#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 3.98 0.55 1.61 2.20 -0.00 -4.78 119.74 123.30 1ugw s LYS 2 Ca 0.00 -0.03 -0.18 0.00 -0.36 0.00 0.00 55.97 55.40 1ugw s LYS 2 Cb 0.00 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 1ugw s LYS 2 CO 0.00 -0.28 1.07 0.00 -0.36 0.00 0.00 175.35 175.78 1ugw s ALA 3 N 2.03 2.75 0.06 3.13 0.00 -1.26 -1.72 121.76 126.75 1ugw s ALA 3 Ca 0.14 0.58 -0.08 0.00 0.00 0.00 0.00 51.96 52.60 1ugw s ALA 3 Cb -0.16 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1ugw s ALA 3 CO 0.10 -0.67 0.15 -0.59 0.00 0.00 0.00 175.76 174.76 1ugw s PHE 4 N -2.13 0.16 -0.28 0.00 -0.71 0.28 -4.94 117.98 110.36 1ugw s PHE 4 Ca 0.67 -0.50 0.02 0.00 -1.04 0.00 0.00 56.93 56.08 1ugw s PHE 4 Cb -0.18 -0.10 0.16 0.00 -1.21 0.00 0.00 43.02 41.69 1ugw s PHE 4 CO 0.29 -0.45 0.42 0.34 -1.34 0.00 0.00 175.22 174.48 1ugw s ASP 5 N -2.43 0.23 0.31 1.98 -1.08 -1.26 -0.91 116.67 113.50 1ugw s ASP 5 Ca -0.01 -0.25 0.10 0.00 -0.52 0.00 0.00 52.55 51.87 1ugw s ASP 5 Cb 0.02 1.18 0.48 0.00 -1.46 0.00 0.00 42.92 43.14 1ugw s ASP 5 CO -0.07 -0.34 1.69 0.44 0.52 0.00 0.00 175.17 177.41 1ugw h ASP 6 N 8.15 0.05 -4.71 -0.34 3.32 -1.61 -3.49 116.42 117.78 1ugw h ASP 6 Ca -0.10 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ugw h ASP 6 Cb 1.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1ugw h ASP 6 CO 0.26 0.55 0.00 0.61 -1.72 0.00 0.00 179.24 178.94 1ugw n GLY 7 N -0.04 -1.85 3.72 2.75 0.00 -1.25 -4.97 105.19 103.55 1ugw n GLY 7 Ca -0.02 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.70 3.41 0.00 4.61 0.00 -1.26 -3.93 121.76 122.90 1ugw s ALA 8 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1ugw s ALA 8 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1ugw s ALA 8 CO 0.00 0.64 0.00 1.19 0.00 0.00 0.00 175.76 177.59 1ugw n PHE 9 N 1.59 0.00 0.12 0.00 3.01 0.79 -5.00 117.46 117.98 1ugw n PHE 9 Ca -0.16 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.40 1ugw n PHE 9 Cb 0.53 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.03 1ugw n PHE 9 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ugw h THR 10 N 0.43 0.11 0.00 4.37 2.02 -1.44 -3.46 112.91 114.94 1ugw h THR 10 Ca 0.00 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1ugw h THR 10 Cb 0.00 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1ugw h THR 10 CO 0.00 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.56 1ugw n GLY 11 N 1.19 -1.37 3.12 2.16 0.00 -1.18 -4.92 105.19 104.19 1ugw n GLY 11 Ca -0.00 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.90 1.56 -0.15 -0.61 1.01 -1.26 -1.17 121.20 117.68 1ugw s ILE 12 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1ugw s ILE 12 Cb 0.00 -1.37 -0.14 0.00 0.01 0.00 0.00 42.46 40.96 1ugw s ILE 12 CO 0.00 0.45 -0.06 0.54 0.00 0.00 0.00 174.94 175.87 1ugw n ARG 13 N 3.56 1.07 -3.61 2.79 1.74 -0.04 -4.80 116.66 117.37 1ugw n ARG 13 Ca -0.20 0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.77 1ugw n ARG 13 Cb 0.52 -1.34 -0.07 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.33 0.87 -0.09 5.56 2.12 -0.80 -1.66 118.70 122.38 1ugw s GLU 14 Ca -0.15 0.59 0.03 0.00 0.36 0.00 0.00 54.97 55.80 1ugw s GLU 14 Cb 0.05 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.86 1ugw s GLU 14 CO 0.46 -0.19 -0.19 0.42 -0.54 0.00 0.00 175.26 175.23 1ugw s ILE 15 N -0.36 1.66 -0.20 -3.70 1.01 -0.30 -0.33 121.20 118.99 1ugw s ILE 15 Ca -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1ugw s ILE 15 Cb -0.03 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 41.00 1ugw s ILE 15 CO 0.05 0.47 -0.17 0.20 0.00 0.00 0.00 174.94 175.49 1ugw s ASN 16 N 0.56 3.47 0.20 3.58 0.01 0.60 -0.18 114.94 123.18 1ugw s ASN 16 Ca -0.15 -0.76 -0.00 0.00 -0.71 0.00 0.00 52.86 51.24 1ugw s ASN 16 Cb -0.17 -1.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.93 1ugw s ASN 16 CO 0.05 -0.04 0.10 -1.48 -1.51 0.00 0.00 177.10 174.22 1ugw s LEU 17 N 1.28 1.48 0.05 0.60 0.05 -0.62 -0.35 118.68 121.16 1ugw s LEU 17 Ca 0.03 -1.33 0.01 0.00 0.05 0.00 0.00 54.13 52.89 1ugw s LEU 17 Cb -0.14 0.24 -0.03 0.00 -2.05 0.00 0.00 46.19 44.21 1ugw s LEU 17 CO -0.11 -0.77 -0.06 -0.94 -0.55 0.00 0.00 176.35 173.93 1ugw s SER 18 N -3.18 0.70 0.28 1.48 1.04 -0.98 0.38 113.70 113.42 1ugw s SER 18 Ca 0.34 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 56.05 1ugw s SER 18 Cb 0.07 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 1ugw s SER 18 CO 0.10 -0.31 0.42 -0.72 0.98 0.00 0.00 173.24 173.70 1ugw s TYR 19 N -2.02 0.78 -0.04 5.02 1.13 -0.52 -0.06 117.35 121.65 1ugw s TYR 19 Ca -0.06 -1.07 -0.00 0.00 -1.41 0.00 0.00 57.07 54.52 1ugw s TYR 19 Cb -0.06 -0.05 0.03 0.00 -1.10 0.00 0.00 41.96 40.78 1ugw s TYR 19 CO -0.02 -0.99 0.02 1.21 -2.51 0.00 0.00 175.55 173.26 1ugw s ASN 20 N -3.13 0.70 0.32 -0.18 3.84 -1.10 0.31 114.94 115.71 1ugw s ASN 20 Ca 0.29 -0.01 0.17 0.00 0.21 0.00 0.00 52.86 53.52 1ugw s ASN 20 Cb 0.01 -0.22 0.92 0.00 -0.55 0.00 0.00 41.25 41.41 1ugw s ASN 20 CO 0.14 -0.15 1.46 0.29 -2.79 0.00 0.00 177.10 176.05 1ugw n LYS 21 N 4.53 0.11 -0.00 0.43 5.02 -1.26 -2.04 118.16 124.95 1ugw n LYS 21 Ca -0.19 0.60 0.06 0.00 -2.02 0.00 0.00 58.31 56.76 1ugw n LYS 21 Cb 0.50 -2.03 -0.09 0.00 -0.02 0.00 0.00 35.03 33.39 1ugw n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ugw n GLU 22 N -2.14 1.08 0.00 1.97 1.02 -1.26 -4.71 120.64 116.60 1ugw n GLU 22 Ca -0.01 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1ugw n GLU 22 Cb 0.19 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1ugw n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ugw n THR 23 N -1.75 0.00 -3.00 2.62 -2.24 -0.87 -5.07 114.28 103.98 1ugw n THR 23 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ugw n THR 23 Cb 0.28 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -3.00 0.00 -1.82 6.98 0.00 -1.25 -4.66 120.51 116.76 1ugw n ALA 24 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1ugw n ALA 24 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.73 3.20 0.00 0.00 -1.09 -0.96 -2.72 121.20 116.91 1ugw s ILE 25 Ca 0.00 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 1ugw s ILE 25 Cb 0.00 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1ugw s ILE 25 CO 0.00 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 1ugw n GLY 26 N 1.28 0.15 3.82 6.18 0.00 0.92 -1.35 105.19 116.18 1ugw n GLY 26 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.38 6.07 -0.17 1.61 1.01 -1.25 -4.21 116.67 119.35 1ugw s ASP 27 Ca 0.00 1.70 -0.07 0.00 0.71 0.00 0.00 52.55 54.89 1ugw s ASP 27 Cb 0.00 -2.52 0.07 0.00 1.01 0.00 0.00 42.92 41.48 1ugw s ASP 27 CO 0.00 -0.97 0.38 0.12 0.21 0.00 0.00 175.17 174.91 1ugw s PHE 28 N -2.58 -0.63 -0.09 4.23 5.36 -0.17 -2.32 117.98 121.78 1ugw s PHE 28 Ca 0.61 1.29 -0.10 0.00 -0.96 0.00 0.00 56.93 57.78 1ugw s PHE 28 Cb -0.14 0.22 0.02 0.00 -0.34 0.00 0.00 43.02 42.79 1ugw s PHE 28 CO 0.37 -0.39 0.26 -1.14 -1.46 0.00 0.00 175.22 172.86 1ugw s GLN 29 N 2.02 0.36 -0.02 10.12 0.74 0.52 -1.64 119.66 131.77 1ugw s GLN 29 Ca -0.05 0.27 0.05 0.00 0.05 0.00 0.00 55.36 55.68 1ugw s GLN 29 Cb -0.11 0.17 -0.01 0.00 1.10 0.00 0.00 33.01 34.16 1ugw s GLN 29 CO -0.12 -0.06 -0.15 0.08 -0.55 0.00 0.00 175.29 174.49 1ugw s VAL 30 N -0.10 1.23 -0.39 1.34 1.01 -1.26 -0.29 120.40 121.94 1ugw s VAL 30 Ca -0.02 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1ugw s VAL 30 Cb -0.03 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.35 1ugw s VAL 30 CO 0.01 0.35 0.24 -0.69 0.00 0.00 0.00 175.10 175.01 1ugw s VAL 31 N -0.30 4.76 0.67 2.92 1.01 0.55 -0.74 120.40 129.27 1ugw s VAL 31 Ca 0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1ugw s VAL 31 Cb -0.07 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.73 1ugw s VAL 31 CO -0.00 -0.28 0.93 -0.31 0.00 0.00 0.00 175.10 175.44 1ugw s TYR 32 N 1.58 2.14 -0.09 5.22 1.51 0.35 -0.87 117.35 127.19 1ugw s TYR 32 Ca 0.03 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1ugw s TYR 32 Cb -0.19 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 38.68 1ugw s TYR 32 CO 0.07 -1.42 -0.04 0.34 -1.11 0.00 0.00 175.55 173.40 1ugw s ASP 33 N -4.61 4.88 -0.37 2.29 2.15 -0.32 -0.42 116.67 120.27 1ugw s ASP 33 Ca 0.63 0.01 0.01 0.00 0.43 0.00 0.00 52.55 53.63 1ugw s ASP 33 Cb -0.07 -1.41 0.11 0.00 -0.30 0.00 0.00 42.92 41.25 1ugw s ASP 33 CO 0.42 0.32 0.15 -0.22 -0.17 0.00 0.00 175.17 175.68 1ugw s LEU 34 N -0.57 2.99 -1.48 -1.34 2.96 0.91 -1.26 118.68 120.89 1ugw s LEU 34 Ca 0.09 -2.15 -0.08 0.00 -0.22 0.00 0.00 54.13 51.76 1ugw s LEU 34 Cb -0.12 -1.11 0.06 0.00 0.50 0.00 0.00 46.19 45.52 1ugw s LEU 34 CO 0.02 -0.35 0.76 0.59 -1.32 0.00 0.00 176.35 176.05 1ugw n ASN 35 N 4.19 -2.72 0.00 3.68 5.03 -1.26 -1.73 115.26 122.45 1ugw n ASN 35 Ca 0.03 -0.88 0.00 0.00 0.87 0.00 0.00 54.58 54.60 1ugw n ASN 35 Cb 0.39 -3.55 0.00 0.00 -1.02 0.00 0.00 39.78 35.60 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 -1.68 0.90 3.34 7.41 0.00 -1.26 -5.05 105.19 108.84 1ugw n GLY 36 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1ugw n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugw s SER 37 N -2.84 3.48 0.38 1.61 0.15 -0.71 -5.10 113.70 110.68 1ugw s SER 37 Ca 0.00 -0.40 -0.28 0.00 0.70 0.00 0.00 55.95 55.98 1ugw s SER 37 Cb 0.00 -0.98 -0.10 0.00 -1.71 0.00 0.00 66.02 63.23 1ugw s SER 37 CO 0.00 0.26 1.40 -2.84 1.20 0.00 0.00 173.24 173.25 1ugw s PRO 38 N -0.21 4.11 -0.17 5.44 0.02 -1.26 -0.06 135.00 142.86 1ugw s PRO 38 Ca -0.01 2.39 -0.01 0.00 0.02 0.00 0.00 61.00 63.39 1ugw s PRO 38 Cb -0.13 -2.93 0.05 0.00 0.02 0.00 0.00 34.50 31.50 1ugw s PRO 38 CO 0.03 -0.46 -0.03 -0.47 -0.33 0.00 0.00 177.00 175.74 1ugw s TYR 39 N -1.16 1.57 -0.37 6.54 6.14 0.44 -4.81 117.35 125.70 1ugw s TYR 39 Ca 0.53 -1.05 -0.29 0.00 0.64 0.00 0.00 57.07 56.90 1ugw s TYR 39 Cb -0.43 -1.25 0.02 0.00 0.42 0.00 0.00 41.96 40.72 1ugw s TYR 39 CO 0.57 -0.61 1.18 0.08 0.64 0.00 0.00 175.55 177.41 1ugw s VAL 40 N 1.67 4.27 0.73 3.14 1.01 -1.26 -0.50 120.40 129.47 1ugw s VAL 40 Ca -0.00 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 1ugw s VAL 40 Cb -0.16 -4.40 0.03 0.00 0.00 0.00 0.00 36.38 31.85 1ugw s VAL 40 CO -0.07 -0.67 1.07 -0.83 0.00 0.00 0.00 175.10 174.59 1ugw s GLY 41 N 2.38 1.67 0.39 4.51 0.00 0.08 -4.97 107.32 111.38 1ugw s GLY 41 Ca 0.50 0.14 -0.27 0.00 0.00 0.00 0.00 44.72 45.09 1ugw s GLY 41 CO 0.24 0.47 1.39 1.62 0.00 0.00 0.00 173.10 176.82 1ugw s GLN 42 N -5.00 4.01 -0.32 2.90 0.74 -1.26 -4.64 119.66 116.10 1ugw s GLN 42 Ca 0.59 2.37 -0.27 0.00 0.05 0.00 0.00 55.36 58.09 1ugw s GLN 42 Cb -0.15 -2.86 0.01 0.00 1.10 0.00 0.00 33.01 31.11 1ugw s GLN 42 CO 0.55 -0.53 1.00 1.21 -0.55 0.00 0.00 175.29 176.97 1ugw s ASN 43 N -0.45 6.86 -0.57 6.67 2.47 -1.26 -4.60 114.94 124.05 1ugw s ASN 43 Ca 0.55 0.94 -0.18 0.00 0.42 0.00 0.00 52.86 54.58 1ugw s ASN 43 Cb -0.42 -2.51 0.10 0.00 -1.45 0.00 0.00 41.25 36.97 1ugw s ASN 43 CO 0.56 -0.81 0.66 -1.00 -3.72 0.00 0.00 177.10 172.79 1ugw s HIS 44 N 3.46 3.04 0.08 0.43 3.76 -0.65 -5.00 115.29 120.42 1ugw s HIS 44 Ca 0.42 -0.96 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1ugw s HIS 44 Cb -0.13 -3.91 -0.04 0.00 1.11 0.00 0.00 32.58 29.61 1ugw s HIS 44 CO 0.15 -1.22 0.20 0.14 -0.85 0.00 0.00 174.74 173.15 1ugw s VAL 45 N 2.51 5.20 0.78 -0.90 -7.23 -1.26 -1.00 120.40 118.50 1ugw s VAL 45 Ca 0.10 -0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 59.64 1ugw s VAL 45 Cb -0.24 -3.56 0.07 0.00 0.56 0.00 0.00 36.38 33.20 1ugw s VAL 45 CO 0.06 0.10 1.11 -0.55 -0.31 0.00 0.00 175.10 175.51 1ugw s SER 46 N -2.61 4.28 0.25 4.85 0.15 -1.26 -4.85 113.70 114.50 1ugw s SER 46 Ca 0.34 1.92 0.25 0.00 0.70 0.00 0.00 55.95 59.16 1ugw s SER 46 Cb -0.12 -2.53 0.90 0.00 -1.71 0.00 0.00 66.02 62.56 1ugw s SER 46 CO 0.27 -2.19 1.75 -0.26 1.20 0.00 0.00 173.24 174.01 1ugw h PHE 47 N -1.12 0.00 -1.04 3.44 0.04 -1.26 -3.46 116.94 113.54 1ugw h PHE 47 Ca -0.44 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 59.69 1ugw h PHE 47 Cb 1.24 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.26 1ugw h PHE 47 CO 0.56 0.00 -0.52 0.96 -0.60 0.00 0.00 178.31 178.71 1ugw s ILE 48 N -3.23 1.01 0.17 -0.55 -4.36 -1.26 -5.04 121.20 107.94 1ugw s ILE 48 Ca 0.07 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1ugw s ILE 48 Cb 0.11 -2.23 -0.00 0.00 1.25 0.00 0.00 42.46 41.59 1ugw s ILE 48 CO 0.50 0.00 0.02 0.35 0.24 0.00 0.00 174.94 176.04 1ugw n THR 49 N -1.16 0.00 0.00 8.37 -2.24 -1.26 -4.90 114.28 113.09 1ugw n THR 49 Ca -0.15 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1ugw n THR 49 Cb 0.66 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 2.31 1.03 3.93 3.38 0.00 -1.26 -5.10 105.19 109.48 1ugw n GLY 50 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 0.44 -0.11 0.00 0.12 0.00 0.00 56.93 57.38 1ugw s PHE 51 Cb 0.00 -1.96 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1ugw s PHE 51 CO 0.00 0.14 0.21 0.99 -0.10 0.00 0.00 175.22 176.46 1ugw s THR 52 N -2.23 5.30 0.34 0.64 2.01 0.15 -4.84 115.64 117.01 1ugw s THR 52 Ca 0.41 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 62.36 1ugw s THR 52 Cb -0.10 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1ugw s THR 52 CO 0.34 0.24 1.04 -2.16 -0.69 0.00 0.00 174.62 173.40 1ugw s PRO 53 N 1.78 4.42 -0.03 4.92 0.04 -1.26 -1.44 135.00 143.43 1ugw s PRO 53 Ca 0.08 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1ugw s PRO 53 Cb -0.16 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1ugw s PRO 53 CO 0.11 0.07 -0.04 0.08 0.04 0.00 0.00 177.00 177.26 1ugw s VAL 54 N -1.46 0.45 -0.20 -0.36 1.01 0.16 -4.96 120.40 115.04 1ugw s VAL 54 Ca 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1ugw s VAL 54 Cb -0.25 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1ugw s VAL 54 CO 0.32 0.18 -0.16 -0.75 0.00 0.00 0.00 175.10 174.68 1ugw s LYS 55 N 0.56 2.99 -0.46 2.72 2.20 -1.26 -1.58 119.74 124.90 1ugw s LYS 55 Ca -0.07 -0.84 -0.10 0.00 -0.36 0.00 0.00 55.97 54.60 1ugw s LYS 55 Cb -0.10 -2.68 0.11 0.00 -1.51 0.00 0.00 37.83 33.65 1ugw s LYS 55 CO -0.00 -0.24 0.33 0.42 -0.36 0.00 0.00 175.35 175.49 1ugw s ILE 56 N 1.31 4.27 -0.39 5.43 1.01 0.74 -4.99 121.20 128.58 1ugw s ILE 56 Ca 0.04 -1.65 -0.17 0.00 0.00 0.00 0.00 60.65 58.87 1ugw s ILE 56 Cb -0.14 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.59 1ugw s ILE 56 CO -0.11 -0.70 0.41 -0.44 0.00 0.00 0.00 174.94 174.11 1ugw s SER 57 N 2.55 6.20 0.26 3.58 0.01 -1.26 -1.15 113.70 123.88 1ugw s SER 57 Ca 0.05 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 56.69 1ugw s SER 57 Cb -0.25 -2.22 -0.08 0.00 0.21 0.00 0.00 66.02 63.68 1ugw s SER 57 CO 0.00 -0.49 0.64 -0.76 0.41 0.00 0.00 173.24 173.04 1ugw s LEU 58 N 2.11 4.16 -1.39 2.44 1.43 -0.66 -4.97 118.68 121.80 1ugw s LEU 58 Ca 0.12 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 1ugw s LEU 58 Cb -0.17 -3.78 0.09 0.00 0.03 0.00 0.00 46.19 42.36 1ugw s LEU 58 CO 0.13 -0.09 2.17 -0.67 0.23 0.00 0.00 176.35 178.11 1ugw n ASP 59 N -0.03 5.26 -4.77 2.29 2.03 -1.26 -4.86 116.55 115.20 1ugw n ASP 59 Ca 0.01 -2.96 -0.41 0.00 0.52 0.00 0.00 54.79 51.95 1ugw n ASP 59 Cb 0.52 -1.54 -0.02 0.00 -0.72 0.00 0.00 41.12 39.36 1ugw n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ugw s PHE 60 N 1.47 2.95 -2.50 -0.67 5.36 -1.26 -1.17 117.98 122.16 1ugw s PHE 60 Ca 0.47 1.29 0.23 0.00 -0.96 0.00 0.00 56.93 57.96 1ugw s PHE 60 Cb 0.13 -3.78 0.45 0.00 -0.34 0.00 0.00 43.02 39.48 1ugw s PHE 60 CO -0.05 -2.25 1.41 -0.35 -1.46 0.00 0.00 175.22 172.52 1ugw n PRO 61 N 1.02 2.42 0.17 10.12 -0.04 -1.26 -4.88 135.00 142.56 1ugw n PRO 61 Ca 0.01 -2.14 0.03 0.00 -0.04 0.00 0.00 63.50 61.37 1ugw n PRO 61 Cb 0.41 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.67 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 4.26 0.00 -3.34 3.54 4.64 -1.78 -3.42 113.55 117.45 1ugw h SER 62 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1ugw h SER 62 Cb 0.94 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.83 1ugw h SER 62 CO 0.00 0.44 -0.66 -0.70 -0.87 0.00 0.00 176.83 175.05 1ugw s GLU 63 N -3.67 3.52 0.05 4.77 2.12 -0.31 -4.96 118.70 120.21 1ugw s GLU 63 Ca -0.01 -0.49 -0.11 0.00 0.36 0.00 0.00 54.97 54.72 1ugw s GLU 63 Cb 0.12 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.63 1ugw s GLU 63 CO 0.71 0.35 0.25 1.52 -0.54 0.00 0.00 175.26 177.54 1ugw s TYR 64 N 0.08 -0.01 0.10 5.30 1.13 -1.26 -4.31 117.35 118.38 1ugw s TYR 64 Ca 0.00 -0.20 -0.31 0.00 -1.41 0.00 0.00 57.07 55.15 1ugw s TYR 64 Cb -0.13 0.03 -0.08 0.00 -1.10 0.00 0.00 41.96 40.68 1ugw s TYR 64 CO 0.03 -0.48 1.42 0.42 -2.51 0.00 0.00 175.55 174.42 1ugw s ILE 65 N -2.75 3.28 -0.05 -3.49 1.01 -1.26 -2.55 121.20 115.39 1ugw s ILE 65 Ca -0.04 0.89 0.12 0.00 0.00 0.00 0.00 60.65 61.62 1ugw s ILE 65 Cb -0.00 -3.57 -0.18 0.00 0.01 0.00 0.00 42.46 38.72 1ugw s ILE 65 CO -0.05 0.06 0.27 0.23 0.00 0.00 0.00 174.94 175.45 1ugw n MET 66 N 4.22 0.52 -3.66 2.79 2.81 0.10 -4.74 117.12 119.16 1ugw n MET 66 Ca 0.12 -0.10 -0.13 0.00 -1.81 0.00 0.00 57.70 55.78 1ugw n MET 66 Cb 0.42 -1.26 -0.08 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.76 0.71 -0.11 0.03 2.12 -0.87 -0.19 118.70 117.63 1ugw s GLU 67 Ca -0.04 0.90 0.03 0.00 0.36 0.00 0.00 54.97 56.22 1ugw s GLU 67 Cb 0.07 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.78 1ugw s GLU 67 CO 0.48 -0.10 -0.19 0.08 -0.54 0.00 0.00 175.26 174.99 1ugw s VAL 68 N 0.53 1.78 0.17 3.70 1.01 -0.73 -1.11 120.40 125.76 1ugw s VAL 68 Ca -0.02 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1ugw s VAL 68 Cb -0.05 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1ugw s VAL 68 CO -0.02 0.50 0.03 -0.94 0.00 0.00 0.00 175.10 174.66 1ugw s SER 69 N 0.69 0.92 0.00 3.32 1.04 -0.73 0.52 113.70 119.46 1ugw s SER 69 Ca -0.12 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.11 1ugw s SER 69 Cb -0.16 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1ugw s SER 69 CO 0.02 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1ugw n GLY 70 N -0.22 0.45 3.01 7.32 0.00 -0.36 -0.57 105.19 114.82 1ugw n GLY 70 Ca -0.05 -0.77 -0.16 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 -2.04 0.64 0.02 1.61 1.51 -1.02 -1.29 117.35 116.78 1ugw s TYR 71 Ca 0.00 -0.22 0.07 0.00 -1.01 0.00 0.00 57.07 55.91 1ugw s TYR 71 Cb 0.00 -0.40 -0.03 0.00 -0.11 0.00 0.00 41.96 41.42 1ugw s TYR 71 CO 0.00 -0.02 -0.20 0.95 -1.11 0.00 0.00 175.55 175.17 1ugw s THR 72 N -0.49 2.64 0.25 -0.71 -4.23 -0.25 -0.36 115.64 112.50 1ugw s THR 72 Ca -0.00 -1.14 -0.20 0.00 -1.18 0.00 0.00 61.69 59.16 1ugw s THR 72 Cb -0.05 -2.07 0.07 0.00 1.34 0.00 0.00 72.50 71.79 1ugw s THR 72 CO 0.00 0.41 0.94 -0.83 -0.54 0.00 0.00 174.62 174.60 1ugw s GLY 73 N -1.20 0.14 -0.12 3.99 0.00 -0.21 -0.73 107.32 109.18 1ugw s GLY 73 Ca 0.13 -0.40 -0.20 0.00 0.00 0.00 0.00 44.72 44.25 1ugw s GLY 73 CO 0.03 1.16 0.56 0.21 0.00 0.00 0.00 173.10 175.06 1ugw s ASN 74 N -3.22 6.75 -0.16 1.64 2.47 -1.26 -0.68 114.94 120.47 1ugw s ASN 74 Ca 0.18 0.90 -0.02 0.00 0.42 0.00 0.00 52.86 54.33 1ugw s ASN 74 Cb -0.03 -2.33 0.05 0.00 -1.45 0.00 0.00 41.25 37.49 1ugw s ASN 74 CO 0.07 -0.08 0.02 -0.69 -3.72 0.00 0.00 177.10 172.70 1ugw s VAL 75 N 0.92 0.51 -1.46 -5.21 1.01 0.10 -4.81 120.40 111.47 1ugw s VAL 75 Ca 0.29 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1ugw s VAL 75 Cb -0.16 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1ugw s VAL 75 CO 0.12 -0.09 0.86 -1.20 0.00 0.00 0.00 175.10 174.79 1ugw n SER 76 N 5.07 -5.69 0.00 3.32 7.64 -1.26 -1.55 113.62 121.15 1ugw n SER 76 Ca -0.09 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1ugw n SER 76 Cb 0.48 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 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 -1.68 0.76 3.36 0.23 0.00 -1.26 -5.03 105.19 101.57 1ugw n GLY 77 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.91 2.60 -0.24 1.61 2.02 -0.60 -5.09 117.35 114.75 1ugw s TYR 78 Ca 0.00 -0.50 -0.24 0.00 -0.37 0.00 0.00 57.07 55.96 1ugw s TYR 78 Cb 0.00 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 1ugw s TYR 78 CO 0.00 -0.07 0.79 0.08 -1.57 0.00 0.00 175.55 174.78 1ugw s VAL 79 N -0.27 4.87 0.27 0.71 1.01 -1.26 0.02 120.40 125.75 1ugw s VAL 79 Ca 0.01 1.49 0.03 0.00 0.00 0.00 0.00 61.98 63.50 1ugw s VAL 79 Cb -0.13 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1ugw s VAL 79 CO 0.03 -0.04 0.21 0.68 0.00 0.00 0.00 175.10 175.97 1ugw s VAL 80 N 2.71 0.00 -0.46 2.92 -7.23 0.14 -4.78 120.40 113.70 1ugw s VAL 80 Ca 0.33 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 1ugw s VAL 80 Cb -0.15 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.31 1ugw s VAL 80 CO 0.08 0.00 0.80 -0.69 -0.31 0.00 0.00 175.10 174.98 1ugw s VAL 81 N -3.79 4.62 -0.27 1.32 1.01 0.01 -1.05 120.40 122.26 1ugw s VAL 81 Ca 0.40 0.42 0.21 0.00 0.00 0.00 0.00 61.98 63.01 1ugw s VAL 81 Cb 0.05 -4.35 0.07 0.00 0.00 0.00 0.00 36.38 32.15 1ugw s VAL 81 CO 0.20 -0.76 1.19 0.03 0.00 0.00 0.00 175.10 175.77 1ugw h ARG 82 N 9.01 0.00 -2.88 2.72 3.08 -0.99 -2.53 114.38 122.79 1ugw h ARG 82 Ca -0.25 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 1ugw h ARG 82 Cb 1.08 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.95 1ugw h ARG 82 CO 0.97 0.08 -0.11 0.45 -1.07 0.00 0.00 179.97 180.30 1ugw s SER 83 N -5.73 -0.31 -0.01 7.04 0.15 -1.16 -2.03 113.70 111.65 1ugw s SER 83 Ca 0.01 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 1ugw s SER 83 Cb 0.08 0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1ugw s SER 83 CO 0.76 -0.59 0.05 -0.76 1.20 0.00 0.00 173.24 173.90 1ugw s LEU 84 N -1.69 1.84 -0.02 3.45 1.43 -0.82 -2.44 118.68 120.43 1ugw s LEU 84 Ca -0.08 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1ugw s LEU 84 Cb -0.02 0.29 0.02 0.00 0.03 0.00 0.00 46.19 46.50 1ugw s LEU 84 CO 0.01 -0.17 -0.02 -0.89 0.23 0.00 0.00 176.35 175.51 1ugw s THR 85 N -0.67 0.26 -0.19 5.49 2.01 0.27 -1.24 115.64 121.56 1ugw s THR 85 Ca -0.08 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1ugw s THR 85 Cb -0.05 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.18 1ugw s THR 85 CO 0.00 0.13 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.54 1ugw s PHE 86 N 0.62 2.81 -0.18 4.92 0.40 0.63 -1.77 117.98 125.41 1ugw s PHE 86 Ca -0.07 -1.50 -0.04 0.00 -0.60 0.00 0.00 56.93 54.72 1ugw s PHE 86 Cb -0.10 -1.96 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 1ugw s PHE 86 CO -0.01 -0.75 -0.03 0.21 0.70 0.00 0.00 175.22 175.33 1ugw s LYS 87 N 1.32 3.57 0.43 0.44 2.20 -0.26 0.75 119.74 128.19 1ugw s LYS 87 Ca 0.05 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1ugw s LYS 87 Cb -0.13 -2.97 0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1ugw s LYS 87 CO -0.11 0.07 0.32 0.25 -0.36 0.00 0.00 175.35 175.52 1ugw n THR 88 N 4.04 0.00 1.22 3.43 -2.24 0.84 0.01 114.28 121.58 1ugw n THR 88 Ca -0.17 -1.72 0.12 0.00 -2.27 0.00 0.00 64.05 60.00 1ugw n THR 88 Cb 0.52 -0.12 0.63 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.03 3.42 6.94 -1.06 -3.72 115.26 118.94 1ugw n ASN 89 Ca -0.02 -0.17 -0.04 0.00 -0.02 0.00 0.00 54.58 54.33 1ugw n ASN 89 Cb 0.49 -0.24 -0.04 0.00 -2.36 0.00 0.00 39.78 37.63 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 -1.24 1.53 -3.88 -3.83 5.02 -1.26 -5.06 118.16 109.43 1ugw n LYS 90 Ca 0.13 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 1ugw n LYS 90 Cb 0.18 -1.14 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.14 1.93 -0.15 1.97 1.02 -1.24 -5.15 119.74 115.98 1ugw s LYS 91 Ca -0.06 -1.27 -0.00 0.00 0.02 0.00 0.00 55.97 54.65 1ugw s LYS 91 Cb 0.02 0.58 -0.01 0.00 -0.52 0.00 0.00 37.83 37.90 1ugw s LYS 91 CO 0.19 -0.88 -0.14 0.99 -0.92 0.00 0.00 175.35 174.60 1ugw s THR 92 N -3.25 2.82 -0.26 2.17 2.01 -1.26 -0.11 115.64 117.76 1ugw s THR 92 Ca 0.16 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.38 1ugw s THR 92 Cb -0.04 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 1ugw s THR 92 CO 0.10 0.51 0.04 -0.31 -0.69 0.00 0.00 174.62 174.27 1ugw s TYR 93 N 0.69 3.08 0.00 4.92 1.51 0.23 -4.98 117.35 122.80 1ugw s TYR 93 Ca -0.07 -0.90 0.00 0.00 -1.01 0.00 0.00 57.07 55.09 1ugw s TYR 93 Cb -0.16 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1ugw s TYR 93 CO 0.02 -0.54 0.00 0.41 -1.11 0.00 0.00 175.55 174.33 1ugw n GLY 94 N 4.85 -0.21 3.77 0.71 0.00 -1.26 -0.27 105.19 112.77 1ugw n GLY 94 Ca -0.16 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.24 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 3.72 -0.20 1.61 0.04 -1.26 -4.97 135.00 133.94 1ugw s PRO 95 Ca 0.00 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1ugw s PRO 95 Cb 0.00 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1ugw s PRO 95 CO 0.00 -0.60 -0.08 0.71 0.04 0.00 0.00 177.00 177.07 1ugw s TYR 96 N -1.52 2.91 0.00 0.56 2.02 -0.38 -4.97 117.35 115.97 1ugw s TYR 96 Ca 0.64 -0.95 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1ugw s TYR 96 Cb -0.30 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 1ugw s TYR 96 CO 0.36 -0.50 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 1ugw n GLY 97 N 4.49 0.08 3.29 0.71 0.00 -1.26 -1.94 105.19 110.55 1ugw n GLY 97 Ca -0.19 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 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 2.90 -1.30 1.61 1.01 -0.86 -4.85 120.40 118.91 1ugw s VAL 98 Ca 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1ugw s VAL 98 Cb 0.00 -2.25 0.14 0.00 0.00 0.00 0.00 36.38 34.28 1ugw s VAL 98 CO 0.00 0.50 2.20 0.35 0.00 0.00 0.00 175.10 178.15 1ugw n THR 99 N 4.13 5.00 -4.66 3.92 -2.24 -1.26 -3.95 114.28 115.23 1ugw n THR 99 Ca -0.19 -4.42 -0.23 0.00 -2.27 0.00 0.00 64.05 56.94 1ugw n THR 99 Cb 0.52 -2.15 -0.15 0.00 -2.10 0.00 0.00 70.33 66.45 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 0.41 1.86 0.00 3.42 0.15 -1.26 -5.06 113.70 113.23 1ugw s SER 100 Ca 0.49 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1ugw s SER 100 Cb 0.16 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1ugw s SER 100 CO -0.06 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1ugw n GLY 101 N 2.48 0.18 3.60 9.45 0.00 -1.26 -4.54 105.19 115.10 1ugw n GLY 101 Ca -0.15 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 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 5.27 0.62 2.61 2.01 0.09 -4.89 115.64 121.35 1ugw s THR 102 Ca 0.00 0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 1ugw s THR 102 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1ugw s THR 102 CO 0.00 0.28 1.03 -2.16 -0.69 0.00 0.00 174.62 173.08 1ugw s PRO 103 N 1.53 3.53 0.03 4.92 0.04 -1.26 -1.09 135.00 142.70 1ugw s PRO 103 Ca 0.07 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 61.79 1ugw s PRO 103 Cb -0.15 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1ugw s PRO 103 CO 0.09 -0.62 0.31 -0.59 0.04 0.00 0.00 177.00 176.23 1ugw s PHE 104 N -3.06 -0.13 -0.21 0.56 -0.12 -0.41 -4.92 117.98 109.69 1ugw s PHE 104 Ca 0.56 0.05 -0.23 0.00 -0.05 0.00 0.00 56.93 57.26 1ugw s PHE 104 Cb -0.11 0.10 0.06 0.00 -0.63 0.00 0.00 43.02 42.44 1ugw s PHE 104 CO 0.50 -0.49 0.63 0.54 -0.05 0.00 0.00 175.22 176.36 1ugw s ASN 105 N -1.91 -0.65 -0.39 1.98 4.22 -1.26 -1.22 114.94 115.72 1ugw s ASN 105 Ca -0.07 1.17 0.02 0.00 -2.14 0.00 0.00 52.86 51.84 1ugw s ASN 105 Cb -0.02 1.17 0.11 0.00 1.28 0.00 0.00 41.25 43.80 1ugw s ASN 105 CO -0.02 -0.28 0.15 -0.22 -2.04 0.00 0.00 177.10 174.70 1ugw s LEU 106 N 0.09 3.33 0.18 3.54 2.96 0.18 -4.98 118.68 123.99 1ugw s LEU 106 Ca -0.02 -2.26 -0.18 0.00 -0.22 0.00 0.00 54.13 51.45 1ugw s LEU 106 Cb -0.04 -1.23 -0.08 0.00 0.50 0.00 0.00 46.19 45.35 1ugw s LEU 106 CO 0.02 -0.34 0.64 -2.84 -1.32 0.00 0.00 176.35 172.52 1ugw s PRO 107 N 0.78 4.14 -0.16 0.98 0.02 -1.26 -1.77 135.00 137.73 1ugw s PRO 107 Ca 0.13 0.71 0.02 0.00 0.02 0.00 0.00 61.00 61.88 1ugw s PRO 107 Cb -0.21 -2.93 0.02 0.00 0.02 0.00 0.00 34.50 31.40 1ugw s PRO 107 CO -0.10 0.45 -0.20 0.42 -0.33 0.00 0.00 177.00 177.24 1ugw s ILE 108 N -1.47 2.03 -0.05 2.83 1.01 0.74 -4.98 121.20 121.31 1ugw s ILE 108 Ca 0.40 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 1ugw s ILE 108 Cb -0.16 -1.82 -0.30 0.00 0.01 0.00 0.00 42.46 40.19 1ugw s ILE 108 CO 0.20 0.54 0.64 -0.33 0.00 0.00 0.00 174.94 175.99 1ugw h GLU 109 N 7.70 0.35 -2.99 2.79 5.08 -1.98 -3.46 114.58 122.07 1ugw h GLU 109 Ca -0.40 -0.60 -0.22 0.00 -1.00 0.00 0.00 59.36 57.14 1ugw h GLU 109 Cb 1.16 0.23 -0.31 0.00 0.50 0.00 0.00 28.75 30.32 1ugw h GLU 109 CO 0.60 1.27 -0.52 1.21 -1.00 0.00 0.00 179.01 180.56 1ugw s ASN 110 N -7.20 0.06 0.00 1.42 3.04 -1.26 -5.12 114.94 105.87 1ugw s ASN 110 Ca -0.16 0.51 0.00 0.00 0.04 0.00 0.00 52.86 53.25 1ugw s ASN 110 Cb 0.06 0.48 0.00 0.00 -1.54 0.00 0.00 41.25 40.24 1ugw s ASN 110 CO 0.84 -0.20 0.00 0.61 -3.04 0.00 0.00 177.10 175.31 1ugw n GLY 111 N 4.72 1.05 3.02 1.21 0.00 -1.26 -4.99 105.19 108.94 1ugw n GLY 111 Ca -0.17 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.57 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 2.16 -0.12 0.99 1.43 0.11 -4.97 118.68 118.27 1ugw s LEU 112 Ca 0.00 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.31 1ugw s LEU 112 Cb 0.00 0.22 -0.02 0.00 0.03 0.00 0.00 46.19 46.42 1ugw s LEU 112 CO 0.00 -0.37 0.81 -0.63 0.23 0.00 0.00 176.35 176.40 1ugw s ILE 113 N -1.87 4.92 -0.01 -0.59 -1.09 -1.26 -1.19 121.20 120.11 1ugw s ILE 113 Ca -0.12 1.63 0.01 0.00 -2.23 0.00 0.00 60.65 59.94 1ugw s ILE 113 Cb -0.07 -4.13 0.02 0.00 -1.58 0.00 0.00 42.46 36.70 1ugw s ILE 113 CO -0.02 0.10 0.86 1.33 -1.23 0.00 0.00 174.94 175.98 1ugw n VAL 114 N 4.38 0.74 0.00 2.92 0.24 0.18 -4.52 118.33 122.27 1ugw n VAL 114 Ca 0.03 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1ugw n VAL 114 Cb 0.50 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 1ugw n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ugw n GLY 115 N -0.40 0.74 3.11 7.63 0.00 -1.24 -0.15 105.19 114.89 1ugw n GLY 115 Ca 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1ugw n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugw s PHE 116 N -2.00 0.85 0.04 1.61 0.08 -1.25 -0.94 117.98 116.37 1ugw s PHE 116 Ca 0.00 -0.56 -0.12 0.00 0.12 0.00 0.00 56.93 56.38 1ugw s PHE 116 Cb 0.00 -0.49 0.01 0.00 -0.57 0.00 0.00 43.02 41.97 1ugw s PHE 116 CO 0.00 -0.05 0.25 -1.59 -0.10 0.00 0.00 175.22 173.73 1ugw s LYS 117 N -2.01 0.76 0.00 0.44 -2.85 -0.94 -1.35 119.74 113.79 1ugw s LYS 117 Ca -0.04 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 1ugw s LYS 117 Cb -0.07 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1ugw s LYS 117 CO 0.00 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.63 1ugw n GLY 118 N 0.61 -0.73 3.43 0.59 0.00 -0.08 -0.38 105.19 108.63 1ugw n GLY 118 Ca -0.19 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.55 -0.04 1.61 0.15 -0.79 -0.56 113.70 109.51 1ugw s SER 119 Ca 0.00 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1ugw s SER 119 Cb 0.00 1.07 0.03 0.00 -1.71 0.00 0.00 66.02 65.41 1ugw s SER 119 CO 0.00 -0.20 -0.01 -0.63 1.20 0.00 0.00 173.24 173.60 1ugw s ILE 120 N 0.22 0.34 0.00 6.45 1.01 -0.70 -0.30 121.20 128.22 1ugw s ILE 120 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1ugw s ILE 120 Cb -0.04 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1ugw s ILE 120 CO 0.01 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1ugw n GLY 121 N 4.38 1.20 0.19 6.18 0.00 -1.26 -0.82 105.19 115.07 1ugw n GLY 121 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.13 1.61 0.05 -1.95 -0.33 116.97 112.87 1ugw h TYR 122 Ca 0.00 -0.26 -0.37 0.00 0.05 0.00 0.00 58.73 58.15 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 1.01 -0.58 -1.58 -1.05 0.00 0.00 178.16 175.96 1ugw s TRP 123 N -3.79 1.51 -0.32 4.88 0.51 -1.26 -4.45 118.94 116.02 1ugw s TRP 123 Ca -0.07 -1.36 -0.28 0.00 -2.12 0.00 0.00 56.10 52.27 1ugw s TRP 123 Cb 0.11 -0.79 -0.02 0.00 -0.81 0.00 0.00 33.47 31.96 1ugw s TRP 123 CO 0.84 -0.54 1.82 -1.17 -0.51 0.00 0.00 176.95 177.39 1ugw s LEU 124 N -3.32 3.51 0.00 2.99 2.96 -0.46 -4.40 118.68 119.96 1ugw s LEU 124 Ca 0.37 1.35 -0.23 0.00 -0.22 0.00 0.00 54.13 55.41 1ugw s LEU 124 Cb 0.06 -3.52 -0.18 0.00 0.50 0.00 0.00 46.19 43.04 1ugw s LEU 124 CO 0.16 -1.71 1.24 0.44 -1.32 0.00 0.00 176.35 175.17 1ugw h ASP 125 N 12.93 0.26 -4.99 3.68 3.32 -0.96 0.07 116.42 130.73 1ugw h ASP 125 Ca -0.34 -0.57 0.14 0.00 0.02 0.00 0.00 57.03 56.28 1ugw h ASP 125 Cb 1.17 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 40.53 1ugw h ASP 125 CO 1.02 0.78 0.48 -0.72 -1.72 0.00 0.00 179.24 179.08 1ugw s TYR 126 N -3.96 -0.25 0.10 4.55 -0.85 -1.22 -4.23 117.35 111.49 1ugw s TYR 126 Ca -0.15 0.02 -0.20 0.00 -0.52 0.00 0.00 57.07 56.22 1ugw s TYR 126 Cb 0.03 0.59 0.05 0.00 0.38 0.00 0.00 41.96 43.01 1ugw s TYR 126 CO 0.73 -0.69 0.49 -0.59 -1.52 0.00 0.00 175.55 173.97 1ugw s PHE 127 N -3.22 -0.37 0.15 -3.49 -0.71 -1.26 -1.89 117.98 107.18 1ugw s PHE 127 Ca 0.08 0.24 0.03 0.00 -1.04 0.00 0.00 56.93 56.24 1ugw s PHE 127 Cb -0.01 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 1ugw s PHE 127 CO -0.04 -0.70 -0.05 -1.12 -1.34 0.00 0.00 175.22 171.97 1ugw s SER 128 N -2.41 1.44 0.01 1.98 0.01 0.49 -4.97 113.70 110.25 1ugw s SER 128 Ca -0.01 -1.07 0.05 0.00 1.31 0.00 0.00 55.95 56.22 1ugw s SER 128 Cb 0.00 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 1ugw s SER 128 CO -0.08 -0.45 -0.15 -0.04 0.41 0.00 0.00 173.24 172.93 1ugw s MET 129 N -3.83 1.14 -0.04 12.44 -1.94 -1.26 -2.22 119.30 123.59 1ugw s MET 129 Ca 0.18 -0.61 -0.20 0.00 -1.71 0.00 0.00 55.69 53.35 1ugw s MET 129 Cb 0.05 -1.12 -0.05 0.00 2.01 0.00 0.00 34.83 35.71 1ugw s MET 129 CO 0.00 0.30 0.56 0.71 -0.01 0.00 0.00 175.02 176.59 1ugw s TYR 130 N -0.50 3.63 0.04 -0.03 1.51 -0.12 -4.98 117.35 116.90 1ugw s TYR 130 Ca 0.05 1.11 0.09 0.00 -1.01 0.00 0.00 57.07 57.30 1ugw s TYR 130 Cb -0.06 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 1ugw s TYR 130 CO 0.00 0.29 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.97 1ugw s LEU 131 N 0.07 2.17 0.20 -1.29 1.43 -1.26 -0.65 118.68 119.35 1ugw s LEU 131 Ca 0.30 -0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 1ugw s LEU 131 Cb -0.17 -1.24 0.04 0.00 0.03 0.00 0.00 46.19 44.85 1ugw s LEU 131 CO 0.15 0.24 0.59 -0.55 0.23 0.00 0.00 176.35 177.01 1ugw s SER 132 N -1.23 -0.36 0.00 2.29 0.15 -0.33 -4.93 113.70 109.29 1ugw s SER 132 Ca 0.11 -0.35 0.29 0.00 0.70 0.00 0.00 55.95 56.70 1ugw s SER 132 Cb -0.10 0.62 1.26 0.00 -1.71 0.00 0.00 66.02 66.09 1ugw s SER 132 CO 0.02 -1.09 1.86 0.18 1.20 0.00 0.00 173.24 175.42