 Cb -0.13 -2.54 -0.05 0.00 0.00 0.00 0.00 34.95 32.23 1eez s ARG 3 CO -0.13 0.38 0.96 -0.08 0.00 0.00 0.00 175.30 176.43 1eez s THR 4 N -0.07 4.58 0.24 0.02 -1.32 -1.26 -1.67 115.64 116.15 1eez s THR 4 Ca -0.02 2.07 -0.30 0.00 -1.21 0.00 0.00 61.69 62.23 1eez s THR 4 Cb -0.14 -4.32 -0.09 0.00 -1.51 0.00 0.00 72.50 66.44 1eez s THR 4 CO 0.04 0.29 1.32 -2.16 -2.21 0.00 0.00 174.62 171.89 1eez s PRO 5 N 0.20 4.38 0.16 7.08 0.04 -1.26 -4.30 135.00 141.30 1eez s PRO 5 Ca 0.48 2.12 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 1eez s PRO 5 Cb -0.23 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 1eez s PRO 5 CO 0.29 -0.24 0.53 0.15 0.04 0.00 0.00 177.00 177.78 1eez s LYS 6 N -0.62 3.91 -0.05 4.56 1.02 0.11 -4.87 119.74 123.80 1eez s LYS 6 Ca 0.55 0.40 0.04 0.00 0.02 0.00 0.00 55.97 56.98 1eez s LYS 6 Cb -0.38 -2.87 -0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1eez s LYS 6 CO 0.43 0.45 -0.16 0.42 -0.92 0.00 0.00 175.35 175.57 1eez s ILE 7 N -1.54 1.33 -0.06 2.17 1.01 -1.26 -1.76 121.20 121.09 1eez s ILE 7 Ca 0.40 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1eez s ILE 7 Cb -0.14 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.20 1eez s ILE 7 CO 0.19 0.39 0.01 -1.10 0.00 0.00 0.00 174.94 174.43 1eez s GLN 8 N 0.15 0.45 -0.23 2.79 -0.21 -0.85 -4.99 119.66 116.78 1eez s GLN 8 Ca -0.06 0.15 -0.04 0.00 0.02 0.00 0.00 55.36 55.43 1eez s GLN 8 Cb -0.12 -0.82 -0.01 0.00 1.00 0.00 0.00 33.01 33.06 1eez s GLN 8 CO 0.02 -0.28 -0.02 0.08 -2.12 0.00 0.00 175.29 172.98 1eez s VAL 9 N 1.84 3.52 0.22 1.09 1.01 -1.26 -0.93 120.40 125.89 1eez s VAL 9 Ca 0.02 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 1eez s VAL 9 Cb -0.12 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1eez s VAL 9 CO -0.04 0.39 0.62 -0.72 0.00 0.00 0.00 175.10 175.35 1eez s TYR 10 N 1.49 -0.24 0.19 5.22 1.13 -0.41 -4.56 117.35 120.18 1eez s TYR 10 Ca 0.06 -0.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.59 1eez s TYR 10 Cb -0.15 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 1eez s TYR 10 CO -0.02 -1.04 0.37 -1.54 -2.51 0.00 0.00 175.55 170.81 1eez s SER 11 N -2.87 6.37 0.18 -0.18 1.04 -1.26 0.11 113.70 117.09 1eez s SER 11 Ca 0.08 0.34 -0.11 0.00 0.48 0.00 0.00 55.95 56.75 1eez s SER 11 Cb -0.03 -1.98 0.07 0.00 0.10 0.00 0.00 66.02 64.18 1eez s SER 11 CO -0.01 -0.02 1.68 -0.09 0.98 0.00 0.00 173.24 175.78 1eez h ARG 12 N 2.01 0.99 -6.08 4.02 2.43 -1.47 -3.45 114.38 112.83 1eez h ARG 12 Ca -0.48 -0.25 -0.61 0.00 -0.81 0.00 0.00 59.98 57.83 1eez h ARG 12 Cb 1.19 -0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.49 1eez h ARG 12 CO 0.68 0.91 -0.71 -1.01 -1.51 0.00 0.00 179.97 178.33 1eez s HIS 13 N -5.27 2.39 0.32 2.20 3.76 -1.26 -5.04 115.29 112.39 1eez s HIS 13 Ca -0.12 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 1eez s HIS 13 Cb 0.13 -1.21 -0.12 0.00 1.11 0.00 0.00 32.58 32.49 1eez s HIS 13 CO 0.83 0.63 1.34 -2.30 -0.85 0.00 0.00 174.74 174.39 1eez n PRO 14 N -0.74 2.19 -2.38 8.40 -0.02 -1.26 -4.88 135.00 136.31 1eez n PRO 14 Ca -0.05 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 1eez n PRO 14 Cb 0.62 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1eez n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1eez s ALA 15 N -0.86 3.64 -0.14 3.55 0.00 -1.26 -5.02 121.76 121.67 1eez s ALA 15 Ca 0.58 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1eez s ALA 15 Cb -0.57 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 18.95 1eez s ALA 15 CO 0.60 -1.15 -0.12 -1.21 0.00 0.00 0.00 175.76 173.88 1eez s GLU 16 N 3.39 2.02 0.15 0.00 2.02 -1.26 -5.10 118.70 119.92 1eez s GLU 16 Ca 0.57 -0.45 -0.34 0.00 0.02 0.00 0.00 54.97 54.77 1eez s GLU 16 Cb -0.23 -1.92 -0.15 0.00 0.10 0.00 0.00 34.13 31.93 1eez s GLU 16 CO 0.17 -0.25 1.38 0.09 0.02 0.00 0.00 175.26 176.68 1eez n ASN 17 N 4.83 2.16 0.00 -0.19 3.02 -1.25 -1.80 115.26 122.05 1eez n ASN 17 Ca -0.15 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1eez n ASN 17 Cb 0.50 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1eez n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1eez n GLY 18 N 2.62 0.66 3.19 7.41 0.00 0.30 -4.99 105.19 114.37 1eez n GLY 18 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1eez n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eez s LYS 19 N -0.18 2.86 0.17 1.61 1.02 -0.74 -4.99 119.74 119.48 1eez s LYS 19 Ca 0.00 -0.81 -0.33 0.00 0.02 0.00 0.00 55.97 54.85 1eez s LYS 19 Cb 0.00 -2.18 -0.16 0.00 -0.52 0.00 0.00 37.83 34.97 1eez s LYS 19 CO 0.00 0.14 1.17 0.43 -0.92 0.00 0.00 175.35 176.17 1eez n SER 20 N 3.61 1.33 -0.96 2.83 7.64 -1.26 -4.15 113.62 122.66 1eez n SER 20 Ca -0.20 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1eez n SER 20 Cb 0.53 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1eez n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1eez n ASN 21 N 2.03 0.00 -3.99 6.43 2.85 0.13 -4.98 115.26 117.73 1eez n ASN 21 Ca 0.15 -0.96 -0.22 0.00 -0.11 0.00 0.00 54.58 53.44 1eez n ASN 21 Cb 0.24 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.10 1eez n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1eez s PHE 22 N -6.61 1.11 -0.23 1.20 0.40 -1.26 -1.10 117.98 111.48 1eez s PHE 22 Ca 0.00 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 1eez s PHE 22 Cb 0.00 -0.83 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 1eez s PHE 22 CO 0.00 -0.19 0.31 -1.17 0.70 0.00 0.00 175.22 174.87 1eez s LEU 23 N 0.53 4.11 0.13 -0.37 2.96 0.01 -1.05 118.68 124.99 1eez s LEU 23 Ca -0.09 0.32 0.08 0.00 -0.22 0.00 0.00 54.13 54.22 1eez s LEU 23 Cb -0.13 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1eez s LEU 23 CO 0.02 -0.05 -0.14 0.20 -1.32 0.00 0.00 176.35 175.06 1eez s ASN 24 N 1.19 4.13 -0.19 3.68 0.01 0.30 -2.17 114.94 121.89 1eez s ASN 24 Ca 0.14 -0.51 -0.05 0.00 -0.71 0.00 0.00 52.86 51.73 1eez s ASN 24 Cb -0.15 -0.68 0.07 0.00 0.41 0.00 0.00 41.25 40.91 1eez s ASN 24 CO 0.07 0.16 0.12 0.00 -1.51 0.00 0.00 177.10 175.94 1eez s TYR 26 N 2.17 3.22 -0.13 0.00 5.04 -0.11 -1.28 117.35 126.26 1eez s TYR 26 Ca 0.03 -0.41 -0.05 0.00 -2.44 0.00 0.00 57.07 54.20 1eez s TYR 26 Cb -0.16 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.66 1eez s TYR 26 CO -0.12 -0.44 0.05 0.14 -1.34 0.00 0.00 175.55 173.83 1eez s VAL 27 N 1.67 4.67 0.26 3.14 -7.23 -0.86 -2.00 120.40 120.07 1eez s VAL 27 Ca 0.05 -0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.01 1eez s VAL 27 Cb -0.18 -3.04 -0.00 0.00 0.56 0.00 0.00 36.38 33.73 1eez s VAL 27 CO 0.09 0.55 0.49 -0.94 -0.31 0.00 0.00 175.10 174.98 1eez s SER 28 N -0.37 0.02 -1.48 4.85 1.04 -0.72 -1.47 113.70 115.56 1eez s SER 28 Ca 0.09 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1eez s SER 28 Cb -0.12 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1eez s SER 28 CO 0.02 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1eez n GLY 29 N -0.41 1.42 3.93 7.32 0.00 -0.21 0.04 105.19 117.30 1eez n GLY 29 Ca -0.02 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 1eez n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1eez s PHE 30 N -2.42 3.04 -0.29 1.61 -0.71 -1.21 -4.17 117.98 113.83 1eez s PHE 30 Ca 0.00 -0.25 -0.20 0.00 -1.04 0.00 0.00 56.93 55.44 1eez s PHE 30 Cb 0.00 -1.90 0.16 0.00 -1.21 0.00 0.00 43.02 40.07 1eez s PHE 30 CO 0.00 0.08 1.14 -1.58 -1.34 0.00 0.00 175.22 173.52 1eez s HIS 31 N -2.22 -0.35 1.14 3.49 2.46 -0.67 -1.57 115.29 117.56 1eez s HIS 31 Ca 0.43 0.76 -0.19 0.00 0.47 0.00 0.00 55.06 56.53 1eez s HIS 31 Cb -0.08 0.32 0.28 0.00 -0.13 0.00 0.00 32.58 32.97 1eez s HIS 31 CO 0.29 -0.17 0.97 -0.35 -2.47 0.00 0.00 174.74 173.02 1eez n PRO 32 N 2.76 -3.10 0.22 2.88 -0.04 -1.26 -1.34 135.00 135.11 1eez n PRO 32 Ca -0.15 -1.56 0.10 0.00 -0.04 0.00 0.00 63.50 61.84 1eez n PRO 32 Cb 0.57 -1.51 0.42 0.00 -0.04 0.00 0.00 33.50 32.94 1eez n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1eez h SER 33 N -2.65 0.00 -2.44 3.54 4.64 -2.00 -3.44 113.55 111.20 1eez h SER 33 Ca -0.37 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.42 1eez h SER 33 Cb 1.15 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1eez h SER 33 CO 0.24 0.24 1.18 -1.81 -0.87 0.00 0.00 176.83 175.81 1eez s ASP 34 N -6.20 6.42 -0.15 4.97 1.11 -1.26 -4.94 116.67 116.62 1eez s ASP 34 Ca 0.01 2.74 -0.20 0.00 0.18 0.00 0.00 52.55 55.29 1eez s ASP 34 Cb 0.10 -2.55 0.05 0.00 1.07 0.00 0.00 42.92 41.59 1eez s ASP 34 CO 0.64 -1.04 0.52 -0.51 1.18 0.00 0.00 175.17 175.97 1eez s ILE 35 N 3.57 0.01 -0.31 0.77 2.07 -1.26 -4.67 121.20 121.38 1eez s ILE 35 Ca 0.85 -0.06 -0.08 0.00 -1.41 0.00 0.00 60.65 59.94 1eez s ILE 35 Cb -0.45 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.39 1eez s ILE 35 CO 0.39 -0.03 0.12 -0.70 -1.91 0.00 0.00 174.94 172.81 1eez s GLU 36 N -0.13 3.17 -0.12 3.50 2.12 0.45 -4.98 118.70 122.72 1eez s GLU 36 Ca -0.03 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.49 1eez s GLU 36 Cb -0.03 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.90 1eez s GLU 36 CO 0.02 -0.45 -0.14 0.08 -0.54 0.00 0.00 175.26 174.24 1eez s VAL 37 N 1.55 1.44 0.04 3.70 1.01 -1.26 -0.14 120.40 126.74 1eez s VAL 37 Ca 0.03 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1eez s VAL 37 Cb -0.17 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1eez s VAL 37 CO 0.04 0.43 -0.15 -1.81 0.00 0.00 0.00 175.10 173.61 1eez s ASP 38 N 1.19 1.79 -0.18 3.32 1.01 -0.10 -5.01 116.67 118.70 1eez s ASP 38 Ca -0.02 -0.46 -0.07 0.00 0.71 0.00 0.00 52.55 52.70 1eez s ASP 38 Cb -0.14 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.63 1eez s ASP 38 CO -0.05 0.06 0.06 -0.76 0.21 0.00 0.00 175.17 174.69 1eez s LEU 39 N -1.13 3.82 0.02 1.23 1.43 -1.26 -1.04 118.68 121.74 1eez s LEU 39 Ca 0.03 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1eez s LEU 39 Cb -0.08 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1eez s LEU 39 CO 0.01 0.18 -0.06 -0.76 0.23 0.00 0.00 176.35 175.96 1eez s LEU 40 N 0.32 3.22 -0.28 1.79 1.43 0.73 -0.24 118.68 125.64 1eez s LEU 40 Ca 0.03 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1eez s LEU 40 Cb -0.12 -1.87 0.08 0.00 0.03 0.00 0.00 46.19 44.31 1eez s LEU 40 CO 0.00 0.27 -0.01 -0.75 0.23 0.00 0.00 176.35 176.09 1eez s LYS 41 N -1.56 1.49 -1.43 1.70 2.20 0.17 -1.81 119.74 120.50 1eez s LYS 41 Ca 0.18 -1.28 -0.11 0.00 -0.36 0.00 0.00 55.97 54.41 1eez s LYS 41 Cb -0.11 -2.68 0.04 0.00 -1.51 0.00 0.00 37.83 33.56 1eez s LYS 41 CO 0.09 -0.75 1.10 0.09 -0.36 0.00 0.00 175.35 175.52 1eez n ASN 42 N 4.56 -5.86 0.00 1.43 3.02 0.76 -1.97 115.26 117.21 1eez n ASN 42 Ca -0.06 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1eez n ASN 42 Cb 0.43 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 1eez n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1eez n GLY 43 N -1.89 2.49 3.86 7.41 0.00 -1.26 -5.03 105.19 110.77 1eez n GLY 43 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1eez n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1eez s GLU 44 N -0.37 3.66 0.06 1.61 2.12 -0.83 -5.01 118.70 119.94 1eez s GLU 44 Ca 0.00 0.11 -0.31 0.00 0.36 0.00 0.00 54.97 55.13 1eez s GLU 44 Cb 0.00 -3.19 -0.08 0.00 0.26 0.00 0.00 34.13 31.12 1eez s GLU 44 CO 0.00 0.73 1.62 0.50 -0.54 0.00 0.00 175.26 177.57 1eez s ARG 45 N -1.10 4.21 0.06 4.30 3.52 -1.26 -0.65 118.95 128.03 1eez s ARG 45 Ca 0.20 2.29 -0.30 0.00 -0.13 0.00 0.00 55.73 57.78 1eez s ARG 45 Cb -0.14 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 1eez s ARG 45 CO 0.09 -0.71 1.08 0.42 -0.81 0.00 0.00 175.30 175.37 1eez s ILE 46 N 2.54 4.35 -0.02 4.11 1.01 0.66 -4.91 121.20 128.94 1eez s ILE 46 Ca 0.72 1.76 -0.24 0.00 0.00 0.00 0.00 60.65 62.90 1eez s ILE 46 Cb -0.39 -4.13 -0.20 0.00 0.01 0.00 0.00 42.46 37.75 1eez s ILE 46 CO 0.31 0.18 1.15 -0.33 0.00 0.00 0.00 174.94 176.26 1eez h GLU 47 N 6.40 0.19 -4.59 2.79 5.08 -1.93 -3.39 114.58 119.13 1eez h GLU 47 Ca -0.42 -0.15 -0.73 0.00 -1.00 0.00 0.00 59.36 57.06 1eez h GLU 47 Cb 1.22 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.35 1eez h GLU 47 CO 0.77 0.79 1.76 1.17 -1.00 0.00 0.00 179.01 182.50 1eez n LYS 48 N -4.59 3.37 -4.09 2.33 4.81 -1.26 -4.94 118.16 113.80 1eez n LYS 48 Ca -0.09 -3.61 -0.34 0.00 -0.87 0.00 0.00 58.31 53.41 1eez n LYS 48 Cb 0.42 -3.10 -0.15 0.00 0.02 0.00 0.00 35.03 32.22 1eez n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1eez s VAL 49 N 1.80 2.83 0.42 3.15 1.01 -1.26 -4.60 120.40 123.74 1eez s VAL 49 Ca 0.44 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1eez s VAL 49 Cb 0.02 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 1eez s VAL 49 CO 0.01 0.48 0.48 -1.61 0.00 0.00 0.00 175.10 174.46 1eez s GLU 50 N 1.29 2.68 -0.03 2.72 2.02 -0.59 -4.91 118.70 121.88 1eez s GLU 50 Ca 0.04 -1.39 -0.20 0.00 0.02 0.00 0.00 54.97 53.44 1eez s GLU 50 Cb -0.14 -2.58 0.04 0.00 0.10 0.00 0.00 34.13 31.55 1eez s GLU 50 CO -0.06 -0.25 0.43 -3.38 0.02 0.00 0.00 175.26 172.03 1eez s HIS 51 N -2.41 -0.34 1.06 1.61 -3.43 -1.26 -1.12 115.29 109.40 1eez s HIS 51 Ca 0.52 0.56 -0.12 0.00 -0.80 0.00 0.00 55.06 55.22 1eez s HIS 51 Cb -0.07 0.20 0.23 0.00 -1.43 0.00 0.00 32.58 31.51 1eez s HIS 51 CO 0.31 -0.46 1.07 -1.54 -2.00 0.00 0.00 174.74 172.11 1eez s SER 52 N -1.27 1.83 0.10 7.38 1.04 0.29 -4.94 113.70 118.14 1eez s SER 52 Ca -0.13 1.69 -0.30 0.00 0.48 0.00 0.00 55.95 57.69 1eez s SER 52 Cb -0.03 -2.35 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 1eez s SER 52 CO 0.06 -3.70 1.11 -1.81 0.98 0.00 0.00 173.24 169.88 1eez s ASP 53 N -2.70 7.22 0.02 7.02 1.01 -1.26 -4.64 116.67 123.34 1eez s ASP 53 Ca 0.67 1.98 -0.37 0.00 0.71 0.00 0.00 52.55 55.55 1eez s ASP 53 Cb -0.23 -2.59 -0.16 0.00 1.01 0.00 0.00 42.92 40.95 1eez s ASP 53 CO 0.62 -0.31 1.49 -0.11 0.21 0.00 0.00 175.17 177.06 1eez n LEU 54 N 3.20 2.12 -4.09 1.23 7.94 -1.26 -4.93 117.00 121.21 1eez n LEU 54 Ca 0.05 1.10 -0.13 0.00 -1.11 0.00 0.00 56.01 55.92 1eez n LEU 54 Cb 0.47 -1.23 -0.06 0.00 0.53 0.00 0.00 43.42 43.14 1eez n LEU 54 CO 0.54 -0.75 0.07 -0.55 -1.11 0.00 0.00 177.39 175.59 1eez s SER 55 N 1.35 0.53 0.21 1.96 0.15 -1.23 -5.06 113.70 111.62 1eez s SER 55 Ca 0.87 -1.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.15 1eez s SER 55 Cb -0.92 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1eez s SER 55 CO 0.49 -1.16 0.22 0.72 1.20 0.00 0.00 173.24 174.71 1eez s PHE 56 N -3.53 0.90 0.64 3.44 -0.71 -1.26 -1.61 117.98 115.85 1eez s PHE 56 Ca 0.30 -1.17 0.05 0.00 -1.04 0.00 0.00 56.93 55.07 1eez s PHE 56 Cb 0.01 -0.34 0.11 0.00 -1.21 0.00 0.00 43.02 41.59 1eez s PHE 56 CO 0.16 -0.73 0.89 -1.12 -1.34 0.00 0.00 175.22 173.08 1eez s SER 57 N -3.11 4.75 0.37 1.98 0.01 -0.37 -4.93 113.70 112.39 1eez s SER 57 Ca 0.33 -0.66 0.14 0.00 1.31 0.00 0.00 55.95 57.07 1eez s SER 57 Cb 0.05 0.20 0.97 0.00 0.21 0.00 0.00 66.02 67.45 1eez s SER 57 CO 0.10 -1.59 1.78 0.11 0.41 0.00 0.00 173.24 174.06 1eez h LYS 58 N -0.14 0.51 -0.48 12.44 1.57 -2.03 0.75 116.57 129.19 1eez h LYS 58 Ca -0.32 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1eez h LYS 58 Cb 1.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1eez h LYS 58 CO 0.40 0.34 0.00 -0.40 -0.57 0.00 0.00 179.45 179.22 1eez n ASP 59 N -4.67 1.80 0.00 0.86 5.75 -1.26 -4.91 116.55 114.12 1eez n ASP 59 Ca 0.24 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1eez n ASP 59 Cb 0.74 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1eez n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1eez n TRP 60 N 0.21 0.00 -2.11 2.11 7.02 0.26 -5.00 117.44 119.93 1eez n TRP 60 Ca 0.09 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.16 1eez n TRP 60 Cb 0.34 -0.16 -0.02 0.00 -2.42 0.00 0.00 31.31 29.05 1eez n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1eez s SER 61 N -3.14 6.73 0.63 -0.99 1.04 -1.26 -4.61 113.70 112.09 1eez s SER 61 Ca 0.00 2.69 -0.11 0.00 0.48 0.00 0.00 55.95 59.01 1eez s SER 61 Cb 0.00 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 1eez s SER 61 CO 0.00 -0.57 1.03 -0.36 0.98 0.00 0.00 173.24 174.33 1eez s PHE 62 N -1.15 3.55 -0.17 5.02 0.08 -0.61 -1.24 117.98 123.46 1eez s PHE 62 Ca 0.50 1.31 -0.14 0.00 0.12 0.00 0.00 56.93 58.72 1eez s PHE 62 Cb -0.40 -2.74 0.05 0.00 -0.57 0.00 0.00 43.02 39.36 1eez s PHE 62 CO 0.53 -0.76 0.45 1.52 -0.10 0.00 0.00 175.22 176.86 1eez s TYR 63 N -3.15 -0.55 0.01 0.36 -0.85 -0.63 -1.04 117.35 111.50 1eez s TYR 63 Ca 0.56 1.27 -0.02 0.00 -0.52 0.00 0.00 57.07 58.35 1eez s TYR 63 Cb -0.11 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 1eez s TYR 63 CO 0.54 -0.28 0.02 -0.51 -1.52 0.00 0.00 175.55 173.80 1eez s LEU 64 N 0.60 2.00 -0.21 -3.49 1.43 -0.55 -3.48 118.68 114.98 1eez s LEU 64 Ca -0.03 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1eez s LEU 64 Cb -0.05 0.26 0.00 0.00 0.03 0.00 0.00 46.19 46.44 1eez s LEU 64 CO -0.04 -0.28 -0.09 -0.22 0.23 0.00 0.00 176.35 175.95 1eez s LEU 65 N -1.26 2.67 -0.12 1.79 2.96 -1.26 -2.02 118.68 121.45 1eez s LEU 65 Ca -0.14 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.20 1eez s LEU 65 Cb -0.08 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1eez s LEU 65 CO -0.00 -0.02 0.09 -0.31 -1.32 0.00 0.00 176.35 174.78 1eez s TYR 66 N 1.41 3.41 0.02 5.38 1.51 -0.40 -0.54 117.35 128.13 1eez s TYR 66 Ca 0.05 0.36 -0.25 0.00 -1.01 0.00 0.00 57.07 56.22 1eez s TYR 66 Cb -0.14 -1.93 0.06 0.00 -0.11 0.00 0.00 41.96 39.84 1eez s TYR 66 CO -0.06 0.55 0.58 1.52 -1.11 0.00 0.00 175.55 177.03 1eez s TYR 67 N -0.71 -0.51 0.01 2.71 1.13 -0.27 -0.82 117.35 118.88 1eez s TYR 67 Ca 0.12 0.71 -0.11 0.00 -1.41 0.00 0.00 57.07 56.38 1eez s TYR 67 Cb -0.12 0.38 0.01 0.00 -1.10 0.00 0.00 41.96 41.13 1eez s TYR 67 CO 0.03 -0.63 0.22 -0.08 -2.51 0.00 0.00 175.55 172.57 1eez s THR 68 N -2.00 0.08 0.30 -3.49 -1.32 -0.92 -1.54 115.64 106.75 1eez s THR 68 Ca -0.08 -0.67 -0.27 0.00 -1.21 0.00 0.00 61.69 59.46 1eez s THR 68 Cb -0.01 -0.65 -0.09 0.00 -1.51 0.00 0.00 72.50 70.24 1eez s THR 68 CO 0.02 -0.37 0.97 -1.61 -2.21 0.00 0.00 174.62 171.43 1eez s GLU 69 N -1.74 4.62 0.19 7.08 2.02 -1.26 -0.81 118.70 128.79 1eez s GLU 69 Ca -0.11 1.45 -0.23 0.00 0.02 0.00 0.00 54.97 56.10 1eez s GLU 69 Cb -0.05 -2.95 0.05 0.00 0.10 0.00 0.00 34.13 31.28 1eez s GLU 69 CO 0.01 0.29 0.74 -0.59 0.02 0.00 0.00 175.26 175.74 1eez s PHE 70 N -1.44 -0.31 -0.33 1.61 -0.71 -0.26 -4.85 117.98 111.69 1eez s PHE 70 Ca 0.48 -0.01 0.03 0.00 -1.04 0.00 0.00 56.93 56.39 1eez s PHE 70 Cb -0.23 0.63 0.10 0.00 -1.21 0.00 0.00 43.02 42.31 1eez s PHE 70 CO 0.29 -0.97 0.05 0.99 -1.34 0.00 0.00 175.22 174.24 1eez s THR 71 N -3.66 2.01 0.18 -4.49 2.01 -1.26 0.20 115.64 110.62 1eez s THR 71 Ca 0.07 -2.11 -0.32 0.00 0.31 0.00 0.00 61.69 59.64 1eez s THR 71 Cb -0.03 -2.47 -0.12 0.00 0.01 0.00 0.00 72.50 69.90 1eez s THR 71 CO -0.02 -0.56 1.75 -0.81 -0.69 0.00 0.00 174.62 174.28 1eez n PRO 72 N 4.37 2.72 -4.18 4.92 -0.04 -1.26 -4.69 135.00 136.85 1eez n PRO 72 Ca 0.01 0.98 -0.23 0.00 -0.04 0.00 0.00 63.50 64.23 1eez n PRO 72 Cb 0.42 -2.84 -0.06 0.00 -0.04 0.00 0.00 33.50 30.98 1eez n PRO 72 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1eez s THR 73 N 1.62 3.43 -0.06 0.52 -1.32 -1.26 -0.54 115.64 118.03 1eez s THR 73 Ca 0.78 -1.74 0.29 0.00 -1.21 0.00 0.00 61.69 59.80 1eez s THR 73 Cb -0.52 -2.98 0.36 0.00 -1.51 0.00 0.00 72.50 67.85 1eez s THR 73 CO 0.34 -0.29 1.85 1.05 -2.21 0.00 0.00 174.62 175.36 1eez h GLU 74 N 1.68 0.00 0.00 7.08 4.11 -1.96 -3.26 114.58 122.23 1eez h GLU 74 Ca -0.45 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.72 1eez h GLU 74 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1eez h GLU 74 CO 0.61 0.03 -1.86 1.17 0.07 0.00 0.00 179.01 179.04 1eez n LYS 75 N -3.12 0.65 -2.51 1.06 4.81 -1.26 -4.96 118.16 112.82 1eez n LYS 75 Ca 0.02 0.15 -0.41 0.00 -0.87 0.00 0.00 58.31 57.19 1eez n LYS 75 Cb 0.39 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 33.71 1eez n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1eez s ASP 76 N -5.71 7.24 -0.04 3.14 1.01 -1.23 -5.04 116.67 116.04 1eez s ASP 76 Ca -0.06 2.04 0.02 0.00 0.71 0.00 0.00 52.55 55.26 1eez s ASP 76 Cb 0.08 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1eez s ASP 76 CO 0.83 -0.26 -0.08 -1.61 0.21 0.00 0.00 175.17 174.26 1eez s GLU 77 N -0.03 2.65 0.16 8.23 2.02 -1.26 -4.76 118.70 125.70 1eez s GLU 77 Ca 0.51 -0.63 0.06 0.00 0.02 0.00 0.00 54.97 54.93 1eez s GLU 77 Cb -0.29 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 1eez s GLU 77 CO 0.33 0.64 -0.12 0.71 0.02 0.00 0.00 175.26 176.84 1eez s TYR 78 N -0.87 1.41 0.32 1.61 2.02 -1.26 -0.17 117.35 120.41 1eez s TYR 78 Ca 0.14 -0.66 -0.19 0.00 -0.37 0.00 0.00 57.07 56.00 1eez s TYR 78 Cb -0.11 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 40.79 1eez s TYR 78 CO 0.04 0.17 0.77 0.00 -1.57 0.00 0.00 175.55 174.95 1eez s ALA 79 N -2.92 -1.03 -0.10 3.71 0.00 -0.75 -0.81 121.76 119.86 1eez s ALA 79 Ca 0.16 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1eez s ALA 79 Cb -0.00 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.91 1eez s ALA 79 CO 0.03 -1.02 -0.04 0.00 0.00 0.00 0.00 175.76 174.73 1eez s ARG 81 N 1.80 3.88 0.04 0.00 3.52 -0.21 -0.51 118.95 127.48 1eez s ARG 81 Ca 0.05 -0.37 0.08 0.00 -0.13 0.00 0.00 55.73 55.36 1eez s ARG 81 Cb -0.13 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1eez s ARG 81 CO -0.07 0.01 -0.24 0.08 -0.81 0.00 0.00 175.30 174.27 1eez s VAL 82 N 1.14 1.92 -0.00 7.11 1.01 0.20 -0.92 120.40 130.86 1eez s VAL 82 Ca 0.05 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1eez s VAL 82 Cb -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1eez s VAL 82 CO 0.04 0.31 -0.01 0.21 0.00 0.00 0.00 175.10 175.65 1eez s ASN 83 N -1.17 0.17 0.15 3.32 3.04 0.80 0.29 114.94 121.55 1eez s ASN 83 Ca 0.10 -0.02 -0.20 0.00 0.04 0.00 0.00 52.86 52.78 1eez s ASN 83 Cb -0.09 -0.04 0.05 0.00 -1.54 0.00 0.00 41.25 39.63 1eez s ASN 83 CO 0.02 -0.00 0.52 -2.28 -3.04 0.00 0.00 177.10 172.31 1eez s HIS 84 N 0.13 -0.35 0.66 0.43 5.65 -1.26 -0.41 115.29 120.14 1eez s HIS 84 Ca -0.01 0.07 0.36 0.00 0.25 0.00 0.00 55.06 55.74 1eez s HIS 84 Cb -0.02 0.43 1.97 0.00 -1.18 0.00 0.00 32.58 33.77 1eez s HIS 84 CO -0.00 -0.81 2.11 -0.39 -0.65 0.00 0.00 174.74 174.99 1eez h VAL 85 N 2.17 0.00 -0.39 0.89 -1.51 -1.94 -0.55 116.25 114.92 1eez h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1eez h VAL 85 Cb 1.28 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1eez h VAL 85 CO 0.41 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.10 1eez n THR 86 N -2.96 0.51 -4.53 7.19 -2.24 -1.26 -4.82 114.28 106.17 1eez n THR 86 Ca -0.02 -0.55 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 1eez n THR 86 Cb 0.25 0.34 -0.17 0.00 -2.10 0.00 0.00 70.33 68.65 1eez n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1eez s LEU 87 N -1.13 1.91 0.22 3.22 1.43 -0.22 -4.95 118.68 119.16 1eez s LEU 87 Ca 0.30 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1eez s LEU 87 Cb 0.16 -1.27 0.18 0.00 0.03 0.00 0.00 46.19 45.29 1eez s LEU 87 CO 0.22 0.04 1.76 0.77 0.23 0.00 0.00 176.35 179.36 1eez h SER 88 N 7.42 1.05 -4.68 2.29 4.64 -1.87 -3.43 113.55 118.96 1eez h SER 88 Ca -0.32 -0.20 -0.22 0.00 -0.47 0.00 0.00 61.79 60.58 1eez h SER 88 Cb 1.18 -0.27 -0.15 0.00 -0.31 0.00 0.00 62.40 62.84 1eez h SER 88 CO 0.53 0.98 -0.70 0.00 -0.87 0.00 0.00 176.83 176.76 1eez s GLN 89 N -5.38 0.79 0.35 4.77 -2.07 -1.26 -5.12 119.66 111.75 1eez s GLN 89 Ca -0.12 -1.28 -0.25 0.00 -1.82 0.00 0.00 55.36 51.89 1eez s GLN 89 Cb 0.15 -0.17 -0.13 0.00 -1.09 0.00 0.00 33.01 31.77 1eez s GLN 89 CO 0.84 -0.02 0.85 -2.30 -1.32 0.00 0.00 175.29 173.34 1eez n PRO 90 N 0.10 1.04 -3.84 9.60 -0.02 -1.26 -4.93 135.00 135.68 1eez n PRO 90 Ca -0.13 0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 61.36 1eez n PRO 90 Cb 0.60 -1.75 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 1eez n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1eez s LYS 91 N -1.65 3.75 -0.18 -0.52 2.47 0.15 -4.90 119.74 118.85 1eez s LYS 91 Ca 0.62 -0.44 -0.02 0.00 -1.56 0.00 0.00 55.97 54.57 1eez s LYS 91 Cb -0.65 -3.30 -0.01 0.00 -1.46 0.00 0.00 37.83 32.41 1eez s LYS 91 CO 0.58 -0.06 -0.10 0.42 0.16 0.00 0.00 175.35 176.35 1eez s ILE 92 N 1.27 3.03 -0.16 5.43 1.01 -1.26 0.63 121.20 131.15 1eez s ILE 92 Ca 0.05 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1eez s ILE 92 Cb -0.15 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1eez s ILE 92 CO 0.04 0.48 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 1eez s VAL 93 N 1.05 2.40 0.39 2.92 1.01 0.33 -4.93 120.40 123.58 1eez s VAL 93 Ca -0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 1eez s VAL 93 Cb -0.15 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.13 1eez s VAL 93 CO -0.02 0.53 0.95 -0.54 0.00 0.00 0.00 175.10 176.02 1eez s LYS 94 N 0.91 4.34 0.11 2.72 1.02 -1.26 -0.03 119.74 127.54 1eez s LYS 94 Ca -0.04 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.87 1eez s LYS 94 Cb -0.15 -2.40 -0.06 0.00 -0.52 0.00 0.00 37.83 34.70 1eez s LYS 94 CO -0.03 0.06 0.95 -0.46 -0.92 0.00 0.00 175.35 174.95 1eez s TRP 95 N -1.96 3.81 -0.15 3.18 -0.00 0.01 -4.86 118.94 118.97 1eez s TRP 95 Ca 0.58 1.79 -0.01 0.00 -0.00 0.00 0.00 56.10 58.45 1eez s TRP 95 Cb -0.13 -3.04 0.04 0.00 -0.00 0.00 0.00 33.47 30.35 1eez s TRP 95 CO 0.17 0.22 -0.02 0.34 -0.00 0.00 0.00 176.95 177.66 1eez s ASP 96 N -0.05 2.62 0.00 5.86 -1.08 -1.26 -4.76 116.67 117.99 1eez s ASP 96 Ca 0.46 -0.59 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 1eez s ASP 96 Cb -0.23 -0.76 0.00 0.00 -1.46 0.00 0.00 42.92 40.47 1eez s ASP 96 CO 0.29 -0.21 0.57 0.54 0.52 0.00 0.00 175.17 176.89 1eez n ARG 97 N 4.96 0.00 -0.39 4.34 1.74 -1.26 -0.99 116.66 125.06 1eez n ARG 97 Ca -0.10 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.21 1eez n ARG 97 Cb 0.48 -1.65 0.22 0.00 -1.02 0.00 0.00 32.46 30.49 1eez n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1eez n ASP 98 N -1.07 3.20 0.00 0.55 8.00 -1.26 -4.89 116.55 121.07 1eez n ASP 98 Ca 0.00 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.33 1eez n ASP 98 Cb 0.15 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1eez n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04