#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe0 s ASN 17 N 0.00 1.38 0.04 1.08 2.47 -1.26 -1.26 114.94 117.39 1xe0 s ASN 17 Ca 0.00 -0.17 0.06 0.00 0.42 0.00 0.00 52.86 53.17 1xe0 s ASN 17 Cb 0.00 0.29 -0.03 0.00 -1.45 0.00 0.00 41.25 40.06 1xe0 s ASN 17 CO 0.00 -0.31 -0.14 -0.36 -3.72 0.00 0.00 177.10 172.57 1xe0 s PHE 18 N 2.30 2.68 0.35 0.43 0.40 -0.53 -4.96 117.98 118.64 1xe0 s PHE 18 Ca 0.05 -0.18 -0.28 0.00 -0.60 0.00 0.00 56.93 55.92 1xe0 s PHE 18 Cb -0.15 -1.50 -0.12 0.00 0.51 0.00 0.00 43.02 41.76 1xe0 s PHE 18 CO -0.11 0.31 1.34 1.28 0.70 0.00 0.00 175.22 178.74 1xe0 n LEU 19 N 1.46 3.87 -4.11 -0.37 4.77 -1.26 0.47 117.00 121.82 1xe0 n LEU 19 Ca -0.16 1.21 -0.17 0.00 -0.03 0.00 0.00 56.01 56.86 1xe0 n LEU 19 Cb 0.52 -1.52 -0.12 0.00 -2.33 0.00 0.00 43.42 39.97 1xe0 n LEU 19 CO 0.29 -0.33 -0.44 0.12 -1.33 0.00 0.00 177.39 175.70 1xe0 s PHE 20 N -1.10 0.99 0.08 -1.77 5.36 -0.40 -4.57 117.98 116.57 1xe0 s PHE 20 Ca 0.55 -0.40 -0.26 0.00 -0.96 0.00 0.00 56.93 55.86 1xe0 s PHE 20 Cb -0.54 -0.58 0.08 0.00 -0.34 0.00 0.00 43.02 41.63 1xe0 s PHE 20 CO 0.63 0.00 0.66 0.20 -1.46 0.00 0.00 175.22 175.25 1xe0 s GLY 21 N -1.35 -0.58 0.08 13.12 0.00 -1.26 -1.29 107.32 116.04 1xe0 s GLY 21 Ca -0.03 0.81 -0.14 0.00 0.00 0.00 0.00 44.72 45.36 1xe0 s GLY 21 CO 0.01 0.41 0.33 0.00 0.00 0.00 0.00 173.10 173.86 1xe0 s GLU 23 N -3.28 3.15 -0.10 0.00 2.12 -1.26 -1.26 118.70 118.07 1xe0 s GLU 23 Ca -0.00 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.54 1xe0 s GLU 23 Cb 0.01 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 1xe0 s GLU 23 CO -0.08 0.12 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.10 1xe0 s LEU 24 N 0.53 2.68 0.00 2.70 1.43 0.28 -4.90 118.68 121.39 1xe0 s LEU 24 Ca -0.12 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.53 1xe0 s LEU 24 Cb -0.17 -1.57 0.06 0.00 0.03 0.00 0.00 46.19 44.54 1xe0 s LEU 24 CO 0.04 0.23 0.78 2.29 0.23 0.00 0.00 176.35 179.93 1xe0 n LYS 25 N 3.07 1.08 -0.18 1.70 2.85 -0.32 -0.72 118.16 125.65 1xe0 n LYS 25 Ca -0.18 -2.12 0.00 0.00 -1.05 0.00 0.00 58.31 54.97 1xe0 n LYS 25 Cb 0.52 2.65 0.25 0.00 -0.65 0.00 0.00 35.03 37.81 1xe0 n LYS 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xe0 h ALA 26 N 2.00 1.42 -0.70 0.58 0.00 -1.92 0.75 119.26 121.40 1xe0 h ALA 26 Ca -0.32 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.59 1xe0 h ALA 26 Cb 1.20 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1xe0 h ALA 26 CO 0.41 0.49 0.46 0.22 0.00 0.00 0.00 179.25 180.83 1xe0 h ASP 27 N 0.92 0.52 -1.12 0.00 1.82 -1.96 -3.40 116.42 113.20 1xe0 h ASP 27 Ca 0.24 0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.68 1xe0 h ASP 27 Cb -0.01 -0.10 -0.19 0.00 0.68 0.00 0.00 39.33 39.71 1xe0 h ASP 27 CO -0.04 0.32 -0.55 1.17 -1.61 0.00 0.00 179.24 178.52 1xe0 n LYS 28 N -4.49 0.51 0.10 0.28 4.81 0.22 -5.00 118.16 114.60 1xe0 n LYS 28 Ca 0.11 -2.17 0.13 0.00 -0.87 0.00 0.00 58.31 55.51 1xe0 n LYS 28 Cb 0.34 -1.49 0.45 0.00 0.02 0.00 0.00 35.03 34.34 1xe0 n LYS 28 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1xe0 n LYS 29 N 2.84 0.21 -4.37 1.64 5.02 -0.98 -1.17 118.16 121.35 1xe0 n LYS 29 Ca 0.19 0.28 -0.24 0.00 -2.02 0.00 0.00 58.31 56.52 1xe0 n LYS 29 Cb 0.55 -1.80 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 1xe0 n LYS 29 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xe0 s GLU 30 N -3.17 1.15 -0.06 1.97 2.02 -1.26 -0.66 118.70 118.69 1xe0 s GLU 30 Ca 0.08 -1.05 0.03 0.00 0.02 0.00 0.00 54.97 54.05 1xe0 s GLU 30 Cb 0.12 -1.33 0.01 0.00 0.10 0.00 0.00 34.13 33.03 1xe0 s GLU 30 CO 0.51 0.32 -0.13 -0.47 0.02 0.00 0.00 175.26 175.51 1xe0 s TYR 31 N -1.05 1.50 -0.27 1.61 5.04 0.07 -4.99 117.35 119.25 1xe0 s TYR 31 Ca 0.05 -0.53 -0.06 0.00 -2.44 0.00 0.00 57.07 54.09 1xe0 s TYR 31 Cb -0.10 -1.08 -0.00 0.00 0.35 0.00 0.00 41.96 41.13 1xe0 s TYR 31 CO 0.03 -0.26 0.05 0.45 -1.34 0.00 0.00 175.55 174.48 1xe0 s SER 32 N 0.56 4.97 -0.31 4.32 0.15 -1.26 -0.83 113.70 121.30 1xe0 s SER 32 Ca -0.13 -0.54 -0.14 0.00 0.70 0.00 0.00 55.95 55.85 1xe0 s SER 32 Cb -0.15 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 1xe0 s SER 32 CO 0.04 -0.12 0.31 0.12 1.20 0.00 0.00 173.24 174.78 1xe0 s PHE 33 N 1.52 3.22 0.00 3.44 5.36 0.19 -4.99 117.98 126.72 1xe0 s PHE 33 Ca 0.04 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 1xe0 s PHE 33 Cb -0.16 -2.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.96 1xe0 s PHE 33 CO 0.02 -0.31 0.00 1.63 -1.46 0.00 0.00 175.22 175.09 1xe0 n LYS 34 N 5.26 0.00 0.00 10.12 5.02 -1.26 -2.06 118.16 135.24 1xe0 n LYS 34 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1xe0 n LYS 34 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1xe0 n LYS 34 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xe0 n VAL 35 N 0.00 0.00 0.39 -0.18 0.31 -1.26 -4.92 118.33 112.67 1xe0 n VAL 35 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1xe0 n VAL 35 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 1xe0 n VAL 35 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xe0 n GLU 36 N 0.00 0.43 0.00 5.55 1.02 -1.26 -5.10 120.64 121.29 1xe0 n GLU 36 Ca 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 1xe0 n GLU 36 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1xe0 n GLU 36 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xe0 n HIS 42 N 0.54 0.00 -3.65 -0.32 -0.00 -1.26 -5.29 115.22 105.25 1xe0 n HIS 42 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.65 1xe0 n HIS 42 Cb 0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.16 1xe0 n HIS 42 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1xe0 s GLN 43 N -3.01 0.76 -0.12 -0.41 2.00 -0.69 -4.60 119.66 113.58 1xe0 s GLN 43 Ca 0.00 0.96 -0.13 0.00 -2.00 0.00 0.00 55.36 54.20 1xe0 s GLN 43 Cb 0.00 0.34 -0.05 0.00 0.80 0.00 0.00 33.01 34.10 1xe0 s GLN 43 CO 0.00 -0.10 0.28 -1.17 -0.50 0.00 0.00 175.29 173.80 1xe0 s LEU 44 N 0.56 4.31 -0.29 3.68 2.96 -0.97 -0.51 118.68 128.42 1xe0 s LEU 44 Ca -0.02 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1xe0 s LEU 44 Cb -0.05 -2.35 0.06 0.00 0.50 0.00 0.00 46.19 44.35 1xe0 s LEU 44 CO -0.02 0.20 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.62 1xe0 s SER 45 N -0.08 4.71 0.05 3.68 0.15 0.33 -0.73 113.70 121.81 1xe0 s SER 45 Ca 0.17 -1.46 -0.30 0.00 0.70 0.00 0.00 55.95 55.07 1xe0 s SER 45 Cb -0.13 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1xe0 s SER 45 CO 0.05 -0.26 1.03 -0.76 1.20 0.00 0.00 173.24 174.50 1xe0 s LEU 46 N 1.15 4.41 -0.12 3.45 1.43 -0.42 -1.12 118.68 127.45 1xe0 s LEU 46 Ca -0.04 1.79 -0.13 0.00 -1.03 0.00 0.00 54.13 54.71 1xe0 s LEU 46 Cb -0.20 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1xe0 s LEU 46 CO -0.04 -0.25 -0.27 0.54 0.23 0.00 0.00 176.35 176.56 1xe0 n ARG 47 N 3.55 0.41 -4.13 1.70 5.12 0.60 -1.02 116.66 122.89 1xe0 n ARG 47 Ca 0.05 0.16 -0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1xe0 n ARG 47 Cb 0.49 -1.21 -0.10 0.00 -1.16 0.00 0.00 32.46 30.48 1xe0 n ARG 47 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1xe0 s THR 48 N -2.66 0.62 -0.07 0.55 -4.23 -1.03 -0.29 115.64 108.54 1xe0 s THR 48 Ca -0.23 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1xe0 s THR 48 Cb 0.04 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.57 1xe0 s THR 48 CO 0.33 -0.72 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.83 1xe0 s VAL 49 N -2.89 1.49 0.01 2.29 1.01 -0.30 -1.21 120.40 120.80 1xe0 s VAL 49 Ca 0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1xe0 s VAL 49 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1xe0 s VAL 49 CO -0.03 0.43 0.16 -0.94 0.00 0.00 0.00 175.10 174.72 1xe0 s SER 50 N 0.41 0.00 0.02 3.32 1.04 -0.39 -0.92 113.70 117.19 1xe0 s SER 50 Ca -0.13 -0.20 -0.13 0.00 0.48 0.00 0.00 55.95 55.97 1xe0 s SER 50 Cb -0.15 0.23 -0.06 0.00 0.10 0.00 0.00 66.02 66.14 1xe0 s SER 50 CO 0.05 -0.40 0.40 -0.76 0.98 0.00 0.00 173.24 173.51 1xe0 s LEU 51 N -1.47 4.44 0.78 2.42 1.43 -0.30 -0.63 118.68 125.33 1xe0 s LEU 51 Ca -0.13 0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 1xe0 s LEU 51 Cb -0.06 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.52 1xe0 s LEU 51 CO 0.01 0.28 1.13 -0.83 0.23 0.00 0.00 176.35 177.18 1xe0 s GLY 52 N -1.28 1.61 0.41 -3.19 0.00 -0.60 -4.92 107.32 99.34 1xe0 s GLY 52 Ca 0.26 -0.46 0.09 0.00 0.00 0.00 0.00 44.72 44.61 1xe0 s GLY 52 CO 0.14 -0.02 2.01 0.00 0.00 0.00 0.00 173.10 175.23 1xe0 h ALA 53 N -0.94 1.64 -0.02 3.20 0.00 -1.97 -2.09 119.26 119.08 1xe0 h ALA 53 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xe0 h ALA 53 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xe0 h ALA 53 CO 0.64 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 179.04 1xe0 n SER 54 N -4.40 1.60 -4.77 0.00 3.41 -1.26 -4.97 113.62 103.22 1xe0 n SER 54 Ca 0.01 -1.54 -0.41 0.00 -0.26 0.00 0.00 58.87 56.67 1xe0 n SER 54 Cb 0.15 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 1xe0 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xe0 s ALA 55 N -1.99 3.52 0.33 7.33 0.00 -0.79 -4.84 121.76 125.31 1xe0 s ALA 55 Ca 0.37 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 1xe0 s ALA 55 Cb 0.21 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.66 1xe0 s ALA 55 CO 0.33 -0.90 1.51 1.17 0.00 0.00 0.00 175.76 177.87 1xe0 n LYS 56 N 0.53 2.58 -1.78 0.00 4.81 -1.26 -4.87 118.16 118.18 1xe0 n LYS 56 Ca 0.01 0.91 -0.29 0.00 -0.87 0.00 0.00 58.31 58.07 1xe0 n LYS 56 Cb 0.40 -2.64 -0.07 0.00 0.02 0.00 0.00 35.03 32.74 1xe0 n LYS 56 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xe0 n ASP 57 N 1.36 2.64 -3.98 3.14 2.03 -1.26 -4.67 116.55 115.81 1xe0 n ASP 57 Ca 0.06 -2.66 -0.09 0.00 0.52 0.00 0.00 54.79 52.62 1xe0 n ASP 57 Cb 0.37 -1.58 -0.05 0.00 -0.72 0.00 0.00 41.12 39.14 1xe0 n ASP 57 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xe0 s GLU 58 N 6.56 1.54 0.20 -0.67 -1.05 -1.26 -4.94 118.70 119.08 1xe0 s GLU 58 Ca 0.69 -1.23 -0.31 0.00 -0.15 0.00 0.00 54.97 53.97 1xe0 s GLU 58 Cb 0.02 0.47 -0.09 0.00 -0.44 0.00 0.00 34.13 34.09 1xe0 s GLU 58 CO 0.15 -0.64 1.44 -1.17 0.95 0.00 0.00 175.26 175.99 1xe0 s LEU 59 N -3.01 4.39 -0.09 1.83 2.96 -1.26 -4.39 118.68 119.11 1xe0 s LEU 59 Ca 0.21 2.56 0.02 0.00 -0.22 0.00 0.00 54.13 56.70 1xe0 s LEU 59 Cb -0.01 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 1xe0 s LEU 59 CO 0.08 -0.69 -0.13 -1.00 -1.32 0.00 0.00 176.35 173.29 1xe0 s HIS 60 N 0.43 2.77 -0.16 5.38 3.76 0.84 -3.83 115.29 124.48 1xe0 s HIS 60 Ca 0.62 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 1xe0 s HIS 60 Cb -0.41 -1.73 0.01 0.00 1.11 0.00 0.00 32.58 31.56 1xe0 s HIS 60 CO 0.38 0.01 -0.18 0.08 -0.85 0.00 0.00 174.74 174.18 1xe0 s VAL 61 N -0.23 2.35 -0.18 -0.90 1.01 -0.67 -0.74 120.40 121.03 1xe0 s VAL 61 Ca 0.01 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1xe0 s VAL 61 Cb -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1xe0 s VAL 61 CO 0.03 0.53 0.03 -0.69 0.00 0.00 0.00 175.10 174.99 1xe0 s VAL 62 N 0.94 4.38 0.21 2.92 1.01 -0.50 -0.66 120.40 128.70 1xe0 s VAL 62 Ca -0.03 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 61.88 1xe0 s VAL 62 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1xe0 s VAL 62 CO -0.03 0.45 -0.21 -1.83 0.00 0.00 0.00 175.10 173.48 1xe0 s GLU 63 N 0.55 1.49 -0.06 2.72 -1.05 -0.20 -0.29 118.70 121.86 1xe0 s GLU 63 Ca 0.01 -1.55 0.03 0.00 -0.15 0.00 0.00 54.97 53.31 1xe0 s GLU 63 Cb -0.13 -1.68 -0.02 0.00 -0.44 0.00 0.00 34.13 31.86 1xe0 s GLU 63 CO 0.02 0.35 -0.15 0.00 0.95 0.00 0.00 175.26 176.43 1xe0 s ALA 64 N -1.99 2.63 -0.12 -0.84 0.00 0.21 -0.57 121.76 121.09 1xe0 s ALA 64 Ca 0.22 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1xe0 s ALA 64 Cb -0.06 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1xe0 s ALA 64 CO 0.10 0.50 -0.18 -2.00 0.00 0.00 0.00 175.76 174.18 1xe0 s GLU 65 N -0.52 2.52 0.00 0.00 2.12 0.68 -0.76 118.70 122.73 1xe0 s GLU 65 Ca 0.07 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1xe0 s GLU 65 Cb -0.12 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.19 1xe0 s GLU 65 CO 0.01 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 1xe0 n GLY 66 N 4.14 1.25 3.72 -1.50 0.00 -0.52 -1.55 105.19 110.74 1xe0 n GLY 66 Ca -0.19 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 1xe0 n GLY 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xe0 s ILE 67 N -2.53 5.20 0.53 -0.61 -0.00 -1.26 0.08 121.20 122.61 1xe0 s ILE 67 Ca 0.00 0.91 -0.04 0.00 -0.00 0.00 0.00 60.65 61.53 1xe0 s ILE 67 Cb 0.00 -3.80 0.11 0.00 -0.00 0.00 0.00 42.46 38.77 1xe0 s ILE 67 CO 0.00 0.33 0.73 -0.46 -0.00 0.00 0.00 174.94 175.54 1xe0 n ASN 68 N 3.65 0.61 -0.19 4.36 6.94 0.64 -4.90 115.26 126.37 1xe0 n ASN 68 Ca -0.08 -1.60 0.12 0.00 -0.02 0.00 0.00 54.58 53.00 1xe0 n ASN 68 Cb 0.52 -0.50 0.44 0.00 -2.36 0.00 0.00 39.78 37.87 1xe0 n ASN 68 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1xe0 h TYR 69 N -0.85 0.63 0.00 -2.53 5.03 -1.99 0.13 116.97 117.39 1xe0 h TYR 69 Ca -0.24 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.09 1xe0 h TYR 69 Cb 0.79 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1xe0 h TYR 69 CO 0.00 0.26 0.00 0.39 -1.32 0.00 0.00 178.16 177.49 1xe0 n GLU 70 N -4.50 0.08 -1.03 1.82 4.71 -1.26 -4.91 120.64 115.55 1xe0 n GLU 70 Ca 0.14 0.18 -0.01 0.00 -0.01 0.00 0.00 57.16 57.46 1xe0 n GLU 70 Cb 0.44 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.36 1xe0 n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xe0 n GLY 71 N 0.26 0.50 3.81 0.62 0.00 0.03 -5.06 105.19 105.35 1xe0 n GLY 71 Ca 0.05 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1xe0 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xe0 s LYS 72 N -1.13 4.29 -0.04 1.61 2.20 -1.26 -4.77 119.74 120.65 1xe0 s LYS 72 Ca 0.00 0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 56.17 1xe0 s LYS 72 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1xe0 s LYS 72 CO 0.00 0.54 1.30 0.99 -0.36 0.00 0.00 175.35 177.82 1xe0 s THR 73 N -1.27 4.01 0.15 3.43 2.01 -1.26 -0.26 115.64 122.44 1xe0 s THR 73 Ca 0.36 1.35 0.06 0.00 0.31 0.00 0.00 61.69 63.76 1xe0 s THR 73 Cb -0.19 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1xe0 s THR 73 CO 0.22 -0.01 -0.13 0.27 -0.69 0.00 0.00 174.62 174.28 1xe0 s ILE 74 N 2.42 1.35 -0.15 1.82 -4.36 0.11 -4.96 121.20 117.42 1xe0 s ILE 74 Ca 0.60 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 59.05 1xe0 s ILE 74 Cb -0.28 -1.72 -0.01 0.00 1.25 0.00 0.00 42.46 41.70 1xe0 s ILE 74 CO 0.24 -0.56 -0.10 -0.54 0.24 0.00 0.00 174.94 174.21 1xe0 s LYS 75 N -3.20 3.42 0.02 0.37 1.02 -1.26 -1.44 119.74 118.67 1xe0 s LYS 75 Ca 0.14 -0.65 0.08 0.00 0.02 0.00 0.00 55.97 55.55 1xe0 s LYS 75 Cb -0.02 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1xe0 s LYS 75 CO 0.03 0.13 -0.23 0.96 -0.92 0.00 0.00 175.35 175.32 1xe0 s ILE 76 N 0.60 1.81 -0.29 2.17 -4.36 0.06 -4.97 121.20 116.22 1xe0 s ILE 76 Ca -0.06 -1.16 -0.24 0.00 -0.26 0.00 0.00 60.65 58.93 1xe0 s ILE 76 Cb -0.15 -1.54 -0.00 0.00 1.25 0.00 0.00 42.46 42.01 1xe0 s ILE 76 CO 0.03 0.34 0.80 0.00 0.24 0.00 0.00 174.94 176.35 1xe0 s ALA 77 N -0.71 3.56 -0.11 2.27 0.00 -1.26 -0.62 121.76 124.90 1xe0 s ALA 77 Ca 0.09 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.51 1xe0 s ALA 77 Cb -0.09 -3.30 -0.27 0.00 0.00 0.00 0.00 23.12 19.47 1xe0 s ALA 77 CO 0.01 -1.12 0.62 -0.07 0.00 0.00 0.00 175.76 175.19 1xe0 h LEU 78 N 9.38 0.29 -7.13 0.00 3.38 -0.98 -3.48 115.31 116.77 1xe0 h LEU 78 Ca -0.24 -0.85 -0.07 0.00 0.09 0.00 0.00 57.88 56.81 1xe0 h LEU 78 Cb 1.10 -0.09 -0.19 0.00 0.09 0.00 0.00 40.66 41.56 1xe0 h LEU 78 CO 0.88 1.45 0.07 0.00 0.09 0.00 0.00 178.44 180.93 1xe0 s ALA 79 N -2.41 -1.51 -0.21 1.53 0.00 -1.12 -5.03 121.76 113.01 1xe0 s ALA 79 Ca -0.20 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 1xe0 s ALA 79 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1xe0 s ALA 79 CO 0.74 -0.34 -0.11 -1.12 0.00 0.00 0.00 175.76 174.93 1xe0 s SER 80 N -1.20 3.83 0.10 0.00 0.01 -1.26 -1.40 113.70 113.77 1xe0 s SER 80 Ca -0.11 -0.54 0.07 0.00 1.31 0.00 0.00 55.95 56.68 1xe0 s SER 80 Cb -0.01 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 1xe0 s SER 80 CO 0.08 -0.02 -0.19 -0.76 0.41 0.00 0.00 173.24 172.77 1xe0 s LEU 81 N 1.39 2.31 -0.06 2.44 1.43 0.08 -4.95 118.68 121.33 1xe0 s LEU 81 Ca 0.05 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.43 1xe0 s LEU 81 Cb -0.14 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.34 1xe0 s LEU 81 CO -0.07 0.01 0.12 -0.75 0.23 0.00 0.00 176.35 175.88 1xe0 s LYS 82 N -1.99 0.07 0.28 1.70 2.20 -0.90 -0.11 119.74 120.99 1xe0 s LYS 82 Ca 0.05 0.32 0.02 0.00 -0.36 0.00 0.00 55.97 56.00 1xe0 s LYS 82 Cb -0.09 -0.17 0.61 0.00 -1.51 0.00 0.00 37.83 36.67 1xe0 s LYS 82 CO 0.04 -0.15 1.78 -1.35 -0.36 0.00 0.00 175.35 175.31 1xe0 h PRO 83 N 7.13 0.71 -0.15 4.03 0.11 -1.82 0.13 132.00 142.15 1xe0 h PRO 83 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xe0 h PRO 83 Cb 1.14 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1xe0 h PRO 83 CO 0.44 0.47 0.00 -1.13 -0.21 0.00 0.00 178.00 177.57 1xe0 n SER 84 N -4.79 1.67 0.01 -2.05 3.41 -1.26 -4.36 113.62 106.25 1xe0 n SER 84 Ca 0.20 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 1xe0 n SER 84 Cb 0.47 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1xe0 n SER 84 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xe0 n VAL 85 N 0.32 0.13 -3.04 -3.33 0.31 -0.90 -5.03 118.33 106.78 1xe0 n VAL 85 Ca 0.17 0.04 -0.05 0.00 -0.01 0.00 0.00 64.34 64.49 1xe0 n VAL 85 Cb 0.34 -1.21 -0.01 0.00 -0.91 0.00 0.00 33.84 32.04 1xe0 n VAL 85 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1xe0 s GLN 86 N -2.00 0.92 0.14 5.55 0.74 0.41 -4.98 119.66 120.44 1xe0 s GLN 86 Ca 0.00 -0.80 0.27 0.00 0.05 0.00 0.00 55.36 54.87 1xe0 s GLN 86 Cb 0.00 -0.16 0.96 0.00 1.10 0.00 0.00 33.01 34.91 1xe0 s GLN 86 CO 0.00 -1.26 1.81 -0.35 -0.55 0.00 0.00 175.29 174.94 1xe0 n PRO 87 N 3.65 0.16 -4.21 1.67 -0.04 -1.16 -2.11 135.00 132.97 1xe0 n PRO 87 Ca 0.15 0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.61 1xe0 n PRO 87 Cb 0.55 -1.70 -0.13 0.00 -0.04 0.00 0.00 33.50 32.18 1xe0 n PRO 87 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xe0 s THR 88 N -3.08 0.72 -0.07 0.52 2.01 -1.26 -1.15 115.64 113.33 1xe0 s THR 88 Ca 0.11 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1xe0 s THR 88 Cb 0.14 -0.68 0.01 0.00 0.01 0.00 0.00 72.50 71.97 1xe0 s THR 88 CO 0.55 -0.08 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 1xe0 s VAL 89 N -0.79 1.47 -0.26 3.82 1.01 -0.09 -5.00 120.40 120.56 1xe0 s VAL 89 Ca -0.02 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1xe0 s VAL 89 Cb -0.07 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1xe0 s VAL 89 CO 0.00 0.43 0.38 -0.55 0.00 0.00 0.00 175.10 175.36 1xe0 s SER 90 N 0.46 6.29 0.13 3.32 0.15 -1.26 -1.15 113.70 121.64 1xe0 s SER 90 Ca -0.14 0.34 0.25 0.00 0.70 0.00 0.00 55.95 57.10 1xe0 s SER 90 Cb -0.16 -2.22 0.52 0.00 -1.71 0.00 0.00 66.02 62.45 1xe0 s SER 90 CO 0.05 -0.17 1.47 0.18 1.20 0.00 0.00 173.24 175.98 1xe0 n LEU 91 N 5.17 0.68 -0.03 3.45 4.77 0.61 -4.98 117.00 126.68 1xe0 n LEU 91 Ca -0.08 0.31 -0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1xe0 n LEU 91 Cb 0.51 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1xe0 n LEU 91 CO 0.38 -0.07 -0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1xe0 n GLY 92 N 1.35 0.46 0.93 -0.72 0.00 -1.23 -3.91 105.19 102.07 1xe0 n GLY 92 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1xe0 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xe0 n GLY 93 N -2.88 0.61 3.51 -0.02 0.00 -0.54 -5.01 105.19 100.86 1xe0 n GLY 93 Ca -0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1xe0 n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xe0 s PHE 94 N -2.62 2.47 0.09 1.61 5.99 -0.19 -4.75 117.98 120.57 1xe0 s PHE 94 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 56.93 56.38 1xe0 s PHE 94 Cb 0.00 -4.46 -0.06 0.00 0.00 0.00 0.00 43.02 38.50 1xe0 s PHE 94 CO 0.00 -1.86 1.14 -1.21 -0.00 0.00 0.00 175.22 173.29 1xe0 s GLU 95 N 4.94 4.50 0.01 10.12 2.02 -1.26 -1.30 118.70 137.73 1xe0 s GLU 95 Ca 0.30 1.70 0.05 0.00 0.02 0.00 0.00 54.97 57.03 1xe0 s GLU 95 Cb -0.12 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 1xe0 s GLU 95 CO 0.13 -0.13 -0.14 0.42 0.02 0.00 0.00 175.26 175.56 1xe0 s ILE 96 N 0.68 1.12 0.00 -1.63 1.01 0.09 -5.00 121.20 117.48 1xe0 s ILE 96 Ca 0.55 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 1xe0 s ILE 96 Cb -0.28 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 1xe0 s ILE 96 CO 0.31 0.21 0.68 -0.89 0.00 0.00 0.00 174.94 175.25 1xe0 s THR 97 N -0.51 4.87 0.45 2.92 2.01 -1.26 -2.28 115.64 121.83 1xe0 s THR 97 Ca 0.04 1.44 -0.24 0.00 0.31 0.00 0.00 61.69 63.23 1xe0 s THR 97 Cb -0.06 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.35 1xe0 s THR 97 CO 0.00 0.36 1.28 -2.16 -0.69 0.00 0.00 174.62 173.42 1xe0 s PRO 98 N 0.07 3.75 0.19 4.92 0.04 -1.26 -4.36 135.00 138.36 1xe0 s PRO 98 Ca 0.35 2.08 -0.05 0.00 0.04 0.00 0.00 61.00 63.43 1xe0 s PRO 98 Cb -0.19 -2.58 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 1xe0 s PRO 98 CO 0.20 -0.65 0.43 -1.25 0.04 0.00 0.00 177.00 175.77 1xe0 s PRO 99 N -2.48 3.63 -0.09 0.56 0.04 -1.26 -5.09 135.00 130.30 1xe0 s PRO 99 Ca 0.61 -0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.49 1xe0 s PRO 99 Cb -0.36 -2.78 0.02 0.00 0.04 0.00 0.00 34.50 31.42 1xe0 s PRO 99 CO 0.45 0.39 0.26 0.54 0.04 0.00 0.00 177.00 178.69 1xe0 s VAL 100 N -1.79 0.01 -0.15 -0.36 0.11 -0.87 -4.55 120.40 112.80 1xe0 s VAL 100 Ca 0.42 -0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.37 1xe0 s VAL 100 Cb -0.12 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1xe0 s VAL 100 CO 0.26 -0.03 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.36 1xe0 s ILE 101 N -0.00 4.18 -0.16 7.04 1.01 -0.59 -0.64 121.20 132.04 1xe0 s ILE 101 Ca -0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 1xe0 s ILE 101 Cb -0.02 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1xe0 s ILE 101 CO 0.01 0.51 0.09 -0.76 0.00 0.00 0.00 174.94 174.79 1xe0 s LEU 102 N 0.13 4.05 -0.03 2.97 1.43 -0.01 -0.23 118.68 126.99 1xe0 s LEU 102 Ca 0.01 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1xe0 s LEU 102 Cb -0.13 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1xe0 s LEU 102 CO 0.02 0.27 0.10 0.00 0.23 0.00 0.00 176.35 176.97 1xe0 s ARG 103 N -0.22 0.13 -0.63 1.70 1.70 0.27 -0.75 118.95 121.16 1xe0 s ARG 103 Ca 0.09 0.10 -0.28 0.00 -0.47 0.00 0.00 55.73 55.17 1xe0 s ARG 103 Cb -0.12 0.06 0.03 0.00 -0.57 0.00 0.00 34.95 34.36 1xe0 s ARG 103 CO 0.01 -0.02 1.21 -1.17 -1.08 0.00 0.00 175.30 174.25 1xe0 s LEU 104 N -0.04 3.39 0.04 -1.89 2.96 0.16 -1.03 118.68 122.27 1xe0 s LEU 104 Ca -0.01 -0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.67 1xe0 s LEU 104 Cb -0.01 -2.96 -0.35 0.00 0.50 0.00 0.00 46.19 43.37 1xe0 s LEU 104 CO 0.00 -1.58 1.01 0.50 -1.32 0.00 0.00 176.35 174.96 1xe0 h LYS 105 N 9.68 0.51 -3.47 1.98 3.64 -1.21 -3.48 116.57 124.22 1xe0 h LYS 105 Ca -0.26 -0.87 -0.06 0.00 -1.27 0.00 0.00 60.65 58.20 1xe0 h LYS 105 Cb 1.06 0.32 -0.13 0.00 -0.41 0.00 0.00 32.23 33.07 1xe0 h LYS 105 CO 1.21 1.42 -0.11 -1.54 -2.27 0.00 0.00 179.45 178.15 1xe0 s SER 106 N -7.53 -0.17 0.00 4.20 1.04 -1.16 -4.96 113.70 105.12 1xe0 s SER 106 Ca -0.08 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1xe0 s SER 106 Cb 0.04 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1xe0 s SER 106 CO 0.94 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1xe0 n GLY 107 N -0.22 2.32 0.34 7.32 0.00 -1.25 -1.68 105.19 112.02 1xe0 n GLY 107 Ca -0.15 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 1xe0 n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xe0 h SER 108 N 0.00 0.91 -2.73 1.61 4.64 -1.88 -3.48 113.55 112.62 1xe0 h SER 108 Ca 0.00 -0.07 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 1xe0 h SER 108 Cb 0.00 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1xe0 h SER 108 CO 0.00 0.73 -0.06 0.61 -0.87 0.00 0.00 176.83 177.24 1xe0 n GLY 109 N -1.22 -1.63 3.83 -0.77 0.00 -1.26 -3.69 105.19 100.45 1xe0 n GLY 109 Ca 0.08 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 1xe0 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xe0 s PRO 110 N -0.37 3.28 0.02 1.61 0.04 -1.26 -3.94 135.00 134.38 1xe0 s PRO 110 Ca 0.00 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.05 1xe0 s PRO 110 Cb 0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1xe0 s PRO 110 CO 0.00 -0.83 -0.12 0.08 0.04 0.00 0.00 177.00 176.17 1xe0 s VAL 111 N -2.90 0.97 0.13 -0.36 1.01 0.10 -1.56 120.40 117.79 1xe0 s VAL 111 Ca 0.59 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1xe0 s VAL 111 Cb -0.13 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1xe0 s VAL 111 CO 0.48 0.09 -0.21 -0.31 0.00 0.00 0.00 175.10 175.16 1xe0 s TYR 112 N -0.62 2.46 -0.05 5.22 1.51 0.20 -0.56 117.35 125.51 1xe0 s TYR 112 Ca 0.02 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1xe0 s TYR 112 Cb -0.06 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1xe0 s TYR 112 CO 0.00 0.39 -0.13 0.08 -1.11 0.00 0.00 175.55 174.78 1xe0 s VAL 113 N -1.18 1.14 0.21 0.71 1.01 -0.39 -1.26 120.40 120.64 1xe0 s VAL 113 Ca 0.17 -0.52 0.11 0.00 0.00 0.00 0.00 61.98 61.75 1xe0 s VAL 113 Cb -0.10 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1xe0 s VAL 113 CO 0.09 0.35 -0.22 -0.94 0.00 0.00 0.00 175.10 174.38 1xe0 s SER 114 N 0.39 3.38 0.00 3.32 1.04 -0.35 -1.43 113.70 120.06 1xe0 s SER 114 Ca -0.09 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1xe0 s SER 114 Cb -0.13 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1xe0 s SER 114 CO 0.03 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1xe0 n GLY 115 N 0.06 -0.61 3.24 7.32 0.00 -0.41 -0.29 105.19 114.51 1xe0 n GLY 115 Ca -0.11 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 1xe0 n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xe0 s GLN 116 N -0.54 1.12 -0.26 1.61 -0.21 -0.28 -1.27 119.66 119.84 1xe0 s GLN 116 Ca 0.00 -1.02 -0.05 0.00 0.02 0.00 0.00 55.36 54.31 1xe0 s GLN 116 Cb 0.00 -1.28 0.00 0.00 1.00 0.00 0.00 33.01 32.73 1xe0 s GLN 116 CO 0.00 0.31 0.01 -1.58 -2.12 0.00 0.00 175.29 171.91 1xe0 s HIS 117 N -1.04 3.06 -0.15 0.91 5.65 0.18 -0.51 115.29 123.39 1xe0 s HIS 117 Ca 0.05 -0.98 -0.05 0.00 0.25 0.00 0.00 55.06 54.33 1xe0 s HIS 117 Cb -0.09 -2.17 -0.04 0.00 -1.18 0.00 0.00 32.58 29.10 1xe0 s HIS 117 CO 0.03 -0.56 0.03 -0.51 -0.65 0.00 0.00 174.74 173.08 1xe0 s LEU 118 N 1.48 3.68 -0.03 8.88 1.43 0.34 -1.46 118.68 133.00 1xe0 s LEU 118 Ca 0.04 0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1xe0 s LEU 118 Cb -0.16 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1xe0 s LEU 118 CO -0.00 0.24 -0.16 -0.69 0.23 0.00 0.00 176.35 175.96 1xe0 s VAL 119 N -0.03 1.31 -0.28 -1.59 1.01 -0.39 -1.71 120.40 118.73 1xe0 s VAL 119 Ca 0.05 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1xe0 s VAL 119 Cb -0.12 -1.12 0.09 0.00 0.00 0.00 0.00 36.38 35.23 1xe0 s VAL 119 CO 0.01 0.38 0.12 0.00 0.00 0.00 0.00 175.10 175.61 1xe0 s ALA 120 N -0.13 0.68 0.00 5.51 0.00 -1.26 0.36 121.76 126.92 1xe0 s ALA 120 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1xe0 s ALA 120 Cb -0.09 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1xe0 s ALA 120 CO 0.01 -1.59 0.00 1.47 0.00 0.00 0.00 175.76 175.65