#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugw s LYS 2 N 0.00 3.91 0.45 1.61 2.20 0.28 -4.75 119.74 123.44 1ugw s LYS 2 Ca 0.00 0.24 -0.22 0.00 -0.36 0.00 0.00 55.97 55.63 1ugw s LYS 2 Cb 0.00 -3.72 -0.08 0.00 -1.51 0.00 0.00 37.83 32.52 1ugw s LYS 2 CO 0.00 -0.52 1.10 0.00 -0.36 0.00 0.00 175.35 175.57 1ugw s ALA 3 N 2.49 2.97 0.05 3.13 0.00 -1.26 -1.90 121.76 127.24 1ugw s ALA 3 Ca 0.23 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 1ugw s ALA 3 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1ugw s ALA 3 CO 0.11 -0.44 -0.03 -0.59 0.00 0.00 0.00 175.76 174.81 1ugw s PHE 4 N -1.69 0.54 -0.28 0.00 -0.71 0.09 -4.95 117.98 110.98 1ugw s PHE 4 Ca 0.63 -1.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.50 1ugw s PHE 4 Cb -0.23 -0.39 0.17 0.00 -1.21 0.00 0.00 43.02 41.35 1ugw s PHE 4 CO 0.29 -0.36 0.48 0.34 -1.34 0.00 0.00 175.22 174.63 1ugw s ASP 5 N -2.88 -0.48 0.27 1.98 3.68 -1.26 -1.27 116.67 116.70 1ugw s ASP 5 Ca 0.07 0.05 0.11 0.00 2.13 0.00 0.00 52.55 54.90 1ugw s ASP 5 Cb 0.07 1.53 0.33 0.00 -1.45 0.00 0.00 42.92 43.40 1ugw s ASP 5 CO -0.09 -0.32 1.59 0.44 0.13 0.00 0.00 175.17 176.92 1ugw h ASP 6 N 8.09 0.00 -3.42 -0.34 3.32 -1.68 -3.49 116.42 118.90 1ugw h ASP 6 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1ugw h ASP 6 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1ugw h ASP 6 CO 0.23 0.63 0.00 0.61 -1.72 0.00 0.00 179.24 178.99 1ugw n GLY 7 N 0.36 -1.81 3.73 2.75 0.00 -1.25 -4.96 105.19 104.01 1ugw n GLY 7 Ca -0.01 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 1ugw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ugw s ALA 8 N -1.66 3.43 0.00 4.61 0.00 -1.26 -3.93 121.76 122.95 1ugw s ALA 8 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1ugw s ALA 8 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1ugw s ALA 8 CO 0.00 0.65 0.00 1.19 0.00 0.00 0.00 175.76 177.60 1ugw n PHE 9 N 1.49 0.00 0.52 0.00 3.01 0.65 -5.00 117.46 118.13 1ugw n PHE 9 Ca -0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.42 1ugw n PHE 9 Cb 0.53 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.02 1ugw n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ugw n THR 10 N 0.00 0.20 -2.03 4.37 -1.04 -0.33 -4.84 114.28 110.62 1ugw n THR 10 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1ugw n THR 10 Cb 0.00 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1ugw n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ugw n GLY 11 N 1.35 -1.59 3.20 3.41 0.00 -1.17 -4.92 105.19 105.46 1ugw n GLY 11 Ca 0.02 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1ugw n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugw s ILE 12 N -2.58 1.96 -0.19 -0.61 -1.09 -1.26 -1.21 121.20 116.21 1ugw s ILE 12 Ca 0.00 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 1ugw s ILE 12 Cb 0.00 -1.70 -0.12 0.00 -1.58 0.00 0.00 42.46 39.06 1ugw s ILE 12 CO 0.00 0.54 -0.18 0.54 -1.23 0.00 0.00 174.94 174.61 1ugw n ARG 13 N 3.54 0.47 -3.69 2.79 1.74 -0.33 -4.79 116.66 116.39 1ugw n ARG 13 Ca -0.19 0.12 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 1ugw n ARG 13 Cb 0.53 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 30.52 1ugw n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ugw s GLU 14 N -2.38 0.68 -0.12 5.56 2.12 -0.79 -1.47 118.70 122.30 1ugw s GLU 14 Ca -0.26 0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.43 1ugw s GLU 14 Cb 0.07 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.80 1ugw s GLU 14 CO 0.43 -0.15 -0.17 0.42 -0.54 0.00 0.00 175.26 175.25 1ugw s ILE 15 N -0.48 1.66 -0.25 -3.70 1.01 -0.20 -0.08 121.20 119.16 1ugw s ILE 15 Ca -0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1ugw s ILE 15 Cb -0.03 -1.50 0.04 0.00 0.01 0.00 0.00 42.46 40.97 1ugw s ILE 15 CO 0.03 0.47 -0.07 0.20 0.00 0.00 0.00 174.94 175.57 1ugw s ASN 16 N 1.02 4.33 0.20 3.58 0.01 0.34 -0.19 114.94 124.23 1ugw s ASN 16 Ca -0.05 -1.03 0.03 0.00 -0.71 0.00 0.00 52.86 51.10 1ugw s ASN 16 Cb -0.15 -1.63 -0.05 0.00 0.41 0.00 0.00 41.25 39.83 1ugw s ASN 16 CO -0.03 -0.15 -0.00 -1.48 -1.51 0.00 0.00 177.10 173.92 1ugw s LEU 17 N 1.26 2.15 0.07 0.60 0.05 -0.75 -0.52 118.68 121.55 1ugw s LEU 17 Ca -0.02 -1.19 0.05 0.00 0.05 0.00 0.00 54.13 53.02 1ugw s LEU 17 Cb -0.18 -0.15 -0.03 0.00 -2.05 0.00 0.00 46.19 43.78 1ugw s LEU 17 CO -0.05 -0.54 -0.14 -0.94 -0.55 0.00 0.00 176.35 174.14 1ugw s SER 18 N -3.23 1.61 0.20 1.48 1.04 -0.73 -0.21 113.70 113.87 1ugw s SER 18 Ca 0.26 -0.61 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 1ugw s SER 18 Cb 0.06 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 1ugw s SER 18 CO 0.06 -0.08 0.40 -0.72 0.98 0.00 0.00 173.24 173.88 1ugw s TYR 19 N -1.28 0.30 -0.12 5.02 1.13 -0.55 0.31 117.35 122.16 1ugw s TYR 19 Ca -0.03 -0.65 -0.00 0.00 -1.41 0.00 0.00 57.07 54.98 1ugw s TYR 19 Cb -0.10 0.12 0.02 0.00 -1.10 0.00 0.00 41.96 40.90 1ugw s TYR 19 CO 0.02 -0.86 -0.09 1.21 -2.51 0.00 0.00 175.55 173.31 1ugw s ASN 20 N -2.97 2.28 0.12 -0.18 3.84 -0.75 0.14 114.94 117.42 1ugw s ASN 20 Ca 0.18 -0.35 0.10 0.00 0.21 0.00 0.00 52.86 53.00 1ugw s ASN 20 Cb 0.01 -0.92 0.50 0.00 -0.55 0.00 0.00 41.25 40.29 1ugw s ASN 20 CO 0.03 -0.10 1.30 2.29 -2.79 0.00 0.00 177.10 177.84 1ugw n LYS 21 N 4.85 0.06 0.00 0.43 2.85 -1.26 -1.77 118.16 123.32 1ugw n LYS 21 Ca -0.14 0.52 0.07 0.00 -1.05 0.00 0.00 58.31 57.71 1ugw n LYS 21 Cb 0.50 -1.68 0.02 0.00 -0.65 0.00 0.00 35.03 33.23 1ugw n LYS 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ugw n GLU 22 N -1.80 1.47 0.00 -1.58 -0.58 -1.26 -4.05 120.64 112.84 1ugw n GLU 22 Ca -0.00 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 1ugw n GLU 22 Cb 0.04 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1ugw n GLU 22 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ugw n THR 23 N 0.24 0.00 -3.39 2.62 -2.24 -0.73 -4.99 114.28 105.79 1ugw n THR 23 Ca 0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1ugw n THR 23 Cb 0.31 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1ugw n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ugw n ALA 24 N -2.17 -0.33 -1.76 6.98 0.00 -1.14 -4.48 120.51 117.61 1ugw n ALA 24 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 1ugw n ALA 24 Cb 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 1ugw n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ugw s ILE 25 N -2.60 3.46 0.00 0.00 -1.09 -1.06 -1.81 121.20 118.11 1ugw s ILE 25 Ca 0.03 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 1ugw s ILE 25 Cb -0.00 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1ugw s ILE 25 CO 0.01 0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 1ugw n GLY 26 N 1.02 0.45 3.80 6.18 0.00 0.15 -1.59 105.19 115.19 1ugw n GLY 26 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ugw n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ugw s ASP 27 N 0.10 5.78 -0.16 1.61 1.01 -1.23 -4.31 116.67 119.47 1ugw s ASP 27 Ca 0.00 1.87 -0.07 0.00 0.71 0.00 0.00 52.55 55.06 1ugw s ASP 27 Cb 0.00 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.46 1ugw s ASP 27 CO 0.00 -1.17 0.36 0.12 0.21 0.00 0.00 175.17 174.69 1ugw s PHE 28 N -2.34 -0.59 -0.08 4.23 5.36 -0.23 -1.77 117.98 122.56 1ugw s PHE 28 Ca 0.65 1.23 -0.09 0.00 -0.96 0.00 0.00 56.93 57.76 1ugw s PHE 28 Cb -0.17 0.19 0.02 0.00 -0.34 0.00 0.00 43.02 42.72 1ugw s PHE 28 CO 0.35 -0.38 0.25 -1.14 -1.46 0.00 0.00 175.22 172.84 1ugw s GLN 29 N 2.01 0.35 -0.03 10.12 -0.44 0.32 -1.58 119.66 130.41 1ugw s GLN 29 Ca -0.05 0.23 0.04 0.00 -2.50 0.00 0.00 55.36 53.09 1ugw s GLN 29 Cb -0.11 0.16 -0.01 0.00 -1.64 0.00 0.00 33.01 31.42 1ugw s GLN 29 CO -0.11 -0.06 -0.15 0.08 0.50 0.00 0.00 175.29 175.55 1ugw s VAL 30 N -0.14 1.23 -0.40 1.34 1.01 -1.26 -0.50 120.40 121.67 1ugw s VAL 30 Ca -0.03 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1ugw s VAL 30 Cb -0.03 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1ugw s VAL 30 CO 0.01 0.35 0.28 -0.69 0.00 0.00 0.00 175.10 175.05 1ugw s VAL 31 N -0.08 5.04 0.57 2.92 1.01 0.89 -0.80 120.40 129.94 1ugw s VAL 31 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1ugw s VAL 31 Cb -0.09 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ugw s VAL 31 CO 0.01 -0.31 0.82 -0.31 0.00 0.00 0.00 175.10 175.31 1ugw s TYR 32 N 1.63 2.93 -0.15 5.22 1.51 0.60 -1.18 117.35 127.92 1ugw s TYR 32 Ca 0.04 0.14 -0.06 0.00 -1.01 0.00 0.00 57.07 56.18 1ugw s TYR 32 Cb -0.19 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 1ugw s TYR 32 CO 0.09 -0.92 0.06 0.34 -1.11 0.00 0.00 175.55 174.00 1ugw s ASP 33 N -4.41 5.64 -0.47 2.29 2.15 -0.35 0.07 116.67 121.59 1ugw s ASP 33 Ca 0.57 0.15 0.03 0.00 0.43 0.00 0.00 52.55 53.72 1ugw s ASP 33 Cb -0.10 -1.87 0.13 0.00 -0.30 0.00 0.00 42.92 40.77 1ugw s ASP 33 CO 0.40 0.25 0.24 -0.22 -0.17 0.00 0.00 175.17 175.67 1ugw s LEU 34 N -0.11 3.44 -1.37 -1.34 2.96 0.11 -1.18 118.68 121.19 1ugw s LEU 34 Ca 0.07 -2.74 -0.08 0.00 -0.22 0.00 0.00 54.13 51.16 1ugw s LEU 34 Cb -0.12 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.29 1ugw s LEU 34 CO 0.01 -0.26 1.06 0.59 -1.32 0.00 0.00 176.35 176.43 1ugw n ASN 35 N 3.42 -4.73 0.00 3.68 5.03 -1.26 -2.57 115.26 118.84 1ugw n ASN 35 Ca 0.07 -0.64 0.00 0.00 0.87 0.00 0.00 54.58 54.88 1ugw n ASN 35 Cb 0.34 -4.69 0.00 0.00 -1.02 0.00 0.00 39.78 34.41 1ugw n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ugw n GLY 36 N -1.74 0.67 3.30 7.41 0.00 -1.26 -5.06 105.19 108.52 1ugw n GLY 36 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1ugw n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugw s SER 37 N -2.59 2.93 0.31 1.61 0.01 -1.06 -5.11 113.70 109.80 1ugw s SER 37 Ca 0.00 -0.50 -0.29 0.00 1.31 0.00 0.00 55.95 56.47 1ugw s SER 37 Cb 0.00 -0.30 -0.10 0.00 0.21 0.00 0.00 66.02 65.83 1ugw s SER 37 CO 0.00 0.27 1.40 -2.84 0.41 0.00 0.00 173.24 172.48 1ugw s PRO 38 N -0.88 4.27 -0.19 12.44 0.02 -1.26 0.06 135.00 149.47 1ugw s PRO 38 Ca 0.10 2.32 -0.00 0.00 0.02 0.00 0.00 61.00 63.44 1ugw s PRO 38 Cb -0.10 -3.06 0.05 0.00 0.02 0.00 0.00 34.50 31.41 1ugw s PRO 38 CO 0.00 -0.35 -0.05 -0.47 -0.33 0.00 0.00 177.00 175.81 1ugw s TYR 39 N -0.70 1.91 -0.36 6.54 6.14 0.11 -4.81 117.35 126.17 1ugw s TYR 39 Ca 0.54 -1.30 -0.29 0.00 0.64 0.00 0.00 57.07 56.65 1ugw s TYR 39 Cb -0.42 -1.40 0.01 0.00 0.42 0.00 0.00 41.96 40.57 1ugw s TYR 39 CO 0.51 -0.67 1.25 0.08 0.64 0.00 0.00 175.55 177.35 1ugw s VAL 40 N 1.56 4.18 0.74 3.14 1.01 -1.26 -0.29 120.40 129.49 1ugw s VAL 40 Ca -0.01 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.15 1ugw s VAL 40 Cb -0.16 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 31.95 1ugw s VAL 40 CO -0.07 -0.63 1.08 -0.83 0.00 0.00 0.00 175.10 174.64 1ugw s GLY 41 N 2.71 1.65 0.46 4.51 0.00 0.02 -4.97 107.32 111.69 1ugw s GLY 41 Ca 0.53 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.96 1ugw s GLY 41 CO 0.25 0.31 1.36 1.62 0.00 0.00 0.00 173.10 176.64 1ugw s GLN 42 N -5.10 3.67 -0.28 2.90 0.74 -1.26 -4.65 119.66 115.68 1ugw s GLN 42 Ca 0.59 2.27 -0.23 0.00 0.05 0.00 0.00 55.36 58.04 1ugw s GLN 42 Cb -0.14 -2.59 -0.01 0.00 1.10 0.00 0.00 33.01 31.37 1ugw s GLN 42 CO 0.55 -0.78 0.76 1.21 -0.55 0.00 0.00 175.29 176.48 1ugw s ASN 43 N -0.71 6.69 -0.47 6.67 3.04 -1.26 -4.52 114.94 124.36 1ugw s ASN 43 Ca 0.62 0.76 -0.17 0.00 0.04 0.00 0.00 52.86 54.11 1ugw s ASN 43 Cb -0.40 -2.40 0.05 0.00 -1.54 0.00 0.00 41.25 36.96 1ugw s ASN 43 CO 0.51 -0.53 0.50 -1.00 -3.04 0.00 0.00 177.10 173.53 1ugw s HIS 44 N 2.82 3.15 0.06 0.43 3.76 -0.61 -5.00 115.29 119.90 1ugw s HIS 44 Ca 0.31 -0.64 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 1ugw s HIS 44 Cb -0.15 -3.24 -0.04 0.00 1.11 0.00 0.00 32.58 30.26 1ugw s HIS 44 CO 0.10 -0.87 0.17 0.14 -0.85 0.00 0.00 174.74 173.43 1ugw s VAL 45 N 2.15 5.12 0.74 -0.90 -7.23 -1.26 -1.06 120.40 117.96 1ugw s VAL 45 Ca 0.10 -0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 59.66 1ugw s VAL 45 Cb -0.20 -3.48 0.04 0.00 0.56 0.00 0.00 36.38 33.29 1ugw s VAL 45 CO 0.10 0.15 1.10 -0.55 -0.31 0.00 0.00 175.10 175.59 1ugw s SER 46 N -2.44 4.64 0.46 4.85 0.15 -1.26 -4.84 113.70 115.25 1ugw s SER 46 Ca 0.33 1.92 0.29 0.00 0.70 0.00 0.00 55.95 59.19 1ugw s SER 46 Cb -0.13 -2.54 1.03 0.00 -1.71 0.00 0.00 66.02 62.68 1ugw s SER 46 CO 0.26 -1.94 1.84 -0.26 1.20 0.00 0.00 173.24 174.33 1ugw h PHE 47 N -0.72 0.00 -0.19 3.44 0.04 -1.16 -3.46 116.94 114.90 1ugw h PHE 47 Ca -0.45 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 59.64 1ugw h PHE 47 Cb 1.24 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.27 1ugw h PHE 47 CO 0.56 0.00 -0.48 0.96 -0.60 0.00 0.00 178.31 178.75 1ugw s ILE 48 N -3.47 1.09 0.12 -0.55 -4.36 -1.26 -5.04 121.20 107.72 1ugw s ILE 48 Ca 0.04 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1ugw s ILE 48 Cb 0.08 -2.03 -0.00 0.00 1.25 0.00 0.00 42.46 41.76 1ugw s ILE 48 CO 0.55 0.00 0.00 0.35 0.24 0.00 0.00 174.94 176.09 1ugw n THR 49 N -1.36 0.00 -0.19 8.37 -2.24 -1.26 -4.90 114.28 112.69 1ugw n THR 49 Ca -0.19 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1ugw n THR 49 Cb 0.67 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1ugw n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugw n GLY 50 N 3.31 0.89 3.94 3.38 0.00 -1.26 -5.09 105.19 110.35 1ugw n GLY 50 Ca -0.05 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1ugw n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugw s PHE 51 N -2.00 3.50 -0.28 1.61 0.08 -1.26 -4.86 117.98 114.77 1ugw s PHE 51 Ca 0.00 0.39 -0.12 0.00 0.12 0.00 0.00 56.93 57.31 1ugw s PHE 51 Cb 0.00 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.49 1ugw s PHE 51 CO 0.00 0.15 0.24 0.99 -0.10 0.00 0.00 175.22 176.50 1ugw s THR 52 N -2.25 5.27 0.48 0.64 2.01 0.12 -4.82 115.64 117.09 1ugw s THR 52 Ca 0.40 0.27 -0.21 0.00 0.31 0.00 0.00 61.69 62.47 1ugw s THR 52 Cb -0.10 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1ugw s THR 52 CO 0.35 0.22 1.06 -2.84 -0.69 0.00 0.00 174.62 172.71 1ugw s PRO 53 N 1.84 3.80 -0.05 4.92 0.02 -1.26 -1.48 135.00 142.79 1ugw s PRO 53 Ca 0.09 1.44 -0.03 0.00 0.02 0.00 0.00 61.00 62.52 1ugw s PRO 53 Cb -0.16 -2.17 0.03 0.00 0.02 0.00 0.00 34.50 32.21 1ugw s PRO 53 CO 0.11 -0.44 0.12 0.08 -0.33 0.00 0.00 177.00 176.54 1ugw s VAL 54 N -1.88 -0.03 -0.19 3.83 1.01 0.71 -4.96 120.40 118.89 1ugw s VAL 54 Ca 0.66 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 1ugw s VAL 54 Cb -0.19 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1ugw s VAL 54 CO 0.23 0.04 -0.14 -0.75 0.00 0.00 0.00 175.10 174.48 1ugw s LYS 55 N 0.70 3.14 -0.47 2.72 2.20 -1.26 -1.81 119.74 124.97 1ugw s LYS 55 Ca -0.05 -0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 54.73 1ugw s LYS 55 Cb -0.07 -2.73 0.12 0.00 -1.51 0.00 0.00 37.83 33.64 1ugw s LYS 55 CO -0.03 -0.19 0.32 0.42 -0.36 0.00 0.00 175.35 175.51 1ugw s ILE 56 N 1.33 3.98 -0.37 5.43 1.01 0.74 -4.99 121.20 128.33 1ugw s ILE 56 Ca 0.05 -1.91 -0.16 0.00 0.00 0.00 0.00 60.65 58.62 1ugw s ILE 56 Cb -0.14 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 1ugw s ILE 56 CO -0.09 -0.76 0.41 -0.44 0.00 0.00 0.00 174.94 174.06 1ugw s SER 57 N 2.39 6.21 0.23 3.58 0.01 -1.26 -1.03 113.70 123.82 1ugw s SER 57 Ca 0.07 -0.33 -0.11 0.00 1.31 0.00 0.00 55.95 56.89 1ugw s SER 57 Cb -0.25 -2.22 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 1ugw s SER 57 CO -0.02 -0.44 0.58 -0.76 0.41 0.00 0.00 173.24 173.01 1ugw s LEU 58 N 2.12 4.18 -1.38 2.44 1.43 -0.54 -4.98 118.68 121.95 1ugw s LEU 58 Ca 0.13 0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 54.12 1ugw s LEU 58 Cb -0.16 -3.68 0.10 0.00 0.03 0.00 0.00 46.19 42.48 1ugw s LEU 58 CO 0.13 -0.06 2.16 -0.67 0.23 0.00 0.00 176.35 178.13 1ugw n ASP 59 N -0.03 5.45 -4.77 2.29 4.64 -1.26 -4.87 116.55 118.01 1ugw n ASP 59 Ca 0.00 -2.98 -0.41 0.00 -1.38 0.00 0.00 54.79 50.02 1ugw n ASP 59 Cb 0.52 -1.53 -0.01 0.00 -1.04 0.00 0.00 41.12 39.06 1ugw n ASP 59 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1ugw s PHE 60 N 1.22 2.87 -2.60 -0.67 5.36 -1.26 -0.87 117.98 122.02 1ugw s PHE 60 Ca 0.47 1.32 0.23 0.00 -0.96 0.00 0.00 56.93 57.99 1ugw s PHE 60 Cb 0.13 -3.81 0.42 0.00 -0.34 0.00 0.00 43.02 39.41 1ugw s PHE 60 CO -0.04 -2.30 1.39 -0.35 -1.46 0.00 0.00 175.22 172.46 1ugw n PRO 61 N 0.67 2.37 0.20 10.12 -0.04 -1.26 -4.85 135.00 142.21 1ugw n PRO 61 Ca 0.00 -2.05 0.04 0.00 -0.04 0.00 0.00 63.50 61.46 1ugw n PRO 61 Cb 0.41 -1.49 0.41 0.00 -0.04 0.00 0.00 33.50 32.79 1ugw n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ugw h SER 62 N 4.28 0.00 -3.36 3.54 4.64 -1.77 -3.42 113.55 117.47 1ugw h SER 62 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1ugw h SER 62 Cb 0.93 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.82 1ugw h SER 62 CO 0.00 0.33 -0.66 -0.70 -0.87 0.00 0.00 176.83 174.93 1ugw s GLU 63 N -4.12 3.45 0.06 4.77 2.12 -0.05 -4.95 118.70 119.98 1ugw s GLU 63 Ca -0.02 -0.51 -0.13 0.00 0.36 0.00 0.00 54.97 54.66 1ugw s GLU 63 Cb 0.14 -2.85 0.02 0.00 0.26 0.00 0.00 34.13 31.70 1ugw s GLU 63 CO 0.70 0.37 0.30 1.52 -0.54 0.00 0.00 175.26 177.60 1ugw s TYR 64 N 0.02 -0.08 0.09 5.30 -0.85 -1.26 -4.31 117.35 116.26 1ugw s TYR 64 Ca 0.01 -0.13 -0.31 0.00 -0.52 0.00 0.00 57.07 56.11 1ugw s TYR 64 Cb -0.13 0.09 -0.07 0.00 0.38 0.00 0.00 41.96 42.23 1ugw s TYR 64 CO 0.03 -0.54 1.40 0.42 -1.52 0.00 0.00 175.55 175.34 1ugw s ILE 65 N -2.93 3.41 -0.14 -3.49 1.01 -1.26 -2.67 121.20 115.12 1ugw s ILE 65 Ca -0.02 0.97 0.11 0.00 0.00 0.00 0.00 60.65 61.71 1ugw s ILE 65 Cb 0.00 -3.62 -0.16 0.00 0.01 0.00 0.00 42.46 38.70 1ugw s ILE 65 CO -0.06 0.06 0.29 0.23 0.00 0.00 0.00 174.94 175.46 1ugw n MET 66 N 4.33 1.12 -3.64 2.79 2.81 0.71 -4.73 117.12 120.51 1ugw n MET 66 Ca 0.12 -0.08 -0.12 0.00 -1.81 0.00 0.00 57.70 55.81 1ugw n MET 66 Cb 0.43 -1.20 -0.07 0.00 -0.71 0.00 0.00 33.22 31.67 1ugw n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ugw s GLU 67 N -2.57 0.78 -0.09 0.03 2.12 -0.84 -0.67 118.70 117.45 1ugw s GLU 67 Ca -0.02 1.03 0.04 0.00 0.36 0.00 0.00 54.97 56.37 1ugw s GLU 67 Cb 0.07 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.79 1ugw s GLU 67 CO 0.45 -0.11 -0.21 0.08 -0.54 0.00 0.00 175.26 174.93 1ugw s VAL 68 N 0.70 1.84 0.18 3.70 1.01 -0.89 -1.00 120.40 125.95 1ugw s VAL 68 Ca -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1ugw s VAL 68 Cb -0.05 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1ugw s VAL 68 CO -0.04 0.51 0.11 -0.94 0.00 0.00 0.00 175.10 174.73 1ugw s SER 69 N 0.44 0.22 0.00 3.32 1.04 -0.73 0.18 113.70 118.17 1ugw s SER 69 Ca -0.17 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1ugw s SER 69 Cb -0.17 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1ugw s SER 69 CO 0.07 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1ugw n GLY 70 N -0.23 -0.99 3.03 7.32 0.00 -0.62 -0.54 105.19 113.17 1ugw n GLY 70 Ca -0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1ugw n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugw s TYR 71 N -3.00 0.62 0.19 1.61 2.02 -0.94 -1.60 117.35 116.24 1ugw s TYR 71 Ca 0.00 -0.39 0.10 0.00 -0.37 0.00 0.00 57.07 56.41 1ugw s TYR 71 Cb 0.00 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 1ugw s TYR 71 CO 0.00 -0.06 -0.19 0.95 -1.57 0.00 0.00 175.55 174.67 1ugw s THR 72 N -1.04 2.03 0.00 -0.71 -4.23 -0.15 -0.95 115.64 110.58 1ugw s THR 72 Ca -0.07 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1ugw s THR 72 Cb -0.08 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1ugw s THR 72 CO 0.00 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1ugw n GLY 73 N 0.09 -0.80 3.78 3.99 0.00 -0.66 -0.87 105.19 110.72 1ugw n GLY 73 Ca -0.11 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 1ugw n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ugw s ASN 74 N 0.00 7.30 -0.18 1.61 0.01 -1.26 -0.96 114.94 121.46 1ugw s ASN 74 Ca 0.00 1.86 -0.03 0.00 -0.71 0.00 0.00 52.86 53.98 1ugw s ASN 74 Cb 0.00 -2.58 0.06 0.00 0.41 0.00 0.00 41.25 39.14 1ugw s ASN 74 CO 0.00 -0.10 0.04 -0.69 -1.51 0.00 0.00 177.10 174.84 1ugw s VAL 75 N -1.61 0.42 0.00 1.60 1.01 -0.14 -4.93 120.40 116.75 1ugw s VAL 75 Ca 0.51 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1ugw s VAL 75 Cb -0.19 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1ugw s VAL 75 CO 0.24 -0.17 0.00 -1.20 0.00 0.00 0.00 175.10 173.97 1ugw n SER 76 N 5.09 0.00 0.02 3.32 7.64 -1.26 -2.07 113.62 126.36 1ugw n SER 76 Ca -0.08 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.92 1ugw n SER 76 Cb 0.48 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.98 1ugw n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugw n GLY 77 N 0.00 -1.35 3.78 0.23 0.00 -1.26 -4.92 105.19 101.66 1ugw n GLY 77 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1ugw n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugw s TYR 78 N -3.05 3.86 -0.17 1.61 2.02 -0.88 -4.99 117.35 115.75 1ugw s TYR 78 Ca 0.10 1.55 -0.21 0.00 -0.37 0.00 0.00 57.07 58.14 1ugw s TYR 78 Cb 0.17 -2.74 -0.03 0.00 -0.40 0.00 0.00 41.96 38.96 1ugw s TYR 78 CO 0.67 0.48 0.65 0.08 -1.57 0.00 0.00 175.55 175.86 1ugw s VAL 79 N -0.94 5.02 0.30 0.71 1.01 -1.26 -0.97 120.40 124.27 1ugw s VAL 79 Ca 0.35 1.25 0.05 0.00 0.00 0.00 0.00 61.98 63.63 1ugw s VAL 79 Cb -0.22 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1ugw s VAL 79 CO 0.25 0.14 0.26 0.68 0.00 0.00 0.00 175.10 176.42 1ugw s VAL 80 N 1.70 0.00 -0.50 2.92 -7.23 -0.13 -4.78 120.40 112.38 1ugw s VAL 80 Ca 0.31 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.28 1ugw s VAL 80 Cb -0.16 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.31 1ugw s VAL 80 CO 0.11 0.00 0.82 -0.69 -0.31 0.00 0.00 175.10 175.03 1ugw s VAL 81 N -3.59 4.59 0.11 1.32 1.01 0.17 -1.65 120.40 122.36 1ugw s VAL 81 Ca 0.40 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1ugw s VAL 81 Cb 0.03 -4.40 -0.22 0.00 0.00 0.00 0.00 36.38 31.79 1ugw s VAL 81 CO 0.24 -0.89 1.26 0.03 0.00 0.00 0.00 175.10 175.73 1ugw h ARG 82 N 9.12 0.08 -3.09 2.72 3.08 -1.34 -2.80 114.38 122.15 1ugw h ARG 82 Ca -0.26 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.56 1ugw h ARG 82 Cb 1.08 0.05 -0.18 0.00 0.08 0.00 0.00 29.97 31.00 1ugw h ARG 82 CO 1.01 1.05 -0.21 0.45 -1.07 0.00 0.00 179.97 181.20 1ugw s SER 83 N -6.84 -0.20 0.01 7.04 0.15 -1.12 -1.76 113.70 110.97 1ugw s SER 83 Ca -0.01 -0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.61 1ugw s SER 83 Cb 0.09 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1ugw s SER 83 CO 0.84 -0.56 0.03 -0.76 1.20 0.00 0.00 173.24 173.98 1ugw s LEU 84 N -1.73 1.98 -0.01 3.45 1.43 -0.91 -2.22 118.68 120.66 1ugw s LEU 84 Ca -0.09 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1ugw s LEU 84 Cb -0.02 0.24 0.02 0.00 0.03 0.00 0.00 46.19 46.45 1ugw s LEU 84 CO 0.00 -0.24 0.01 -0.89 0.23 0.00 0.00 176.35 175.46 1ugw s THR 85 N -1.05 0.03 -0.18 5.49 2.01 0.30 -1.25 115.64 121.00 1ugw s THR 85 Ca -0.11 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.98 1ugw s THR 85 Cb -0.07 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.34 1ugw s THR 85 CO -0.00 0.07 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.48 1ugw s PHE 86 N 0.62 2.81 -0.19 4.92 0.08 0.37 -1.78 117.98 124.81 1ugw s PHE 86 Ca -0.05 -1.35 -0.03 0.00 0.12 0.00 0.00 56.93 55.62 1ugw s PHE 86 Cb -0.08 -1.94 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 1ugw s PHE 86 CO -0.02 -0.67 -0.06 0.21 -0.10 0.00 0.00 175.22 174.58 1ugw s LYS 87 N 1.19 3.43 0.46 0.44 2.20 -0.17 0.76 119.74 128.04 1ugw s LYS 87 Ca 0.02 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1ugw s LYS 87 Cb -0.14 -2.91 0.04 0.00 -1.51 0.00 0.00 37.83 33.32 1ugw s LYS 87 CO -0.07 -0.03 0.35 0.25 -0.36 0.00 0.00 175.35 175.48 1ugw n THR 88 N 4.30 0.00 1.46 3.43 -2.24 0.24 -0.21 114.28 121.26 1ugw n THR 88 Ca -0.18 -1.81 0.12 0.00 -2.27 0.00 0.00 64.05 59.91 1ugw n THR 88 Cb 0.52 -0.11 0.70 0.00 -2.10 0.00 0.00 70.33 69.33 1ugw n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ugw n ASN 89 N -1.87 0.00 -0.00 3.42 6.94 -1.09 -3.91 115.26 118.74 1ugw n ASN 89 Ca -0.02 -0.66 -0.00 0.00 -0.02 0.00 0.00 54.58 53.88 1ugw n ASN 89 Cb 0.52 -0.04 -0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1ugw n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ugw n LYS 90 N -1.04 0.00 -4.14 -3.83 5.02 -1.26 -5.06 118.16 107.86 1ugw n LYS 90 Ca 0.17 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 1ugw n LYS 90 Cb 0.10 -0.72 -0.07 0.00 -0.02 0.00 0.00 35.03 34.32 1ugw n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ugw s LYS 91 N -2.00 1.51 -0.17 1.97 1.02 -1.25 -5.15 119.74 115.68 1ugw s LYS 91 Ca -0.00 -1.62 -0.00 0.00 0.02 0.00 0.00 55.97 54.37 1ugw s LYS 91 Cb 0.00 0.36 -0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1ugw s LYS 91 CO 0.00 -0.57 -0.13 0.99 -0.92 0.00 0.00 175.35 174.72 1ugw s THR 92 N -3.79 2.79 -0.30 2.17 2.01 -1.26 -0.59 115.64 116.67 1ugw s THR 92 Ca 0.33 -0.72 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1ugw s THR 92 Cb 0.03 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.34 1ugw s THR 92 CO 0.15 0.50 0.11 -0.31 -0.69 0.00 0.00 174.62 174.38 1ugw s TYR 93 N 0.91 3.16 0.00 4.92 1.51 0.23 -4.98 117.35 123.10 1ugw s TYR 93 Ca -0.03 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 1ugw s TYR 93 Cb -0.15 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.40 1ugw s TYR 93 CO -0.01 -0.52 0.00 0.41 -1.11 0.00 0.00 175.55 174.32 1ugw n GLY 94 N 4.92 -0.06 3.78 0.71 0.00 -1.26 -0.48 105.19 112.79 1ugw n GLY 94 Ca -0.14 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.29 1ugw n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugw s PRO 95 N 0.00 3.14 -0.20 1.61 0.04 -1.26 -4.98 135.00 133.34 1ugw s PRO 95 Ca 0.00 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1ugw s PRO 95 Cb 0.00 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1ugw s PRO 95 CO 0.00 -1.00 -0.17 0.71 0.04 0.00 0.00 177.00 176.58 1ugw s TYR 96 N -2.06 2.87 0.00 0.56 2.02 -0.38 -4.97 117.35 115.39 1ugw s TYR 96 Ca 0.70 -1.80 0.00 0.00 -0.37 0.00 0.00 57.07 55.59 1ugw s TYR 96 Cb -0.22 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 1ugw s TYR 96 CO 0.33 -0.82 0.00 0.41 -1.57 0.00 0.00 175.55 173.90 1ugw n GLY 97 N 4.58 -0.76 3.62 0.71 0.00 -1.26 -2.14 105.19 109.94 1ugw n GLY 97 Ca -0.19 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.23 1ugw n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ugw s VAL 98 N 0.00 4.06 -0.69 1.61 1.01 -0.72 -4.85 120.40 120.81 1ugw s VAL 98 Ca 0.00 1.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.08 1ugw s VAL 98 Cb 0.00 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1ugw s VAL 98 CO 0.00 -0.60 2.80 0.35 0.00 0.00 0.00 175.10 177.65 1ugw n THR 99 N 6.54 3.85 -3.99 3.92 -2.24 -1.26 -3.82 114.28 117.27 1ugw n THR 99 Ca 0.15 -3.13 -0.08 0.00 -2.27 0.00 0.00 64.05 58.72 1ugw n THR 99 Cb 0.47 -1.83 -0.09 0.00 -2.10 0.00 0.00 70.33 66.78 1ugw n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ugw s SER 100 N 0.68 0.32 0.00 3.42 0.15 -1.26 -5.07 113.70 111.93 1ugw s SER 100 Ca 0.59 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1ugw s SER 100 Cb 0.31 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1ugw s SER 100 CO -0.15 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1ugw n GLY 101 N 0.28 0.24 3.57 9.45 0.00 -1.26 -4.57 105.19 112.89 1ugw n GLY 101 Ca -0.16 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 1ugw n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugw s THR 102 N 0.00 5.11 0.66 2.61 2.01 -0.05 -4.89 115.64 121.10 1ugw s THR 102 Ca 0.00 0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 1ugw s THR 102 Cb 0.00 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1ugw s THR 102 CO 0.00 -0.07 1.05 -2.16 -0.69 0.00 0.00 174.62 172.75 1ugw s PRO 103 N 2.19 3.24 -0.00 4.92 0.04 -1.26 -0.98 135.00 143.14 1ugw s PRO 103 Ca 0.16 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 61.83 1ugw s PRO 103 Cb -0.16 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1ugw s PRO 103 CO 0.12 -0.85 0.42 -0.59 0.04 0.00 0.00 177.00 176.13 1ugw s PHE 104 N -3.13 -0.30 -0.18 0.56 -0.12 -0.63 -4.91 117.98 109.27 1ugw s PHE 104 Ca 0.57 0.42 -0.22 0.00 -0.05 0.00 0.00 56.93 57.65 1ugw s PHE 104 Cb -0.12 0.20 0.06 0.00 -0.63 0.00 0.00 43.02 42.52 1ugw s PHE 104 CO 0.54 -0.49 0.59 0.54 -0.05 0.00 0.00 175.22 176.35 1ugw s ASN 105 N -1.53 -0.60 -0.38 1.98 6.03 -1.26 -1.60 114.94 117.59 1ugw s ASN 105 Ca -0.10 1.05 0.02 0.00 -1.03 0.00 0.00 52.86 52.79 1ugw s ASN 105 Cb -0.03 1.05 0.12 0.00 -3.03 0.00 0.00 41.25 39.36 1ugw s ASN 105 CO 0.03 -0.29 0.16 -0.22 -2.03 0.00 0.00 177.10 174.75 1ugw s LEU 106 N -0.03 3.04 0.21 3.54 2.96 0.13 -4.99 118.68 123.53 1ugw s LEU 106 Ca -0.03 -2.22 -0.21 0.00 -0.22 0.00 0.00 54.13 51.45 1ugw s LEU 106 Cb -0.04 -1.13 -0.08 0.00 0.50 0.00 0.00 46.19 45.44 1ugw s LEU 106 CO 0.02 -0.34 0.74 -2.84 -1.32 0.00 0.00 176.35 172.61 1ugw s PRO 107 N 0.85 4.32 -0.21 0.98 0.02 -1.26 -2.08 135.00 137.62 1ugw s PRO 107 Ca 0.14 0.94 0.01 0.00 0.02 0.00 0.00 61.00 62.10 1ugw s PRO 107 Cb -0.21 -2.96 0.03 0.00 0.02 0.00 0.00 34.50 31.38 1ugw s PRO 107 CO -0.10 0.43 -0.15 0.42 -0.33 0.00 0.00 177.00 177.27 1ugw s ILE 108 N -1.44 2.24 -0.01 2.83 1.01 0.15 -4.98 121.20 121.00 1ugw s ILE 108 Ca 0.41 -1.13 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1ugw s ILE 108 Cb -0.18 -2.08 -0.33 0.00 0.01 0.00 0.00 42.46 39.88 1ugw s ILE 108 CO 0.22 0.33 0.89 -0.33 0.00 0.00 0.00 174.94 176.05 1ugw h GLU 109 N 7.91 0.44 -3.00 2.79 5.08 -1.97 -3.46 114.58 122.36 1ugw h GLU 109 Ca -0.37 -0.75 -0.23 0.00 -1.00 0.00 0.00 59.36 57.01 1ugw h GLU 109 Cb 1.11 0.28 -0.32 0.00 0.50 0.00 0.00 28.75 30.31 1ugw h GLU 109 CO 0.58 1.36 -0.55 1.21 -1.00 0.00 0.00 179.01 180.61 1ugw s ASN 110 N -7.35 0.23 0.00 1.42 2.47 -1.26 -5.12 114.94 105.33 1ugw s ASN 110 Ca -0.12 0.48 0.00 0.00 0.42 0.00 0.00 52.86 53.64 1ugw s ASN 110 Cb 0.03 0.46 0.00 0.00 -1.45 0.00 0.00 41.25 40.30 1ugw s ASN 110 CO 0.89 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.67 1ugw n GLY 111 N 4.91 1.15 3.05 1.21 0.00 -1.26 -4.98 105.19 109.27 1ugw n GLY 111 Ca -0.13 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.69 1ugw n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugw s LEU 112 N 0.00 1.82 -0.10 0.99 1.43 0.95 -4.97 118.68 118.80 1ugw s LEU 112 Ca 0.00 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.54 1ugw s LEU 112 Cb 0.00 0.45 -0.03 0.00 0.03 0.00 0.00 46.19 46.64 1ugw s LEU 112 CO 0.00 -0.33 0.79 -0.63 0.23 0.00 0.00 176.35 176.40 1ugw s ILE 113 N -1.37 4.96 -0.01 -0.59 1.01 -1.26 -1.12 121.20 122.82 1ugw s ILE 113 Ca -0.15 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.12 1ugw s ILE 113 Cb -0.08 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.30 1ugw s ILE 113 CO 0.01 0.15 0.88 1.33 0.00 0.00 0.00 174.94 177.30 1ugw n VAL 114 N 4.19 0.77 -3.63 2.92 0.24 0.09 -4.51 118.33 118.39 1ugw n VAL 114 Ca 0.02 -0.81 -0.02 0.00 -2.04 0.00 0.00 64.34 61.49 1ugw n VAL 114 Cb 0.50 0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 33.41 1ugw n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ugw s GLY 115 N -0.93 -0.24 0.06 7.63 0.00 -1.24 -0.26 107.32 112.35 1ugw s GLY 115 Ca 0.03 1.78 0.03 0.00 0.00 0.00 0.00 44.72 46.56 1ugw s GLY 115 CO 0.00 0.58 -0.09 -1.36 0.00 0.00 0.00 173.10 172.24 1ugw s PHE 116 N -2.12 0.83 0.08 1.90 0.08 -1.25 -1.25 117.98 116.25 1ugw s PHE 116 Ca 0.12 -0.59 -0.14 0.00 0.12 0.00 0.00 56.93 56.43 1ugw s PHE 116 Cb -0.00 -0.48 0.02 0.00 -0.57 0.00 0.00 43.02 41.99 1ugw s PHE 116 CO -0.03 -0.07 0.33 -1.59 -0.10 0.00 0.00 175.22 173.76 1ugw s LYS 117 N -2.17 0.92 0.00 0.44 -2.85 -0.98 -1.53 119.74 113.57 1ugw s LYS 117 Ca -0.03 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 1ugw s LYS 117 Cb -0.06 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1ugw s LYS 117 CO -0.00 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1ugw n GLY 118 N 0.16 -0.67 3.40 0.59 0.00 -0.40 -0.74 105.19 107.53 1ugw n GLY 118 Ca -0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1ugw n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugw s SER 119 N -4.00 -0.51 -0.04 1.61 0.15 -0.81 -0.73 113.70 109.37 1ugw s SER 119 Ca 0.00 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1ugw s SER 119 Cb 0.00 0.97 0.03 0.00 -1.71 0.00 0.00 66.02 65.30 1ugw s SER 119 CO 0.00 -0.21 -0.00 -0.63 1.20 0.00 0.00 173.24 173.59 1ugw s ILE 120 N 0.10 0.24 0.00 6.45 1.01 -0.80 -0.29 121.20 127.91 1ugw s ILE 120 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1ugw s ILE 120 Cb -0.03 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.09 1ugw s ILE 120 CO 0.01 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1ugw n GLY 121 N 4.32 1.30 0.19 6.18 0.00 -1.26 -0.56 105.19 115.36 1ugw n GLY 121 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1ugw n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ugw h TYR 122 N 0.00 0.64 -4.00 1.61 0.05 -1.95 0.24 116.97 113.56 1ugw h TYR 122 Ca 0.00 -0.26 -0.35 0.00 0.05 0.00 0.00 58.73 58.17 1ugw h TYR 122 Cb 0.00 -0.11 -0.14 0.00 1.01 0.00 0.00 36.73 37.49 1ugw h TYR 122 CO 0.00 1.00 -0.59 -1.58 -1.05 0.00 0.00 178.16 175.94 1ugw s TRP 123 N -3.80 1.49 -0.34 4.88 0.51 -1.26 -4.45 118.94 115.96 1ugw s TRP 123 Ca -0.07 -1.29 -0.28 0.00 -2.12 0.00 0.00 56.10 52.34 1ugw s TRP 123 Cb 0.11 -0.82 -0.02 0.00 -0.81 0.00 0.00 33.47 31.93 1ugw s TRP 123 CO 0.84 -0.46 1.83 -1.17 -0.51 0.00 0.00 176.95 177.48 1ugw s LEU 124 N -3.31 3.49 0.02 2.99 2.96 -0.62 -4.38 118.68 119.83 1ugw s LEU 124 Ca 0.37 1.27 -0.22 0.00 -0.22 0.00 0.00 54.13 55.32 1ugw s LEU 124 Cb 0.07 -3.43 -0.17 0.00 0.50 0.00 0.00 46.19 43.16 1ugw s LEU 124 CO 0.15 -1.78 1.32 0.44 -1.32 0.00 0.00 176.35 175.16 1ugw h ASP 125 N 13.20 0.23 -5.09 3.68 3.32 -0.95 0.50 116.42 131.31 1ugw h ASP 125 Ca -0.33 -0.47 0.14 0.00 0.02 0.00 0.00 57.03 56.38 1ugw h ASP 125 Cb 1.17 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.56 1ugw h ASP 125 CO 1.04 0.65 0.45 -0.72 -1.72 0.00 0.00 179.24 178.94 1ugw s TYR 126 N -4.32 -0.22 0.09 4.55 -0.85 -1.23 -4.10 117.35 111.26 1ugw s TYR 126 Ca -0.15 -0.05 -0.23 0.00 -0.52 0.00 0.00 57.07 56.12 1ugw s TYR 126 Cb 0.04 0.61 0.06 0.00 0.38 0.00 0.00 41.96 43.05 1ugw s TYR 126 CO 0.72 -0.79 0.57 -0.59 -1.52 0.00 0.00 175.55 173.94 1ugw s PHE 127 N -3.32 -0.49 0.17 -3.49 -0.71 -1.26 -1.92 117.98 106.96 1ugw s PHE 127 Ca 0.09 0.46 0.02 0.00 -1.04 0.00 0.00 56.93 56.47 1ugw s PHE 127 Cb -0.02 0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 42.18 1ugw s PHE 127 CO -0.01 -0.73 -0.02 -1.12 -1.34 0.00 0.00 175.22 171.99 1ugw s SER 128 N -2.25 1.40 -0.00 1.98 0.01 0.08 -4.97 113.70 109.95 1ugw s SER 128 Ca -0.03 -1.14 0.04 0.00 1.31 0.00 0.00 55.95 56.13 1ugw s SER 128 Cb -0.00 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 1ugw s SER 128 CO -0.06 -0.51 -0.13 -0.04 0.41 0.00 0.00 173.24 172.92 1ugw s MET 129 N -3.87 1.00 -0.00 12.44 -1.94 -1.26 -2.31 119.30 123.35 1ugw s MET 129 Ca 0.22 -0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 53.49 1ugw s MET 129 Cb 0.05 -0.97 -0.05 0.00 2.01 0.00 0.00 34.83 35.87 1ugw s MET 129 CO 0.03 0.26 0.61 0.71 -0.01 0.00 0.00 175.02 176.63 1ugw s TYR 130 N -0.39 3.68 0.05 -0.03 1.51 -0.38 -4.98 117.35 116.82 1ugw s TYR 130 Ca 0.04 1.22 0.09 0.00 -1.01 0.00 0.00 57.07 57.41 1ugw s TYR 130 Cb -0.05 -2.63 -0.03 0.00 -0.11 0.00 0.00 41.96 39.13 1ugw s TYR 130 CO -0.00 0.33 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.02 1ugw s LEU 131 N -0.13 2.19 0.19 -1.29 1.43 -1.26 -0.73 118.68 119.07 1ugw s LEU 131 Ca 0.32 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1ugw s LEU 131 Cb -0.18 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 44.90 1ugw s LEU 131 CO 0.18 0.21 0.51 -0.55 0.23 0.00 0.00 176.35 176.93 1ugw s SER 132 N -1.32 -0.26 0.00 2.29 0.15 -0.27 -4.92 113.70 109.37 1ugw s SER 132 Ca 0.10 -0.47 0.30 0.00 0.70 0.00 0.00 55.95 56.59 1ugw s SER 132 Cb -0.10 0.57 1.52 0.00 -1.71 0.00 0.00 66.02 66.30 1ugw s SER 132 CO 0.02 -1.03 2.01 0.18 1.20 0.00 0.00 173.24 175.62