#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugy s LYS 2 N 0.00 3.66 0.60 1.61 2.20 -0.04 -4.81 119.74 122.96 1ugy s LYS 2 Ca 0.00 -0.51 -0.17 0.00 -0.36 0.00 0.00 55.97 54.93 1ugy s LYS 2 Cb 0.00 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1ugy s LYS 2 CO 0.00 -0.29 1.11 0.00 -0.36 0.00 0.00 175.35 175.81 1ugy s ALA 3 N 1.69 2.61 0.03 3.13 0.00 -1.26 -2.44 121.76 125.52 1ugy s ALA 3 Ca 0.06 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 1ugy s ALA 3 Cb -0.16 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1ugy s ALA 3 CO 0.08 -0.98 0.22 -0.59 0.00 0.00 0.00 175.76 174.50 1ugy s PHE 4 N -2.12 0.01 -0.25 0.00 -0.71 0.17 -4.96 117.98 110.13 1ugy s PHE 4 Ca 0.69 -0.18 -0.02 0.00 -1.04 0.00 0.00 56.93 56.38 1ugy s PHE 4 Cb -0.21 0.00 0.12 0.00 -1.21 0.00 0.00 43.02 41.72 1ugy s PHE 4 CO 0.34 -0.43 0.29 0.34 -1.34 0.00 0.00 175.22 174.42 1ugy s ASP 5 N -1.98 1.21 0.24 1.98 -1.08 -1.26 -1.07 116.67 114.71 1ugy s ASP 5 Ca -0.06 -0.34 0.07 0.00 -0.52 0.00 0.00 52.55 51.70 1ugy s ASP 5 Cb -0.02 0.62 0.24 0.00 -1.46 0.00 0.00 42.92 42.30 1ugy s ASP 5 CO -0.03 -0.35 1.55 0.44 0.52 0.00 0.00 175.17 177.30 1ugy h ASP 6 N 8.26 0.14 -4.70 -0.34 3.32 -1.60 -3.49 116.42 118.00 1ugy h ASP 6 Ca -0.16 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1ugy h ASP 6 Cb 1.12 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1ugy h ASP 6 CO 0.30 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 179.19 1ugy n GLY 7 N 0.38 -2.35 3.84 2.75 0.00 -1.25 -4.95 105.19 103.61 1ugy n GLY 7 Ca -0.02 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 1ugy n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ugy s ALA 8 N -1.51 3.75 0.00 4.61 0.00 -1.26 -3.97 121.76 123.38 1ugy s ALA 8 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1ugy s ALA 8 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1ugy s ALA 8 CO 0.00 0.67 0.00 1.19 0.00 0.00 0.00 175.76 177.62 1ugy n PHE 9 N 1.54 0.00 0.16 0.00 3.01 0.85 -4.98 117.46 118.05 1ugy n PHE 9 Ca -0.16 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.42 1ugy n PHE 9 Cb 0.54 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.99 1ugy n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ugy n THR 10 N 0.00 0.47 -3.04 4.37 -1.04 -0.41 -4.85 114.28 109.78 1ugy n THR 10 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1ugy n THR 10 Cb 0.00 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1ugy n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ugy n GLY 11 N 1.22 -1.34 3.02 3.41 0.00 -1.15 -4.91 105.19 105.45 1ugy n GLY 11 Ca -0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 1ugy n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugy s ILE 12 N -2.90 1.20 -0.19 -0.61 1.01 -1.26 -1.66 121.20 116.77 1ugy s ILE 12 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.23 1ugy s ILE 12 Cb 0.00 -1.10 -0.17 0.00 0.01 0.00 0.00 42.46 41.20 1ugy s ILE 12 CO 0.00 0.37 -0.08 0.54 0.00 0.00 0.00 174.94 175.77 1ugy n ARG 13 N 3.93 0.88 -3.60 2.79 1.74 0.20 -4.83 116.66 117.78 1ugy n ARG 13 Ca -0.22 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.79 1ugy n ARG 13 Cb 0.52 -1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 30.47 1ugy n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ugy s GLU 14 N -2.41 0.81 -0.13 5.56 2.12 -0.75 -1.76 118.70 122.14 1ugy s GLU 14 Ca -0.19 0.67 0.03 0.00 0.36 0.00 0.00 54.97 55.83 1ugy s GLU 14 Cb 0.06 0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.85 1ugy s GLU 14 CO 0.57 -0.16 -0.22 0.42 -0.54 0.00 0.00 175.26 175.33 1ugy s ILE 15 N -0.17 2.07 -0.22 -3.70 -1.09 -0.33 -0.28 121.20 117.48 1ugy s ILE 15 Ca -0.02 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.40 1ugy s ILE 15 Cb -0.03 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 39.04 1ugy s ILE 15 CO 0.02 0.55 -0.10 0.20 -1.23 0.00 0.00 174.94 174.38 1ugy s ASN 16 N 0.73 3.94 0.14 3.58 0.01 0.16 -0.13 114.94 123.36 1ugy s ASN 16 Ca -0.09 -0.67 -0.02 0.00 -0.71 0.00 0.00 52.86 51.37 1ugy s ASN 16 Cb -0.16 -1.63 -0.04 0.00 0.41 0.00 0.00 41.25 39.84 1ugy s ASN 16 CO 0.00 -0.06 0.09 -1.48 -1.51 0.00 0.00 177.10 174.14 1ugy s LEU 17 N 1.36 1.65 0.04 0.60 0.05 -0.76 -0.33 118.68 121.29 1ugy s LEU 17 Ca 0.03 -1.17 0.02 0.00 0.05 0.00 0.00 54.13 53.07 1ugy s LEU 17 Cb -0.15 0.41 -0.02 0.00 -2.05 0.00 0.00 46.19 44.38 1ugy s LEU 17 CO -0.07 -0.75 -0.08 -0.94 -0.55 0.00 0.00 176.35 173.96 1ugy s SER 18 N -3.04 0.93 0.27 1.48 1.04 -0.93 0.21 113.70 113.67 1ugy s SER 18 Ca 0.24 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1ugy s SER 18 Cb 0.07 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1ugy s SER 18 CO 0.02 -0.19 0.25 -0.72 0.98 0.00 0.00 173.24 173.59 1ugy s TYR 19 N -1.35 1.35 -0.04 5.02 1.13 -0.28 0.66 117.35 123.85 1ugy s TYR 19 Ca -0.09 -1.45 -0.01 0.00 -1.41 0.00 0.00 57.07 54.11 1ugy s TYR 19 Cb -0.10 -0.52 0.03 0.00 -1.10 0.00 0.00 41.96 40.27 1ugy s TYR 19 CO 0.01 -0.82 0.05 1.21 -2.51 0.00 0.00 175.55 173.48 1ugy s ASN 20 N -3.25 0.87 0.00 -0.18 3.84 -0.98 0.67 114.94 115.90 1ugy s ASN 20 Ca 0.38 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.50 1ugy s ASN 20 Cb 0.04 -0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.59 1ugy s ASN 20 CO 0.19 -0.21 0.77 0.29 -2.79 0.00 0.00 177.10 175.35 1ugy n LYS 21 N 4.95 0.00 -0.00 0.43 5.02 -1.26 -1.71 118.16 125.59 1ugy n LYS 21 Ca -0.11 0.29 0.03 0.00 -2.02 0.00 0.00 58.31 56.51 1ugy n LYS 21 Cb 0.50 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1ugy n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ugy n GLU 22 N -1.27 3.86 0.00 1.97 1.02 -1.26 -4.78 120.64 120.19 1ugy n GLU 22 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ugy n GLU 22 Cb 0.05 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1ugy n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ugy n THR 23 N -1.28 0.00 -2.18 2.62 -2.24 -0.69 -5.08 114.28 105.43 1ugy n THR 23 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ugy n THR 23 Cb 0.12 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1ugy n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ugy n ALA 24 N -3.00 0.00 -2.41 6.98 0.00 -1.24 -4.63 120.51 116.21 1ugy n ALA 24 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ugy n ALA 24 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ugy n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ugy s ILE 25 N -2.95 4.49 0.00 0.00 1.01 -1.08 -2.31 121.20 120.35 1ugy s ILE 25 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1ugy s ILE 25 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1ugy s ILE 25 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1ugy n GLY 26 N 2.57 0.13 3.90 6.18 0.00 0.21 -1.35 105.19 116.83 1ugy n GLY 26 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1ugy n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ugy s ASP 27 N -1.00 5.97 -0.22 1.61 1.01 -1.24 -4.28 116.67 118.52 1ugy s ASP 27 Ca 0.00 1.05 -0.09 0.00 0.71 0.00 0.00 52.55 54.22 1ugy s ASP 27 Cb 0.00 -2.13 0.09 0.00 1.01 0.00 0.00 42.92 41.89 1ugy s ASP 27 CO 0.00 -0.89 0.50 0.12 0.21 0.00 0.00 175.17 175.10 1ugy s PHE 28 N -3.02 -0.89 -0.09 4.23 5.36 -0.52 -2.19 117.98 120.86 1ugy s PHE 28 Ca 0.53 1.71 -0.10 0.00 -0.96 0.00 0.00 56.93 58.11 1ugy s PHE 28 Cb -0.11 0.44 0.02 0.00 -0.34 0.00 0.00 43.02 43.04 1ugy s PHE 28 CO 0.49 -0.49 0.27 -1.14 -1.46 0.00 0.00 175.22 172.88 1ugy s GLN 29 N 2.24 0.35 -0.03 10.12 0.74 0.55 -2.04 119.66 131.59 1ugy s GLN 29 Ca -0.06 0.30 0.06 0.00 0.05 0.00 0.00 55.36 55.71 1ugy s GLN 29 Cb -0.10 0.17 -0.01 0.00 1.10 0.00 0.00 33.01 34.16 1ugy s GLN 29 CO -0.15 -0.05 -0.22 0.08 -0.55 0.00 0.00 175.29 174.40 1ugy s VAL 30 N -0.04 1.72 -0.40 1.34 1.01 -1.26 -0.67 120.40 122.11 1ugy s VAL 30 Ca -0.02 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1ugy s VAL 30 Cb -0.02 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.97 1ugy s VAL 30 CO 0.01 0.49 0.23 -0.69 0.00 0.00 0.00 175.10 175.14 1ugy s VAL 31 N -0.37 4.35 0.77 2.92 1.01 0.61 -0.58 120.40 129.12 1ugy s VAL 31 Ca 0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1ugy s VAL 31 Cb -0.10 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.87 1ugy s VAL 31 CO 0.00 -0.39 1.06 -0.31 0.00 0.00 0.00 175.10 175.47 1ugy s TYR 32 N 1.48 1.40 -0.08 5.22 1.51 0.35 -0.63 117.35 126.59 1ugy s TYR 32 Ca 0.02 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1ugy s TYR 32 Cb -0.21 -3.17 -0.02 0.00 -0.11 0.00 0.00 41.96 38.45 1ugy s TYR 32 CO 0.04 -1.94 -0.14 0.34 -1.11 0.00 0.00 175.55 172.73 1ugy s ASP 33 N -4.80 3.99 -0.39 2.29 2.15 -0.67 -0.63 116.67 118.61 1ugy s ASP 33 Ca 0.69 -0.26 0.02 0.00 0.43 0.00 0.00 52.55 53.43 1ugy s ASP 33 Cb -0.04 -1.16 0.11 0.00 -0.30 0.00 0.00 42.92 41.53 1ugy s ASP 33 CO 0.46 0.27 0.15 -0.22 -0.17 0.00 0.00 175.17 175.65 1ugy s LEU 34 N -0.27 3.64 -1.41 -1.34 2.96 0.10 -1.29 118.68 121.08 1ugy s LEU 34 Ca 0.02 -2.32 -0.05 0.00 -0.22 0.00 0.00 54.13 51.55 1ugy s LEU 34 Cb -0.13 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.27 1ugy s LEU 34 CO 0.03 -0.33 0.76 0.59 -1.32 0.00 0.00 176.35 176.08 1ugy n ASN 35 N 4.00 -2.34 0.00 3.68 5.03 -1.26 -1.94 115.26 122.43 1ugy n ASN 35 Ca 0.04 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.65 1ugy n ASN 35 Cb 0.38 -3.82 0.00 0.00 -1.02 0.00 0.00 39.78 35.32 1ugy n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ugy n GLY 36 N -1.67 1.30 3.48 7.41 0.00 -1.26 -5.05 105.19 109.41 1ugy n GLY 36 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1ugy n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugy s SER 37 N -2.47 4.12 0.31 1.61 0.15 -0.82 -5.10 113.70 111.51 1ugy s SER 37 Ca 0.00 -0.19 -0.29 0.00 0.70 0.00 0.00 55.95 56.17 1ugy s SER 37 Cb 0.00 -1.03 -0.10 0.00 -1.71 0.00 0.00 66.02 63.18 1ugy s SER 37 CO 0.00 0.32 1.43 -2.84 1.20 0.00 0.00 173.24 173.34 1ugy s PRO 38 N -0.56 4.24 -0.17 5.44 0.02 -1.26 0.01 135.00 142.72 1ugy s PRO 38 Ca 0.08 2.37 -0.01 0.00 0.02 0.00 0.00 61.00 63.47 1ugy s PRO 38 Cb -0.12 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.39 1ugy s PRO 38 CO 0.01 -0.40 -0.05 -0.47 -0.33 0.00 0.00 177.00 175.77 1ugy s TYR 39 N -0.64 1.67 -0.36 6.54 6.14 0.20 -4.81 117.35 126.08 1ugy s TYR 39 Ca 0.55 -1.07 -0.29 0.00 0.64 0.00 0.00 57.07 56.90 1ugy s TYR 39 Cb -0.43 -1.30 0.02 0.00 0.42 0.00 0.00 41.96 40.67 1ugy s TYR 39 CO 0.52 -0.61 1.16 0.08 0.64 0.00 0.00 175.55 177.34 1ugy s VAL 40 N 1.64 4.32 0.72 3.14 1.01 -1.26 -0.50 120.40 129.47 1ugy s VAL 40 Ca 0.01 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 1ugy s VAL 40 Cb -0.15 -4.39 0.02 0.00 0.00 0.00 0.00 36.38 31.86 1ugy s VAL 40 CO -0.08 -0.62 1.07 -0.83 0.00 0.00 0.00 175.10 174.65 1ugy s GLY 41 N 2.23 1.71 0.53 4.51 0.00 0.26 -4.97 107.32 111.58 1ugy s GLY 41 Ca 0.49 0.18 -0.22 0.00 0.00 0.00 0.00 44.72 45.18 1ugy s GLY 41 CO 0.22 0.50 1.28 1.62 0.00 0.00 0.00 173.10 176.72 1ugy s GLN 42 N -4.92 3.27 -0.36 2.90 0.74 -1.26 -4.65 119.66 115.38 1ugy s GLN 42 Ca 0.60 2.05 -0.22 0.00 0.05 0.00 0.00 55.36 57.83 1ugy s GLN 42 Cb -0.15 -2.24 0.01 0.00 1.10 0.00 0.00 33.01 31.72 1ugy s GLN 42 CO 0.54 -1.03 0.71 1.21 -0.55 0.00 0.00 175.29 176.18 1ugy s ASN 43 N -1.17 6.50 -0.64 6.67 2.47 -1.26 -4.56 114.94 122.95 1ugy s ASN 43 Ca 0.70 0.28 -0.19 0.00 0.42 0.00 0.00 52.86 54.07 1ugy s ASN 43 Cb -0.36 -2.36 0.10 0.00 -1.45 0.00 0.00 41.25 37.18 1ugy s ASN 43 CO 0.42 -0.66 0.79 -1.00 -3.72 0.00 0.00 177.10 172.93 1ugy s HIS 44 N 2.90 2.97 0.19 0.43 3.76 -0.87 -5.01 115.29 119.66 1ugy s HIS 44 Ca 0.28 -0.95 -0.05 0.00 -0.15 0.00 0.00 55.06 54.19 1ugy s HIS 44 Cb -0.14 -4.09 -0.06 0.00 1.11 0.00 0.00 32.58 29.41 1ugy s HIS 44 CO 0.16 -1.37 0.44 0.14 -0.85 0.00 0.00 174.74 173.25 1ugy s VAL 45 N 2.87 5.10 0.74 -0.90 -7.23 -1.26 -1.44 120.40 118.29 1ugy s VAL 45 Ca 0.15 0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.29 1ugy s VAL 45 Cb -0.21 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.11 1ugy s VAL 45 CO 0.05 -0.06 1.07 -0.55 -0.31 0.00 0.00 175.10 175.30 1ugy s SER 46 N -2.62 4.94 0.36 4.85 0.15 -1.26 -4.86 113.70 115.26 1ugy s SER 46 Ca 0.42 1.63 0.17 0.00 0.70 0.00 0.00 55.95 58.88 1ugy s SER 46 Cb -0.12 -2.43 0.62 0.00 -1.71 0.00 0.00 66.02 62.38 1ugy s SER 46 CO 0.25 -1.73 1.71 -0.26 1.20 0.00 0.00 173.24 174.42 1ugy h PHE 47 N -0.92 0.00 -5.30 3.44 0.04 -1.42 -3.46 116.94 109.33 1ugy h PHE 47 Ca -0.44 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 59.84 1ugy h PHE 47 Cb 1.23 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.32 1ugy h PHE 47 CO 0.58 0.41 -0.27 0.44 -0.60 0.00 0.00 178.31 178.87 1ugy n ILE 48 N -3.57 0.00 -3.81 -0.55 -5.35 -1.26 -5.06 119.36 99.75 1ugy n ILE 48 Ca -0.00 -1.81 0.00 0.00 -0.27 0.00 0.00 62.75 60.67 1ugy n ILE 48 Cb 0.53 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 1ugy n ILE 48 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ugy n THR 49 N -1.38 0.00 -0.27 7.28 -2.24 -1.26 -4.92 114.28 111.48 1ugy n THR 49 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ugy n THR 49 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1ugy n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugy n GLY 50 N 3.06 0.84 3.94 3.38 0.00 -1.26 -5.09 105.19 110.06 1ugy n GLY 50 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1ugy n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugy s PHE 51 N -2.00 3.45 -0.30 1.61 0.08 -1.26 -4.88 117.98 114.68 1ugy s PHE 51 Ca 0.00 0.37 -0.12 0.00 0.12 0.00 0.00 56.93 57.30 1ugy s PHE 51 Cb 0.00 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 1ugy s PHE 51 CO 0.00 -0.00 0.21 0.99 -0.10 0.00 0.00 175.22 176.32 1ugy s THR 52 N -2.40 5.30 0.44 0.64 2.01 0.21 -4.84 115.64 117.01 1ugy s THR 52 Ca 0.42 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.24 1ugy s THR 52 Cb -0.10 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 1ugy s THR 52 CO 0.37 0.15 1.00 -2.16 -0.69 0.00 0.00 174.62 173.30 1ugy s PRO 53 N 1.75 4.06 -0.00 4.92 0.04 -1.26 -1.12 135.00 143.38 1ugy s PRO 53 Ca 0.07 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.41 1ugy s PRO 53 Cb -0.16 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1ugy s PRO 53 CO 0.11 -0.20 -0.02 0.08 0.04 0.00 0.00 177.00 177.01 1ugy s VAL 54 N -1.98 0.18 -0.14 -0.36 1.01 0.13 -4.95 120.40 114.28 1ugy s VAL 54 Ca 0.63 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1ugy s VAL 54 Cb -0.15 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1ugy s VAL 54 CO 0.19 0.06 -0.18 -0.75 0.00 0.00 0.00 175.10 174.42 1ugy s LYS 55 N 0.02 2.61 -0.48 2.72 2.20 -1.26 -1.83 119.74 123.71 1ugy s LYS 55 Ca 0.00 -0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1ugy s LYS 55 Cb -0.02 -2.23 0.13 0.00 -1.51 0.00 0.00 37.83 34.20 1ugy s LYS 55 CO -0.00 -0.12 0.29 0.42 -0.36 0.00 0.00 175.35 175.57 1ugy s ILE 56 N 1.13 3.44 -0.44 5.43 1.01 0.81 -4.99 121.20 127.58 1ugy s ILE 56 Ca -0.01 -2.37 -0.19 0.00 0.00 0.00 0.00 60.65 58.07 1ugy s ILE 56 Cb -0.14 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.04 1ugy s ILE 56 CO -0.06 -0.76 0.56 -0.44 0.00 0.00 0.00 174.94 174.24 1ugy s SER 57 N 1.43 6.26 0.32 3.58 0.01 -1.26 -1.19 113.70 122.86 1ugy s SER 57 Ca 0.11 -0.57 -0.17 0.00 1.31 0.00 0.00 55.95 56.63 1ugy s SER 57 Cb -0.22 -2.28 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 1ugy s SER 57 CO -0.04 -0.73 0.78 -0.76 0.41 0.00 0.00 173.24 172.90 1ugy s LEU 58 N 2.53 4.10 -1.39 2.44 1.43 -0.72 -4.96 118.68 122.11 1ugy s LEU 58 Ca 0.17 1.39 -0.10 0.00 -1.03 0.00 0.00 54.13 54.56 1ugy s LEU 58 Cb -0.16 -4.08 0.08 0.00 0.03 0.00 0.00 46.19 42.07 1ugy s LEU 58 CO 0.16 -0.19 2.21 -0.67 0.23 0.00 0.00 176.35 178.09 1ugy n ASP 59 N -0.20 5.62 -4.77 2.29 2.03 -1.26 -4.86 116.55 115.40 1ugy n ASP 59 Ca 0.03 -2.96 -0.41 0.00 0.52 0.00 0.00 54.79 51.98 1ugy n ASP 59 Cb 0.53 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.39 1ugy n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ugy s PHE 60 N 1.31 2.72 -2.86 -0.67 5.36 -1.26 -1.68 117.98 120.90 1ugy s PHE 60 Ca 0.48 1.14 0.25 0.00 -0.96 0.00 0.00 56.93 57.84 1ugy s PHE 60 Cb 0.13 -3.96 0.39 0.00 -0.34 0.00 0.00 43.02 39.25 1ugy s PHE 60 CO -0.05 -2.87 1.38 -0.35 -1.46 0.00 0.00 175.22 171.87 1ugy n PRO 61 N 0.90 2.19 0.17 10.12 -0.04 -1.26 -4.88 135.00 142.20 1ugy n PRO 61 Ca 0.02 -1.73 0.02 0.00 -0.04 0.00 0.00 63.50 61.78 1ugy n PRO 61 Cb 0.39 -1.47 0.31 0.00 -0.04 0.00 0.00 33.50 32.69 1ugy n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ugy h SER 62 N 4.16 0.00 -3.35 3.54 4.64 -1.87 -3.42 113.55 117.25 1ugy h SER 62 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1ugy h SER 62 Cb 0.88 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.79 1ugy h SER 62 CO 0.00 0.45 -0.64 -0.70 -0.87 0.00 0.00 176.83 175.07 1ugy s GLU 63 N -3.89 3.38 0.07 4.77 2.12 -0.67 -4.95 118.70 119.53 1ugy s GLU 63 Ca -0.02 -0.47 -0.17 0.00 0.36 0.00 0.00 54.97 54.68 1ugy s GLU 63 Cb 0.13 -2.87 0.03 0.00 0.26 0.00 0.00 34.13 31.68 1ugy s GLU 63 CO 0.73 0.44 0.39 1.52 -0.54 0.00 0.00 175.26 177.80 1ugy s TYR 64 N -0.17 -0.22 0.22 5.30 1.13 -1.26 -4.30 117.35 118.04 1ugy s TYR 64 Ca 0.04 0.08 -0.31 0.00 -1.41 0.00 0.00 57.07 55.47 1ugy s TYR 64 Cb -0.13 0.21 -0.10 0.00 -1.10 0.00 0.00 41.96 40.84 1ugy s TYR 64 CO 0.02 -0.61 1.54 0.42 -2.51 0.00 0.00 175.55 174.42 1ugy s ILE 65 N -2.94 2.49 -0.03 -3.49 -1.09 -1.26 -2.73 121.20 112.16 1ugy s ILE 65 Ca -0.02 0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.84 1ugy s ILE 65 Cb 0.00 -3.24 -0.10 0.00 -1.58 0.00 0.00 42.46 37.54 1ugy s ILE 65 CO -0.06 0.04 0.12 0.23 -1.23 0.00 0.00 174.94 174.04 1ugy n MET 66 N 3.15 1.01 -3.68 2.79 2.81 0.16 -4.80 117.12 118.56 1ugy n MET 66 Ca 0.11 -0.05 -0.14 0.00 -1.81 0.00 0.00 57.70 55.81 1ugy n MET 66 Cb 0.39 -1.17 -0.09 0.00 -0.71 0.00 0.00 33.22 31.64 1ugy n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ugy s GLU 67 N -2.39 0.66 -0.12 0.03 2.12 -0.88 0.03 118.70 118.15 1ugy s GLU 67 Ca -0.03 0.73 0.01 0.00 0.36 0.00 0.00 54.97 56.05 1ugy s GLU 67 Cb 0.04 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.77 1ugy s GLU 67 CO 0.28 -0.09 -0.15 0.08 -0.54 0.00 0.00 175.26 174.84 1ugy s VAL 68 N 0.21 1.55 0.19 3.70 1.01 -0.66 -1.25 120.40 125.14 1ugy s VAL 68 Ca -0.01 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1ugy s VAL 68 Cb -0.04 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1ugy s VAL 68 CO 0.01 0.45 0.02 -0.94 0.00 0.00 0.00 175.10 174.64 1ugy s SER 69 N 1.14 1.17 0.00 3.32 1.04 -0.96 0.23 113.70 119.65 1ugy s SER 69 Ca -0.03 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1ugy s SER 69 Cb -0.14 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1ugy s SER 69 CO -0.04 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1ugy n GLY 70 N -0.28 0.60 2.98 7.32 0.00 -0.17 -0.85 105.19 114.79 1ugy n GLY 70 Ca -0.05 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 1ugy n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugy s TYR 71 N -2.30 0.50 -0.05 1.61 1.51 -1.13 -1.78 117.35 115.71 1ugy s TYR 71 Ca 0.00 -0.16 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1ugy s TYR 71 Cb 0.00 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.51 1ugy s TYR 71 CO 0.00 -0.02 -0.17 0.95 -1.11 0.00 0.00 175.55 175.19 1ugy s THR 72 N -0.36 2.79 0.33 -0.71 -4.23 -0.11 -0.30 115.64 113.05 1ugy s THR 72 Ca -0.00 -0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 59.59 1ugy s THR 72 Cb -0.03 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.77 1ugy s THR 72 CO -0.00 0.58 0.61 0.61 -0.54 0.00 0.00 174.62 175.88 1ugy n GLY 73 N 2.47 1.40 3.75 3.99 0.00 -0.41 -0.53 105.19 115.86 1ugy n GLY 73 Ca -0.17 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 1ugy n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ugy s ASN 74 N -2.78 6.54 -0.10 1.61 2.47 -1.26 -1.06 114.94 120.36 1ugy s ASN 74 Ca 0.16 0.63 -0.03 0.00 0.42 0.00 0.00 52.86 54.04 1ugy s ASN 74 Cb -0.03 -2.21 0.05 0.00 -1.45 0.00 0.00 41.25 37.61 1ugy s ASN 74 CO 0.12 0.13 0.14 -0.69 -3.72 0.00 0.00 177.10 173.07 1ugy s VAL 75 N 0.21 -0.21 -1.48 -5.21 1.01 0.31 -4.86 120.40 110.15 1ugy s VAL 75 Ca 0.19 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1ugy s VAL 75 Cb -0.14 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1ugy s VAL 75 CO 0.07 0.04 0.72 -1.20 0.00 0.00 0.00 175.10 174.73 1ugy n SER 76 N 5.31 -5.71 0.00 3.32 7.64 -1.26 -1.60 113.62 121.32 1ugy n SER 76 Ca -0.05 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1ugy n SER 76 Cb 0.50 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 1ugy n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugy n GLY 77 N -1.57 0.82 3.45 0.23 0.00 -1.26 -5.03 105.19 101.83 1ugy n GLY 77 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1ugy n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugy s TYR 78 N -3.20 2.58 -0.22 1.61 2.02 -0.63 -5.10 117.35 114.41 1ugy s TYR 78 Ca 0.00 -0.25 -0.19 0.00 -0.37 0.00 0.00 57.07 56.26 1ugy s TYR 78 Cb 0.00 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1ugy s TYR 78 CO 0.00 0.22 0.58 0.08 -1.57 0.00 0.00 175.55 174.86 1ugy s VAL 79 N -0.87 5.05 0.20 0.71 1.01 -1.26 -0.53 120.40 124.70 1ugy s VAL 79 Ca 0.14 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1ugy s VAL 79 Cb -0.10 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1ugy s VAL 79 CO 0.04 0.11 0.21 0.68 0.00 0.00 0.00 175.10 176.13 1ugy s VAL 80 N 2.05 0.01 -0.51 2.92 -7.23 -0.22 -4.78 120.40 112.64 1ugy s VAL 80 Ca 0.25 -1.84 -0.28 0.00 -1.81 0.00 0.00 61.98 58.30 1ugy s VAL 80 Cb -0.16 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1ugy s VAL 80 CO 0.09 -0.04 1.10 -0.69 -0.31 0.00 0.00 175.10 175.25 1ugy s VAL 81 N -4.11 4.21 -0.19 1.32 1.01 0.43 -1.29 120.40 121.78 1ugy s VAL 81 Ca 0.34 0.98 0.17 0.00 0.00 0.00 0.00 61.98 63.47 1ugy s VAL 81 Cb 0.05 -4.60 0.04 0.00 0.00 0.00 0.00 36.38 31.87 1ugy s VAL 81 CO 0.10 -1.08 1.28 0.03 0.00 0.00 0.00 175.10 175.43 1ugy h ARG 82 N 9.30 0.00 -3.53 2.72 3.08 -0.94 -2.87 114.38 122.14 1ugy h ARG 82 Ca -0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 1ugy h ARG 82 Cb 1.06 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.98 1ugy h ARG 82 CO 1.12 0.34 -0.18 0.45 -1.07 0.00 0.00 179.97 180.64 1ugy s SER 83 N -6.16 -0.11 -0.11 7.04 0.15 -1.14 -1.93 113.70 111.45 1ugy s SER 83 Ca 0.02 -0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 1ugy s SER 83 Cb 0.08 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1ugy s SER 83 CO 0.76 -0.80 0.33 -0.76 1.20 0.00 0.00 173.24 173.96 1ugy s LEU 84 N -2.80 0.74 -0.01 3.45 1.43 -0.86 -2.85 118.68 117.78 1ugy s LEU 84 Ca 0.03 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1ugy s LEU 84 Cb 0.03 1.18 -0.00 0.00 0.03 0.00 0.00 46.19 47.43 1ugy s LEU 84 CO -0.11 -0.18 -0.06 -0.89 0.23 0.00 0.00 176.35 175.33 1ugy s THR 85 N -0.11 0.53 -0.15 5.49 2.01 -0.03 -1.41 115.64 121.97 1ugy s THR 85 Ca -0.03 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1ugy s THR 85 Cb -0.03 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 72.04 1ugy s THR 85 CO 0.01 0.16 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.57 1ugy s PHE 86 N 0.03 2.39 -0.20 4.92 0.40 -0.17 -2.26 117.98 123.10 1ugy s PHE 86 Ca 0.00 -1.32 -0.04 0.00 -0.60 0.00 0.00 56.93 54.97 1ugy s PHE 86 Cb -0.05 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 1ugy s PHE 86 CO -0.00 -0.67 -0.05 0.21 0.70 0.00 0.00 175.22 175.41 1ugy s LYS 87 N 1.25 3.44 0.55 0.44 2.20 -0.38 0.47 119.74 127.72 1ugy s LYS 87 Ca 0.01 -0.61 0.06 0.00 -0.36 0.00 0.00 55.97 55.07 1ugy s LYS 87 Cb -0.14 -2.97 0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1ugy s LYS 87 CO -0.09 -0.08 0.43 0.95 -0.36 0.00 0.00 175.35 176.20 1ugy s THR 88 N 1.18 1.64 -2.00 3.43 -4.23 0.12 0.36 115.64 116.14 1ugy s THR 88 Ca 0.02 -1.47 0.18 0.00 -1.18 0.00 0.00 61.69 59.24 1ugy s THR 88 Cb -0.14 -2.11 0.50 0.00 1.34 0.00 0.00 72.50 72.09 1ugy s THR 88 CO -0.01 0.00 1.46 -0.46 -0.54 0.00 0.00 174.62 175.07 1ugy n ASN 89 N -1.80 0.00 0.00 3.99 6.94 -1.10 -3.63 115.26 119.66 1ugy n ASN 89 Ca -0.01 -0.62 0.00 0.00 -0.02 0.00 0.00 54.58 53.93 1ugy n ASN 89 Cb 0.64 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 1ugy n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ugy n LYS 90 N -0.97 1.29 -4.02 -3.83 5.02 -1.26 -5.05 118.16 109.34 1ugy n LYS 90 Ca 0.13 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.31 1ugy n LYS 90 Cb 0.06 -0.94 -0.04 0.00 -0.02 0.00 0.00 35.03 34.10 1ugy n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ugy s LYS 91 N -1.87 1.78 -0.12 1.97 1.02 -1.24 -5.15 119.74 116.13 1ugy s LYS 91 Ca 0.00 -1.50 0.02 0.00 0.02 0.00 0.00 55.97 54.51 1ugy s LYS 91 Cb 0.00 0.47 -0.00 0.00 -0.52 0.00 0.00 37.83 37.78 1ugy s LYS 91 CO 0.00 -0.75 -0.19 0.99 -0.92 0.00 0.00 175.35 174.48 1ugy s THR 92 N -3.39 2.51 -0.28 2.17 2.01 -1.26 -0.70 115.64 116.69 1ugy s THR 92 Ca 0.25 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 1ugy s THR 92 Cb -0.01 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.50 1ugy s THR 92 CO 0.14 0.54 0.04 -0.31 -0.69 0.00 0.00 174.62 174.34 1ugy s TYR 93 N 0.44 3.14 0.00 4.92 1.51 0.18 -4.99 117.35 122.55 1ugy s TYR 93 Ca -0.13 -1.22 0.00 0.00 -1.01 0.00 0.00 57.07 54.71 1ugy s TYR 93 Cb -0.17 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1ugy s TYR 93 CO 0.06 -0.64 0.00 0.41 -1.11 0.00 0.00 175.55 174.27 1ugy n GLY 94 N 4.79 -0.18 3.76 0.71 0.00 -1.26 -0.99 105.19 112.01 1ugy n GLY 94 Ca -0.15 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.30 1ugy n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugy s PRO 95 N 0.00 2.81 -0.16 1.61 0.04 -1.26 -4.99 135.00 133.05 1ugy s PRO 95 Ca 0.00 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.66 1ugy s PRO 95 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ugy s PRO 95 CO 0.00 -1.28 -0.16 0.71 0.04 0.00 0.00 177.00 176.30 1ugy s TYR 96 N -1.97 2.77 0.00 0.56 2.02 -0.50 -4.97 117.35 115.26 1ugy s TYR 96 Ca 0.72 -1.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1ugy s TYR 96 Cb -0.25 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 1ugy s TYR 96 CO 0.37 -0.55 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 1ugy n GLY 97 N 4.17 0.29 3.22 0.71 0.00 -1.26 -2.04 105.19 110.28 1ugy n GLY 97 Ca -0.19 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 1ugy n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ugy s VAL 98 N 0.00 2.71 -1.33 1.61 1.01 -0.81 -4.84 120.40 118.75 1ugy s VAL 98 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1ugy s VAL 98 Cb 0.00 -2.19 0.12 0.00 0.00 0.00 0.00 36.38 34.31 1ugy s VAL 98 CO 0.00 0.48 2.21 0.35 0.00 0.00 0.00 175.10 178.15 1ugy n THR 99 N 4.65 4.76 -4.42 3.92 -2.24 -1.26 -3.91 114.28 115.77 1ugy n THR 99 Ca -0.20 -4.19 -0.19 0.00 -2.27 0.00 0.00 64.05 57.20 1ugy n THR 99 Cb 0.51 -2.25 -0.15 0.00 -2.10 0.00 0.00 70.33 66.34 1ugy n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ugy s SER 100 N 0.77 1.21 0.00 3.42 0.15 -1.26 -5.06 113.70 112.94 1ugy s SER 100 Ca 0.49 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1ugy s SER 100 Cb 0.15 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1ugy s SER 100 CO -0.05 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1ugy n GLY 101 N 2.76 0.08 3.36 9.45 0.00 -1.26 -4.40 105.19 115.18 1ugy n GLY 101 Ca -0.14 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1ugy n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugy s THR 102 N -0.15 3.54 0.73 2.61 2.01 0.31 -4.93 115.64 119.75 1ugy s THR 102 Ca 0.00 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 1ugy s THR 102 Cb 0.00 -2.60 0.03 0.00 0.01 0.00 0.00 72.50 69.94 1ugy s THR 102 CO 0.00 0.43 1.09 -2.16 -0.69 0.00 0.00 174.62 173.29 1ugy s PRO 103 N 1.24 2.69 -0.17 4.92 0.04 -1.26 -0.93 135.00 141.52 1ugy s PRO 103 Ca 0.03 0.56 -0.28 0.00 0.04 0.00 0.00 61.00 61.35 1ugy s PRO 103 Cb -0.14 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.49 1ugy s PRO 103 CO -0.01 -1.18 0.80 -0.59 0.04 0.00 0.00 177.00 176.07 1ugy s PHE 104 N -3.27 -0.62 -0.07 0.56 -0.12 -0.73 -4.90 117.98 108.82 1ugy s PHE 104 Ca 0.59 1.29 -0.13 0.00 -0.05 0.00 0.00 56.93 58.63 1ugy s PHE 104 Cb -0.12 0.37 0.03 0.00 -0.63 0.00 0.00 43.02 42.66 1ugy s PHE 104 CO 0.53 -0.43 0.32 0.54 -0.05 0.00 0.00 175.22 176.12 1ugy s ASN 105 N -0.48 -0.26 -0.34 1.98 4.22 -1.26 -0.99 114.94 117.81 1ugy s ASN 105 Ca -0.04 0.36 0.01 0.00 -2.14 0.00 0.00 52.86 51.05 1ugy s ASN 105 Cb -0.02 0.49 0.10 0.00 1.28 0.00 0.00 41.25 43.10 1ugy s ASN 105 CO 0.03 -0.29 0.10 -0.22 -2.04 0.00 0.00 177.10 174.69 1ugy s LEU 106 N -0.61 3.04 0.06 3.54 2.96 0.14 -4.98 118.68 122.84 1ugy s LEU 106 Ca -0.07 -1.91 -0.12 0.00 -0.22 0.00 0.00 54.13 51.80 1ugy s LEU 106 Cb -0.04 -1.11 -0.06 0.00 0.50 0.00 0.00 46.19 45.48 1ugy s LEU 106 CO 0.02 -0.39 0.43 -2.84 -1.32 0.00 0.00 176.35 172.26 1ugy s PRO 107 N 1.25 3.86 -0.15 0.98 0.02 -1.26 -1.66 135.00 138.04 1ugy s PRO 107 Ca 0.11 0.33 0.01 0.00 0.02 0.00 0.00 61.00 61.47 1ugy s PRO 107 Cb -0.19 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1ugy s PRO 107 CO -0.17 0.59 -0.18 0.42 -0.33 0.00 0.00 177.00 177.33 1ugy s ILE 108 N -1.30 2.40 -0.08 2.83 1.09 0.10 -4.98 121.20 121.26 1ugy s ILE 108 Ca 0.31 -0.86 -0.06 0.00 -1.10 0.00 0.00 60.65 58.93 1ugy s ILE 108 Cb -0.15 -1.99 -0.28 0.00 -1.06 0.00 0.00 42.46 38.98 1ugy s ILE 108 CO 0.17 0.53 0.52 -0.33 -0.10 0.00 0.00 174.94 175.72 1ugy h GLU 109 N 7.39 0.29 -2.82 2.79 5.08 -1.98 -3.47 114.58 121.86 1ugy h GLU 109 Ca -0.34 -0.49 -0.21 0.00 -1.00 0.00 0.00 59.36 57.32 1ugy h GLU 109 Cb 1.18 0.18 -0.32 0.00 0.50 0.00 0.00 28.75 30.30 1ugy h GLU 109 CO 0.57 1.19 -0.52 1.21 -1.00 0.00 0.00 179.01 180.46 1ugy s ASN 110 N -7.05 0.31 0.00 1.42 3.04 -1.26 -5.13 114.94 106.28 1ugy s ASN 110 Ca -0.18 0.62 0.00 0.00 0.04 0.00 0.00 52.86 53.33 1ugy s ASN 110 Cb 0.06 0.76 0.00 0.00 -1.54 0.00 0.00 41.25 40.53 1ugy s ASN 110 CO 0.81 -0.24 0.00 0.61 -3.04 0.00 0.00 177.10 175.24 1ugy n GLY 111 N 5.35 1.93 3.18 1.21 0.00 -1.26 -4.97 105.19 110.64 1ugy n GLY 111 Ca -0.06 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 1ugy n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugy s LEU 112 N 0.00 2.47 -0.16 0.99 1.43 0.11 -4.97 118.68 118.56 1ugy s LEU 112 Ca 0.00 -1.02 -0.19 0.00 -1.03 0.00 0.00 54.13 51.88 1ugy s LEU 112 Cb 0.00 -0.09 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 1ugy s LEU 112 CO 0.00 -0.46 0.55 -0.63 0.23 0.00 0.00 176.35 176.03 1ugy s ILE 113 N -3.60 5.11 0.00 -0.59 1.01 -1.26 -1.43 121.20 120.44 1ugy s ILE 113 Ca 0.13 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1ugy s ILE 113 Cb 0.05 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1ugy s ILE 113 CO -0.03 0.22 0.80 1.33 0.00 0.00 0.00 174.94 177.26 1ugy n VAL 114 N 4.20 0.64 -3.63 2.92 0.24 0.41 -4.56 118.33 118.56 1ugy n VAL 114 Ca -0.04 -0.74 -0.03 0.00 -2.04 0.00 0.00 64.34 61.49 1ugy n VAL 114 Cb 0.51 0.72 -0.02 0.00 -1.47 0.00 0.00 33.84 33.57 1ugy n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ugy s GLY 115 N -0.64 -0.19 0.15 7.63 0.00 -1.24 -0.10 107.32 112.92 1ugy s GLY 115 Ca 0.00 1.94 0.06 0.00 0.00 0.00 0.00 44.72 46.72 1ugy s GLY 115 CO 0.00 0.67 -0.13 -1.36 0.00 0.00 0.00 173.10 172.28 1ugy s PHE 116 N -2.01 1.46 0.02 1.90 0.08 -1.25 -0.59 117.98 117.59 1ugy s PHE 116 Ca 0.10 -0.61 -0.24 0.00 0.12 0.00 0.00 56.93 56.30 1ugy s PHE 116 Cb -0.01 -0.73 0.06 0.00 -0.57 0.00 0.00 43.02 41.76 1ugy s PHE 116 CO -0.04 0.19 0.56 -1.59 -0.10 0.00 0.00 175.22 174.24 1ugy s LYS 117 N -3.18 1.03 0.00 0.44 -2.85 -1.06 -1.32 119.74 112.81 1ugy s LYS 117 Ca 0.14 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 1ugy s LYS 117 Cb -0.02 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 1ugy s LYS 117 CO 0.03 -0.36 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1ugy n GLY 118 N 0.57 -0.68 3.27 0.59 0.00 -0.23 -0.55 105.19 108.16 1ugy n GLY 118 Ca -0.19 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1ugy n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugy s SER 119 N -4.00 -0.38 -0.04 1.61 0.15 -0.94 -0.65 113.70 109.46 1ugy s SER 119 Ca 0.00 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1ugy s SER 119 Cb 0.00 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 65.06 1ugy s SER 119 CO 0.00 -0.17 0.00 -0.63 1.20 0.00 0.00 173.24 173.64 1ugy s ILE 120 N 0.02 0.21 0.00 6.45 1.01 -1.02 -0.45 121.20 127.42 1ugy s ILE 120 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1ugy s ILE 120 Cb -0.03 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.13 1ugy s ILE 120 CO 0.01 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1ugy n GLY 121 N 4.29 1.13 0.22 6.18 0.00 -1.26 -0.86 105.19 114.89 1ugy n GLY 121 Ca -0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1ugy n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ugy h TYR 122 N 0.00 1.02 -3.77 1.61 -1.99 -1.95 -1.18 116.97 110.72 1ugy h TYR 122 Ca 0.00 -0.47 -0.36 0.00 2.00 0.00 0.00 58.73 59.90 1ugy h TYR 122 Cb 0.00 -0.15 -0.14 0.00 2.00 0.00 0.00 36.73 38.44 1ugy h TYR 122 CO 0.00 1.30 -0.61 -1.58 -0.00 0.00 0.00 178.16 177.27 1ugy s TRP 123 N -3.67 1.55 -0.33 4.88 0.51 -1.26 -4.42 118.94 116.20 1ugy s TRP 123 Ca -0.10 -1.20 -0.28 0.00 -2.12 0.00 0.00 56.10 52.40 1ugy s TRP 123 Cb 0.08 -0.90 -0.03 0.00 -0.81 0.00 0.00 33.47 31.82 1ugy s TRP 123 CO 0.90 -0.35 1.92 -1.17 -0.51 0.00 0.00 176.95 177.74 1ugy s LEU 124 N -3.32 3.47 0.06 2.99 2.96 -0.46 -4.45 118.68 119.93 1ugy s LEU 124 Ca 0.38 1.36 -0.19 0.00 -0.22 0.00 0.00 54.13 55.46 1ugy s LEU 124 Cb 0.08 -3.41 -0.12 0.00 0.50 0.00 0.00 46.19 43.23 1ugy s LEU 124 CO 0.14 -1.85 1.40 0.44 -1.32 0.00 0.00 176.35 175.16 1ugy h ASP 125 N 13.73 0.45 -5.30 3.68 3.32 -1.06 0.12 116.42 131.36 1ugy h ASP 125 Ca -0.34 -0.44 0.23 0.00 0.02 0.00 0.00 57.03 56.50 1ugy h ASP 125 Cb 1.19 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 40.50 1ugy h ASP 125 CO 1.03 0.79 0.63 -0.72 -1.72 0.00 0.00 179.24 179.25 1ugy s TYR 126 N -4.48 -0.13 0.07 4.55 -0.85 -1.23 -4.22 117.35 111.06 1ugy s TYR 126 Ca -0.14 -0.07 -0.26 0.00 -0.52 0.00 0.00 57.07 56.08 1ugy s TYR 126 Cb 0.06 0.59 0.07 0.00 0.38 0.00 0.00 41.96 43.06 1ugy s TYR 126 CO 0.76 -0.55 0.66 -0.59 -1.52 0.00 0.00 175.55 174.31 1ugy s PHE 127 N -2.90 -0.56 0.22 -3.49 -0.71 -1.26 -2.21 117.98 107.07 1ugy s PHE 127 Ca 0.12 0.60 0.06 0.00 -1.04 0.00 0.00 56.93 56.66 1ugy s PHE 127 Cb 0.01 0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 1ugy s PHE 127 CO -0.02 -0.73 -0.07 -1.12 -1.34 0.00 0.00 175.22 171.94 1ugy s SER 128 N -2.16 2.31 -0.01 1.98 0.01 0.28 -4.98 113.70 111.14 1ugy s SER 128 Ca -0.03 -1.12 0.04 0.00 1.31 0.00 0.00 55.95 56.15 1ugy s SER 128 Cb -0.01 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1ugy s SER 128 CO -0.05 -0.34 -0.14 -0.04 0.41 0.00 0.00 173.24 173.08 1ugy s MET 129 N -3.74 1.13 -0.05 12.44 -1.94 -1.26 -2.57 119.30 123.31 1ugy s MET 129 Ca 0.25 -0.53 -0.22 0.00 -1.71 0.00 0.00 55.69 53.48 1ugy s MET 129 Cb 0.03 -1.10 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 1ugy s MET 129 CO 0.08 0.30 0.63 0.71 -0.01 0.00 0.00 175.02 176.73 1ugy s TYR 130 N -0.38 3.61 -0.00 -0.03 1.51 0.24 -4.98 117.35 117.33 1ugy s TYR 130 Ca 0.05 1.18 0.08 0.00 -1.01 0.00 0.00 57.07 57.37 1ugy s TYR 130 Cb -0.06 -2.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.08 1ugy s TYR 130 CO -0.00 0.21 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.88 1ugy s LEU 131 N 0.36 2.16 0.22 -1.29 1.43 -1.26 -0.44 118.68 119.86 1ugy s LEU 131 Ca 0.33 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 1ugy s LEU 131 Cb -0.18 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.71 1ugy s LEU 131 CO 0.17 0.30 0.53 -0.55 0.23 0.00 0.00 176.35 177.03 1ugy s SER 132 N -0.84 -0.22 0.00 2.29 0.15 -0.51 -4.93 113.70 109.64 1ugy s SER 132 Ca 0.11 -0.60 0.28 0.00 0.70 0.00 0.00 55.95 56.45 1ugy s SER 132 Cb -0.10 0.59 1.15 0.00 -1.71 0.00 0.00 66.02 65.96 1ugy s SER 132 CO 0.00 -1.10 1.80 0.18 1.20 0.00 0.00 173.24 175.32