#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxx s ILE 7 N 0.00 0.99 -0.09 3.15 -1.09 0.21 -5.00 121.20 119.37 1uxx s ILE 7 Ca 0.00 -0.44 -0.24 0.00 -2.23 0.00 0.00 60.65 57.73 1uxx s ILE 7 Cb 0.00 -0.89 -0.03 0.00 -1.58 0.00 0.00 42.46 39.96 1uxx s ILE 7 CO 0.00 0.31 0.75 -1.61 -1.23 0.00 0.00 174.94 173.16 1uxx s GLU 8 N 0.36 4.41 0.42 2.79 0.41 -1.26 -1.19 118.70 124.64 1uxx s GLU 8 Ca -0.07 0.95 0.09 0.00 -0.41 0.00 0.00 54.97 55.53 1uxx s GLU 8 Cb -0.12 -3.48 0.92 0.00 -1.78 0.00 0.00 34.13 29.67 1uxx s GLU 8 CO 0.02 -0.04 2.05 0.66 -0.49 0.00 0.00 175.26 177.46 1uxx h SER 9 N 6.92 0.42 0.12 -0.19 4.64 -1.75 -1.64 113.55 122.07 1uxx h SER 9 Ca -0.38 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1uxx h SER 9 Cb 1.18 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1uxx h SER 9 CO 0.77 0.30 0.00 -1.84 -0.87 0.00 0.00 176.83 175.19 1uxx n GLU 10 N -4.48 0.72 -1.19 4.77 0.00 -1.26 -2.91 120.64 116.29 1uxx n GLU 10 Ca 0.04 0.01 -0.18 0.00 0.00 0.00 0.00 57.16 57.03 1uxx n GLU 10 Cb 0.11 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.20 1uxx n GLU 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1uxx n GLU 11 N -1.07 2.35 -1.81 3.44 1.02 -0.62 -5.03 120.64 118.92 1uxx n GLU 11 Ca 0.18 -3.32 -0.36 0.00 -0.02 0.00 0.00 57.16 53.65 1uxx n GLU 11 Cb 0.12 -2.06 0.06 0.00 -0.02 0.00 0.00 31.44 29.54 1uxx n GLU 11 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1uxx s TYR 12 N -3.43 2.22 0.01 -0.32 1.13 -1.15 -4.94 117.35 110.87 1uxx s TYR 12 Ca 0.52 1.52 -0.08 0.00 -1.41 0.00 0.00 57.07 57.62 1uxx s TYR 12 Cb 0.45 -3.55 -0.30 0.00 -1.10 0.00 0.00 41.96 37.45 1uxx s TYR 12 CO 0.03 -2.53 0.89 -0.91 -2.51 0.00 0.00 175.55 170.51 1uxx h ASN 13 N 0.54 0.56 -5.26 -0.18 4.21 -1.39 -3.49 115.58 110.57 1uxx h ASN 13 Ca -0.50 -0.71 -0.07 0.00 1.21 0.00 0.00 56.30 56.23 1uxx h ASN 13 Cb 1.31 -0.18 -0.09 0.00 -1.12 0.00 0.00 38.32 38.24 1uxx h ASN 13 CO 0.53 1.58 -0.14 -0.55 -1.29 0.00 0.00 177.43 177.57 1uxx s SER 14 N -7.22 -0.05 0.18 5.81 0.15 -1.16 -5.03 113.70 106.37 1uxx s SER 14 Ca -0.10 -0.97 -0.15 0.00 0.70 0.00 0.00 55.95 55.44 1uxx s SER 14 Cb 0.06 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 1uxx s SER 14 CO 0.88 -1.14 0.44 -1.48 1.20 0.00 0.00 173.24 173.14 1uxx s LEU 15 N -3.03 0.38 -0.25 3.45 0.05 -1.26 -0.85 118.68 117.17 1uxx s LEU 15 Ca 0.23 -0.60 0.02 0.00 0.05 0.00 0.00 54.13 53.83 1uxx s LEU 15 Cb -0.00 1.82 0.06 0.00 -2.05 0.00 0.00 46.19 46.02 1uxx s LEU 15 CO 0.10 -0.99 -0.07 -0.75 -0.55 0.00 0.00 176.35 174.08 1uxx s LYS 16 N -3.90 1.86 -0.19 1.48 2.20 -0.46 -4.99 119.74 115.74 1uxx s LYS 16 Ca 0.11 -1.17 -0.31 0.00 -0.36 0.00 0.00 55.97 54.24 1uxx s LYS 16 Cb 0.01 -2.73 0.15 0.00 -1.51 0.00 0.00 37.83 33.74 1uxx s LYS 16 CO -0.02 -0.60 1.15 0.45 -0.36 0.00 0.00 175.35 175.97 1uxx s SER 17 N 1.26 -0.21 0.00 1.43 0.15 -1.26 -1.82 113.70 113.25 1uxx s SER 17 Ca -0.06 0.14 0.07 0.00 0.70 0.00 0.00 55.95 56.80 1uxx s SER 17 Cb -0.19 0.19 0.11 0.00 -1.71 0.00 0.00 66.02 64.41 1uxx s SER 17 CO -0.06 -0.25 0.89 -1.54 1.20 0.00 0.00 173.24 173.48 1uxx n SER 18 N 0.34 1.98 0.00 5.45 3.41 -1.26 -4.78 113.62 118.75 1uxx n SER 18 Ca -0.04 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1uxx n SER 18 Cb 0.59 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1uxx n SER 18 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1uxx n THR 19 N 0.33 0.00 -1.65 6.66 -2.24 -1.26 -5.08 114.28 111.04 1uxx n THR 19 Ca 0.06 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.39 1uxx n THR 19 Cb 0.25 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 1uxx n THR 19 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1uxx n ILE 20 N -1.35 1.40 -4.30 2.28 5.41 -1.13 -4.73 119.36 116.93 1uxx n ILE 20 Ca 0.00 -0.35 -0.22 0.00 1.00 0.00 0.00 62.75 63.18 1uxx n ILE 20 Cb 0.27 -1.30 -0.13 0.00 -0.71 0.00 0.00 39.64 37.78 1uxx n ILE 20 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1uxx s GLN 21 N -0.98 1.05 0.13 0.38 -1.52 -0.54 -5.00 119.66 113.19 1uxx s GLN 21 Ca 0.64 -1.04 -0.30 0.00 -1.95 0.00 0.00 55.36 52.71 1uxx s GLN 21 Cb -0.67 -1.21 -0.06 0.00 -0.22 0.00 0.00 33.01 30.84 1uxx s GLN 21 CO 0.55 0.28 1.07 0.99 -0.25 0.00 0.00 175.29 177.93 1uxx s THR 22 N -1.12 4.14 0.30 -0.19 2.01 -1.26 -1.32 115.64 118.20 1uxx s THR 22 Ca 0.04 1.75 0.05 0.00 0.31 0.00 0.00 61.69 63.84 1uxx s THR 22 Cb -0.10 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 1uxx s THR 22 CO 0.03 0.26 -0.00 0.27 -0.69 0.00 0.00 174.62 174.48 1uxx s ILE 23 N 0.11 1.42 0.32 1.82 -4.36 -0.02 -4.91 121.20 115.59 1uxx s ILE 23 Ca 0.50 -2.06 0.07 0.00 -0.26 0.00 0.00 60.65 58.90 1uxx s ILE 23 Cb -0.27 -2.60 -0.02 0.00 1.25 0.00 0.00 42.46 40.82 1uxx s ILE 23 CO 0.32 -0.17 0.39 -0.83 0.24 0.00 0.00 174.94 174.89 1uxx s GLY 24 N -3.46 1.60 0.29 6.27 0.00 -1.26 -1.06 107.32 109.70 1uxx s GLY 24 Ca 0.32 -1.49 0.09 0.00 0.00 0.00 0.00 44.72 43.64 1uxx s GLY 24 CO 0.13 -1.42 0.06 -0.51 0.00 0.00 0.00 173.10 171.36 1uxx s THR 25 N -2.19 3.34 -0.82 0.90 -4.23 -0.68 -4.84 115.64 107.12 1uxx s THR 25 Ca 0.42 -1.80 0.17 0.00 -1.18 0.00 0.00 61.69 59.31 1uxx s THR 25 Cb -0.08 -2.94 0.16 0.00 1.34 0.00 0.00 72.50 70.98 1uxx s THR 25 CO 0.29 -0.30 1.54 -1.20 -0.54 0.00 0.00 174.62 174.41 1uxx n SER 26 N -1.01 0.22 -0.68 3.99 7.64 -1.26 -2.03 113.62 120.49 1uxx n SER 26 Ca -0.05 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.50 1uxx n SER 26 Cb 0.60 -0.60 0.35 0.00 -1.01 0.00 0.00 64.21 63.55 1uxx n SER 26 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1uxx n ASP 27 N -1.75 2.06 0.00 6.43 5.68 -1.26 -4.93 116.55 122.78 1uxx n ASP 27 Ca 0.03 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1uxx n ASP 27 Cb 0.18 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1uxx n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uxx n GLY 28 N 1.22 0.78 3.15 6.12 0.00 -0.86 -5.08 105.19 110.52 1uxx n GLY 28 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1uxx n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uxx n GLY 29 N -2.21 0.07 3.32 -0.02 0.00 -1.26 -4.90 105.19 100.19 1uxx n GLY 29 Ca 0.00 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.93 1uxx n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uxx s SER 30 N -4.49 1.63 0.00 1.61 0.01 -1.26 -1.69 113.70 109.50 1uxx s SER 30 Ca 0.56 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1uxx s SER 30 Cb -0.03 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1uxx s SER 30 CO 0.38 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1uxx n GLY 31 N -0.40 1.45 3.20 3.44 0.00 -0.23 -4.67 105.19 107.98 1uxx n GLY 31 Ca -0.04 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1uxx n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uxx s ILE 32 N -2.25 1.89 0.00 -0.61 -1.09 0.11 -0.84 121.20 118.41 1uxx s ILE 32 Ca 0.00 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1uxx s ILE 32 Cb 0.00 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.25 1uxx s ILE 32 CO 0.00 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1uxx n GLY 33 N 3.36 4.08 3.75 6.18 0.00 -0.44 -1.28 105.19 120.85 1uxx n GLY 33 Ca -0.19 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 1uxx n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uxx n TYR 34 N 0.00 -2.42 -2.81 1.61 4.02 -1.26 -1.46 117.16 114.84 1uxx n TYR 34 Ca 0.00 0.89 -0.40 0.00 -0.01 0.00 0.00 57.90 58.38 1uxx n TYR 34 Cb 0.00 -4.23 -0.05 0.00 -0.02 0.00 0.00 39.34 35.04 1uxx n TYR 34 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uxx s ILE 35 N -3.28 4.32 0.27 -0.72 1.01 -1.26 -2.82 121.20 118.72 1uxx s ILE 35 Ca 0.61 1.96 0.12 0.00 0.00 0.00 0.00 60.65 63.34 1uxx s ILE 35 Cb -0.30 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 1uxx s ILE 35 CO 0.76 0.44 -0.20 -1.61 0.00 0.00 0.00 174.94 174.32 1uxx s GLU 36 N -0.70 1.65 0.10 2.79 2.02 -1.26 -3.43 118.70 119.87 1uxx s GLU 36 Ca 0.41 -1.74 -0.36 0.00 0.02 0.00 0.00 54.97 53.31 1uxx s GLU 36 Cb -0.24 -1.76 -0.16 0.00 0.10 0.00 0.00 34.13 32.07 1uxx s GLU 36 CO 0.29 0.33 1.32 0.45 0.02 0.00 0.00 175.26 177.67 1uxx n SER 37 N -0.52 1.64 0.00 -0.19 2.88 -1.26 -1.66 113.62 114.50 1uxx n SER 37 Ca -0.06 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1uxx n SER 37 Cb 0.60 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1uxx n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uxx n GLY 38 N 2.46 1.47 3.74 0.46 0.00 0.40 -4.92 105.19 108.81 1uxx n GLY 38 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1uxx n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uxx s ASP 39 N -3.12 4.38 0.02 1.61 1.01 -0.67 -4.79 116.67 115.13 1uxx s ASP 39 Ca 0.00 2.06 -0.11 0.00 0.71 0.00 0.00 52.55 55.21 1uxx s ASP 39 Cb 0.00 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.39 1uxx s ASP 39 CO 0.00 -2.12 0.22 -0.72 0.21 0.00 0.00 175.17 172.75 1uxx s TYR 40 N -2.47 -0.01 -0.04 4.23 -0.85 -0.76 -1.32 117.35 116.14 1uxx s TYR 40 Ca 0.67 -0.12 0.01 0.00 -0.52 0.00 0.00 57.07 57.11 1uxx s TYR 40 Cb -0.22 0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.09 1uxx s TYR 40 CO 0.49 -0.40 -0.02 -0.51 -1.52 0.00 0.00 175.55 173.59 1uxx s LEU 41 N -1.80 3.43 -0.11 -3.49 1.43 -0.63 -1.35 118.68 116.16 1uxx s LEU 41 Ca -0.09 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1uxx s LEU 41 Cb -0.03 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1uxx s LEU 41 CO -0.01 0.32 -0.21 -0.69 0.23 0.00 0.00 176.35 175.99 1uxx s VAL 42 N -0.97 2.28 -0.29 -1.59 1.01 -0.03 -0.97 120.40 119.84 1uxx s VAL 42 Ca 0.16 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1uxx s VAL 42 Cb -0.11 -1.90 0.08 0.00 0.00 0.00 0.00 36.38 34.44 1uxx s VAL 42 CO 0.06 0.55 -0.02 -0.36 0.00 0.00 0.00 175.10 175.33 1uxx s PHE 43 N 0.43 3.14 0.32 5.22 0.40 0.07 -0.88 117.98 126.69 1uxx s PHE 43 Ca -0.15 -2.41 -0.27 0.00 -0.60 0.00 0.00 56.93 53.50 1uxx s PHE 43 Cb -0.17 -2.20 -0.09 0.00 0.51 0.00 0.00 43.02 41.07 1uxx s PHE 43 CO 0.06 -0.88 1.06 -0.80 0.70 0.00 0.00 175.22 175.36 1uxx s ASN 44 N 1.13 7.11 -1.18 1.36 0.02 -1.26 -0.84 114.94 121.28 1uxx s ASN 44 Ca 0.00 2.13 -0.05 0.00 -1.02 0.00 0.00 52.86 53.93 1uxx s ASN 44 Cb -0.19 -2.61 0.01 0.00 0.02 0.00 0.00 41.25 38.48 1uxx s ASN 44 CO -0.08 -0.24 1.01 0.29 0.02 0.00 0.00 177.10 178.10 1uxx n LYS 45 N 0.72 -6.79 -2.46 -0.60 4.76 -1.22 -4.91 118.16 107.66 1uxx n LYS 45 Ca 0.01 0.76 -0.43 0.00 -2.87 0.00 0.00 58.31 55.78 1uxx n LYS 45 Cb 0.47 -5.58 -0.02 0.00 -1.84 0.00 0.00 35.03 28.06 1uxx n LYS 45 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1uxx s ILE 46 N -3.31 4.17 -0.40 -0.18 -1.09 -0.61 -4.84 121.20 114.94 1uxx s ILE 46 Ca 0.32 1.31 -0.26 0.00 -2.23 0.00 0.00 60.65 59.79 1uxx s ILE 46 Cb -0.14 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.53 1uxx s ILE 46 CO 0.66 -0.54 0.96 0.21 -1.23 0.00 0.00 174.94 175.01 1uxx s ASN 47 N 2.72 6.64 0.00 3.58 3.84 -1.26 -2.68 114.94 127.77 1uxx s ASN 47 Ca 0.55 0.48 0.32 0.00 0.21 0.00 0.00 52.86 54.41 1uxx s ASN 47 Cb -0.15 -2.48 1.89 0.00 -0.55 0.00 0.00 41.25 39.96 1uxx s ASN 47 CO 0.23 -0.96 2.22 0.49 -2.79 0.00 0.00 177.10 176.29 1uxx n PHE 48 N 7.01 0.00 0.00 0.43 3.01 -0.91 -4.93 117.46 122.08 1uxx n PHE 48 Ca 0.08 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1uxx n PHE 48 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 1uxx n PHE 48 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uxx n GLY 49 N 1.00 1.68 0.08 1.37 0.00 -1.26 -3.13 105.19 104.93 1uxx n GLY 49 Ca 0.24 0.41 -0.02 0.00 0.00 0.00 0.00 46.02 46.65 1uxx n GLY 49 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1uxx h ASN 50 N 0.00 -0.11 -4.29 1.61 2.35 -1.91 -3.37 115.58 109.87 1uxx h ASN 50 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1uxx h ASN 50 Cb 0.00 0.03 -0.22 0.00 0.05 0.00 0.00 38.32 38.18 1uxx h ASN 50 CO 0.00 0.24 0.47 -0.83 -1.65 0.00 0.00 177.43 175.66 1uxx s GLY 51 N -2.95 -0.33 -0.05 2.83 0.00 -1.18 -4.79 107.32 100.85 1uxx s GLY 51 Ca -0.02 1.89 -0.02 0.00 0.00 0.00 0.00 44.72 46.57 1uxx s GLY 51 CO 0.06 1.04 0.08 0.00 0.00 0.00 0.00 173.10 174.27 1uxx s ALA 52 N -1.09 0.17 -0.06 3.20 0.00 -0.85 -4.25 121.76 118.88 1uxx s ALA 52 Ca -0.04 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.25 1uxx s ALA 52 Cb -0.00 -0.67 0.14 0.00 0.00 0.00 0.00 23.12 22.58 1uxx s ALA 52 CO 0.03 -0.53 1.04 0.27 0.00 0.00 0.00 175.76 176.57 1uxx n ASN 53 N 5.30 1.90 -3.82 0.00 2.04 -0.69 -1.31 115.26 118.68 1uxx n ASN 53 Ca -0.03 -2.46 -0.12 0.00 -0.44 0.00 0.00 54.58 51.52 1uxx n ASN 53 Cb 0.50 -0.22 -0.10 0.00 -2.53 0.00 0.00 39.78 37.42 1uxx n ASN 53 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1uxx s SER 54 N -1.84 -0.11 -0.06 0.53 0.15 -0.16 -2.05 113.70 110.17 1uxx s SER 54 Ca 0.15 0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.91 1uxx s SER 54 Cb 0.13 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 1uxx s SER 54 CO 0.01 -0.28 -0.09 0.12 1.20 0.00 0.00 173.24 174.21 1uxx s PHE 55 N -0.82 1.12 -0.05 3.44 5.36 -0.47 -1.54 117.98 125.02 1uxx s PHE 55 Ca -0.09 -0.38 0.03 0.00 -0.96 0.00 0.00 56.93 55.53 1uxx s PHE 55 Cb -0.05 -0.88 0.00 0.00 -0.34 0.00 0.00 43.02 41.76 1uxx s PHE 55 CO 0.02 -0.24 -0.16 0.21 -1.46 0.00 0.00 175.22 173.59 1uxx s LYS 56 N 0.78 1.83 0.03 10.12 2.20 -0.33 -1.10 119.74 133.28 1uxx s LYS 56 Ca -0.13 -0.55 0.06 0.00 -0.36 0.00 0.00 55.97 54.99 1uxx s LYS 56 Cb -0.15 -1.54 -0.02 0.00 -1.51 0.00 0.00 37.83 34.61 1uxx s LYS 56 CO 0.02 0.16 -0.17 0.00 -0.36 0.00 0.00 175.35 175.00 1uxx s ALA 57 N 0.28 1.41 -0.40 3.13 0.00 0.22 -0.28 121.76 126.13 1uxx s ALA 57 Ca -0.09 -0.89 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 1uxx s ALA 57 Cb -0.13 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1uxx s ALA 57 CO 0.03 0.30 0.61 0.50 0.00 0.00 0.00 175.76 177.21 1uxx s ARG 58 N -1.02 3.43 0.07 0.00 3.52 -0.36 -1.22 118.95 123.37 1uxx s ARG 58 Ca 0.05 -0.24 0.03 0.00 -0.13 0.00 0.00 55.73 55.43 1uxx s ARG 58 Cb -0.08 -3.89 -0.03 0.00 -1.56 0.00 0.00 34.95 29.39 1uxx s ARG 58 CO 0.01 -0.87 -0.09 0.14 -0.81 0.00 0.00 175.30 173.68 1uxx s VAL 59 N 2.69 0.74 0.02 7.11 -7.23 -0.14 -0.64 120.40 122.95 1uxx s VAL 59 Ca 0.22 -1.42 0.04 0.00 -1.81 0.00 0.00 61.98 59.01 1uxx s VAL 59 Cb -0.15 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.72 1uxx s VAL 59 CO 0.17 -0.50 -0.12 0.00 -0.31 0.00 0.00 175.10 174.34 1uxx s ALA 60 N -2.07 0.95 -0.10 1.32 0.00 0.40 -0.88 121.76 121.38 1uxx s ALA 60 Ca -0.01 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 1uxx s ALA 60 Cb -0.05 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.93 1uxx s ALA 60 CO -0.00 0.19 0.25 0.45 0.00 0.00 0.00 175.76 176.64 1uxx s SER 61 N -0.77 -0.26 -0.14 0.00 0.15 -1.16 -0.81 113.70 110.70 1uxx s SER 61 Ca 0.01 0.52 0.15 0.00 0.70 0.00 0.00 55.95 57.33 1uxx s SER 61 Cb -0.06 0.44 0.52 0.00 -1.71 0.00 0.00 66.02 65.20 1uxx s SER 61 CO 0.00 -0.14 1.42 0.61 1.20 0.00 0.00 173.24 176.34 1uxx n GLY 62 N 3.79 3.66 3.82 9.45 0.00 -1.25 -1.10 105.19 123.55 1uxx n GLY 62 Ca -0.21 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1uxx n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uxx s ALA 63 N -2.42 2.88 -1.19 4.61 0.00 -1.26 -4.92 121.76 119.47 1uxx s ALA 63 Ca 0.40 0.35 0.18 0.00 0.00 0.00 0.00 51.96 52.88 1uxx s ALA 63 Cb 0.30 -3.19 0.63 0.00 0.00 0.00 0.00 23.12 20.86 1uxx s ALA 63 CO 0.11 -0.51 1.54 -0.40 0.00 0.00 0.00 175.76 176.50 1uxx n ASP 64 N -1.68 4.26 -4.14 0.00 5.68 -1.26 -4.10 116.55 115.31 1uxx n ASP 64 Ca 0.08 -2.34 -0.11 0.00 -0.50 0.00 0.00 54.79 51.93 1uxx n ASP 64 Cb 0.53 -0.51 -0.10 0.00 -1.14 0.00 0.00 41.12 39.90 1uxx n ASP 64 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1uxx s THR 65 N -1.63 0.62 0.46 2.12 -4.23 -1.26 -5.06 115.64 106.67 1uxx s THR 65 Ca 0.46 -1.76 -0.22 0.00 -1.18 0.00 0.00 61.69 58.99 1uxx s THR 65 Cb 0.28 -1.46 -0.08 0.00 1.34 0.00 0.00 72.50 72.58 1uxx s THR 65 CO 0.24 -0.79 1.07 -2.16 -0.54 0.00 0.00 174.62 172.44 1uxx s PRO 66 N -3.41 3.84 -0.15 3.99 0.04 -1.26 -4.77 135.00 133.28 1uxx s PRO 66 Ca 0.07 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 1uxx s PRO 66 Cb 0.03 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 1uxx s PRO 66 CO -0.04 -0.42 -0.10 0.99 0.04 0.00 0.00 177.00 177.47 1uxx s THR 67 N -1.80 3.23 -0.09 1.26 2.01 -0.47 -4.89 115.64 114.88 1uxx s THR 67 Ca 0.65 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.88 1uxx s THR 67 Cb -0.21 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 1uxx s THR 67 CO 0.25 0.50 0.49 0.20 -0.69 0.00 0.00 174.62 175.37 1uxx s ASN 68 N 0.60 6.73 -0.40 3.53 0.02 -1.26 -0.81 114.94 123.35 1uxx s ASN 68 Ca -0.06 0.87 -0.05 0.00 -1.02 0.00 0.00 52.86 52.60 1uxx s ASN 68 Cb -0.15 -2.29 0.09 0.00 0.02 0.00 0.00 41.25 38.92 1uxx s ASN 68 CO 0.03 0.04 0.20 -0.63 0.02 0.00 0.00 177.10 176.76 1uxx s ILE 69 N 0.39 3.55 0.23 0.60 1.01 0.91 -1.49 121.20 126.40 1uxx s ILE 69 Ca 0.26 -1.78 -0.30 0.00 0.00 0.00 0.00 60.65 58.84 1uxx s ILE 69 Cb -0.16 -3.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 1uxx s ILE 69 CO 0.11 -0.57 0.93 -1.10 0.00 0.00 0.00 174.94 174.32 1uxx s GLN 70 N 1.24 4.84 -0.36 2.79 -0.21 -0.03 -1.18 119.66 126.75 1uxx s GLN 70 Ca 0.05 1.47 -0.06 0.00 0.02 0.00 0.00 55.36 56.85 1uxx s GLN 70 Cb -0.23 -3.29 0.06 0.00 1.00 0.00 0.00 33.01 30.56 1uxx s GLN 70 CO -0.02 0.50 0.13 -0.51 -2.12 0.00 0.00 175.29 173.27 1uxx s LEU 71 N -1.10 4.53 -0.02 2.90 1.43 -0.32 -1.22 118.68 124.87 1uxx s LEU 71 Ca 0.41 -1.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.22 1uxx s LEU 71 Cb -0.26 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1uxx s LEU 71 CO 0.32 -0.38 -0.23 -0.13 0.23 0.00 0.00 176.35 176.15 1uxx s ARG 72 N 1.34 2.15 -0.09 1.70 1.81 -0.50 -1.19 118.95 124.17 1uxx s ARG 72 Ca -0.00 -0.91 -0.02 0.00 -1.72 0.00 0.00 55.73 53.08 1uxx s ARG 72 Cb -0.21 -2.11 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 1uxx s ARG 72 CO 0.01 0.57 0.00 -0.51 -0.68 0.00 0.00 175.30 174.69 1uxx s LEU 73 N -0.75 3.58 0.00 2.53 1.43 -0.29 -0.72 118.68 124.47 1uxx s LEU 73 Ca 0.11 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1uxx s LEU 73 Cb -0.10 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1uxx s LEU 73 CO -0.00 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.56 1uxx n GLY 74 N 2.18 1.69 3.68 -3.19 0.00 -0.81 -3.00 105.19 105.74 1uxx n GLY 74 Ca -0.19 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 1uxx n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uxx s SER 75 N 0.01 -0.29 0.60 1.61 1.04 -1.26 -4.93 113.70 110.49 1uxx s SER 75 Ca 0.00 -0.30 0.38 0.00 0.48 0.00 0.00 55.95 56.50 1uxx s SER 75 Cb 0.00 0.53 1.86 0.00 0.10 0.00 0.00 66.02 68.51 1uxx s SER 75 CO 0.00 -0.94 2.17 -0.65 0.98 0.00 0.00 173.24 174.81 1uxx h PRO 76 N 2.00 0.00 -0.22 4.02 0.11 -1.92 -1.49 132.00 134.51 1uxx h PRO 76 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1uxx h PRO 76 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1uxx h PRO 76 CO 0.28 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.33 1uxx n THR 77 N -3.17 2.18 -0.75 -1.15 -2.24 -1.26 -4.96 114.28 102.93 1uxx n THR 77 Ca -0.01 -1.92 -0.01 0.00 -2.27 0.00 0.00 64.05 59.84 1uxx n THR 77 Cb 0.19 -0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.19 1uxx n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uxx n GLY 78 N -0.64 -1.82 3.71 3.38 0.00 -0.56 -4.91 105.19 104.34 1uxx n GLY 78 Ca 0.20 -1.56 -0.56 0.00 0.00 0.00 0.00 46.02 44.11 1uxx n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uxx n THR 79 N -2.31 0.35 -2.85 2.61 -1.04 -1.16 -4.59 114.28 105.28 1uxx n THR 79 Ca 0.00 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 1uxx n THR 79 Cb 0.01 -1.33 -0.04 0.00 -1.82 0.00 0.00 70.33 67.15 1uxx n THR 79 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1uxx s LEU 80 N 3.62 4.08 0.11 -4.42 0.20 -1.26 -1.14 118.68 119.87 1uxx s LEU 80 Ca 0.97 -0.07 0.24 0.00 0.69 0.00 0.00 54.13 55.96 1uxx s LEU 80 Cb -1.01 -3.04 0.22 0.00 -0.43 0.00 0.00 46.19 41.93 1uxx s LEU 80 CO 0.63 -1.08 1.20 2.30 -0.29 0.00 0.00 176.35 179.11 1uxx n ILE 81 N 6.30 0.33 0.00 6.68 -5.35 -0.33 -4.95 119.36 122.03 1uxx n ILE 81 Ca 0.04 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1uxx n ILE 81 Cb 0.48 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 1uxx n ILE 81 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uxx n GLY 82 N 1.33 -0.20 2.92 3.28 0.00 -1.16 -0.94 105.19 110.41 1uxx n GLY 82 Ca 0.02 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 1uxx n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uxx s THR 83 N -2.00 -0.33 -0.24 2.61 2.01 -1.26 -1.18 115.64 115.25 1uxx s THR 83 Ca 0.00 0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.14 1uxx s THR 83 Cb 0.00 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1uxx s THR 83 CO 0.00 0.13 0.50 -0.22 -0.69 0.00 0.00 174.62 174.34 1uxx s LEU 84 N 2.34 4.08 -0.24 4.42 2.96 -0.33 -4.89 118.68 127.02 1uxx s LEU 84 Ca 0.02 0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 54.38 1uxx s LEU 84 Cb -0.12 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1uxx s LEU 84 CO -0.07 -0.24 0.13 -0.89 -1.32 0.00 0.00 176.35 173.96 1uxx s THR 85 N 2.07 5.01 -0.26 3.68 2.01 -1.26 -0.06 115.64 126.83 1uxx s THR 85 Ca 0.21 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.29 1uxx s THR 85 Cb -0.16 -3.34 0.06 0.00 0.01 0.00 0.00 72.50 69.07 1uxx s THR 85 CO 0.09 0.35 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.58 1uxx s VAL 86 N 1.18 2.31 0.76 3.82 1.01 0.01 -4.94 120.40 124.55 1uxx s VAL 86 Ca 0.06 -1.54 -0.05 0.00 0.00 0.00 0.00 61.98 60.45 1uxx s VAL 86 Cb -0.14 -2.32 0.13 0.00 0.00 0.00 0.00 36.38 34.04 1uxx s VAL 86 CO 0.05 -0.00 1.06 0.00 0.00 0.00 0.00 175.10 176.20 1uxx s ALA 87 N 1.14 3.31 0.25 5.51 0.00 -1.26 -1.37 121.76 129.34 1uxx s ALA 87 Ca -0.07 -1.47 -0.30 0.00 0.00 0.00 0.00 51.96 50.11 1uxx s ALA 87 Cb -0.19 -2.27 -0.14 0.00 0.00 0.00 0.00 23.12 20.52 1uxx s ALA 87 CO -0.05 -1.61 1.21 0.45 0.00 0.00 0.00 175.76 175.77 1uxx n SER 88 N -3.02 1.95 -0.99 0.00 2.88 -1.26 -4.65 113.62 108.52 1uxx n SER 88 Ca 0.14 1.16 0.12 0.00 -1.33 0.00 0.00 58.87 58.95 1uxx n SER 88 Cb 0.60 -1.34 0.13 0.00 -0.75 0.00 0.00 64.21 62.86 1uxx n SER 88 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1uxx n THR 89 N 1.14 0.16 0.00 2.46 -2.24 -0.25 -4.93 114.28 110.62 1uxx n THR 89 Ca 0.11 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1uxx n THR 89 Cb 0.30 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1uxx n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uxx n GLY 90 N 1.36 2.08 0.00 3.38 0.00 -1.20 -4.87 105.19 105.94 1uxx n GLY 90 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1uxx n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uxx n GLY 91 N -0.37 1.68 0.21 -0.02 0.00 -1.05 -4.91 105.19 100.72 1uxx n GLY 91 Ca 0.00 -0.91 0.15 0.00 0.00 0.00 0.00 46.02 45.26 1uxx n GLY 91 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1uxx h TRP 92 N 0.00 0.00 -0.19 1.61 4.06 -1.89 -2.71 115.95 116.83 1uxx h TRP 92 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1uxx h TRP 92 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1uxx h TRP 92 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 1uxx n ASN 93 N -2.68 3.09 -4.22 -3.49 3.02 -1.26 -4.70 115.26 105.03 1uxx n ASN 93 Ca 0.01 -2.68 -0.41 0.00 -0.03 0.00 0.00 54.58 51.46 1uxx n ASN 93 Cb 0.26 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 1uxx n ASN 93 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1uxx s ASN 94 N -1.82 5.87 0.16 6.41 0.01 -1.03 -4.83 114.94 119.70 1uxx s ASN 94 Ca 0.30 -2.34 -0.21 0.00 -0.71 0.00 0.00 52.86 49.91 1uxx s ASN 94 Cb 0.24 -2.03 -0.08 0.00 0.41 0.00 0.00 41.25 39.79 1uxx s ASN 94 CO 0.08 -0.59 0.69 -0.31 -1.51 0.00 0.00 177.10 175.46 1uxx s TYR 95 N 0.72 3.77 0.08 2.20 1.51 -1.26 -4.39 117.35 119.98 1uxx s TYR 95 Ca 0.11 1.42 0.02 0.00 -1.01 0.00 0.00 57.07 57.62 1uxx s TYR 95 Cb -0.21 -2.62 -0.03 0.00 -0.11 0.00 0.00 41.96 38.98 1uxx s TYR 95 CO -0.03 0.46 -0.07 -1.21 -1.11 0.00 0.00 175.55 173.59 1uxx s GLU 96 N -1.48 0.73 -0.25 -0.62 2.02 -0.06 -4.95 118.70 114.09 1uxx s GLU 96 Ca 0.37 -1.10 -0.14 0.00 0.02 0.00 0.00 54.97 54.11 1uxx s GLU 96 Cb -0.19 -0.28 -0.04 0.00 0.10 0.00 0.00 34.13 33.71 1uxx s GLU 96 CO 0.22 0.02 0.33 -1.21 0.02 0.00 0.00 175.26 174.64 1uxx s GLU 97 N -2.89 4.06 0.02 1.61 2.02 -1.26 -0.97 118.70 121.30 1uxx s GLU 97 Ca 0.03 -0.00 0.08 0.00 0.02 0.00 0.00 54.97 55.09 1uxx s GLU 97 Cb -0.01 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.59 1uxx s GLU 97 CO -0.02 -0.15 -0.23 0.15 0.02 0.00 0.00 175.26 175.04 1uxx s LYS 98 N 1.66 1.64 0.11 1.61 -0.14 -0.36 -4.96 119.74 119.30 1uxx s LYS 98 Ca 0.14 -0.92 0.06 0.00 -1.36 0.00 0.00 55.97 53.89 1uxx s LYS 98 Cb -0.15 -1.70 -0.04 0.00 -1.68 0.00 0.00 37.83 34.26 1uxx s LYS 98 CO 0.09 0.45 -0.15 -1.12 -0.76 0.00 0.00 175.35 173.85 1uxx s SER 99 N -0.94 2.02 0.05 2.83 0.01 -1.26 -0.61 113.70 115.80 1uxx s SER 99 Ca 0.09 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.59 1uxx s SER 99 Cb -0.09 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1uxx s SER 99 CO 0.01 -0.10 -0.05 0.00 0.41 0.00 0.00 173.24 173.51 1uxx s SER 101 N -2.29 6.60 0.15 0.00 1.04 -1.26 -1.36 113.70 116.58 1uxx s SER 101 Ca -0.01 1.86 0.07 0.00 0.48 0.00 0.00 55.95 58.34 1uxx s SER 101 Cb -0.01 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1uxx s SER 101 CO -0.04 -0.60 -0.15 0.27 0.98 0.00 0.00 173.24 173.70 1uxx s ILE 102 N -2.00 1.52 0.16 -1.02 -4.36 -0.87 -4.61 121.20 110.02 1uxx s ILE 102 Ca 0.64 -1.90 -0.31 0.00 -0.26 0.00 0.00 60.65 58.82 1uxx s ILE 102 Cb -0.15 -1.74 -0.11 0.00 1.25 0.00 0.00 42.46 41.71 1uxx s ILE 102 CO 0.18 -0.46 1.73 0.42 0.24 0.00 0.00 174.94 177.05 1uxx s THR 103 N -2.39 2.40 0.10 8.37 -4.23 -0.12 -4.53 115.64 115.24 1uxx s THR 103 Ca 0.14 0.15 -0.36 0.00 -1.18 0.00 0.00 61.69 60.44 1uxx s THR 103 Cb -0.04 -3.10 -0.16 0.00 1.34 0.00 0.00 72.50 70.55 1uxx s THR 103 CO 0.04 0.01 1.43 -3.20 -0.54 0.00 0.00 174.62 172.36 1uxx n ASN 104 N 4.72 2.13 -3.97 3.99 5.15 -1.26 -4.80 115.26 121.23 1uxx n ASN 104 Ca 0.16 1.11 -0.23 0.00 -0.60 0.00 0.00 54.58 55.01 1uxx n ASN 104 Cb 0.37 -1.27 -0.17 0.00 -0.53 0.00 0.00 39.78 38.19 1uxx n ASN 104 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1uxx s THR 105 N 0.70 0.94 0.07 -0.44 2.01 -0.42 -4.94 115.64 113.55 1uxx s THR 105 Ca 0.83 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.50 1uxx s THR 105 Cb -0.87 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1uxx s THR 105 CO 0.44 0.31 -0.09 0.42 -0.69 0.00 0.00 174.62 175.02 1uxx s THR 106 N 0.81 0.70 0.00 -0.82 -4.23 -1.26 -2.00 115.64 108.84 1uxx s THR 106 Ca -0.12 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1uxx s THR 106 Cb -0.15 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.69 1uxx s THR 106 CO 0.02 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1uxx n GLY 107 N 0.98 -2.16 3.40 3.99 0.00 -1.26 -4.91 105.19 105.23 1uxx n GLY 107 Ca -0.19 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.37 1uxx n GLY 107 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1uxx s GLN 108 N -0.18 2.97 0.04 1.61 0.74 -1.26 -2.14 119.66 121.44 1uxx s GLN 108 Ca 0.00 -0.98 0.03 0.00 0.05 0.00 0.00 55.36 54.46 1uxx s GLN 108 Cb 0.00 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.39 1uxx s GLN 108 CO 0.00 -0.63 -0.09 -1.01 -0.55 0.00 0.00 175.29 173.01 1uxx s HIS 109 N 1.58 0.77 0.38 1.67 3.76 -1.09 -4.93 115.29 117.42 1uxx s HIS 109 Ca 0.03 -0.44 -0.27 0.00 -0.15 0.00 0.00 55.06 54.23 1uxx s HIS 109 Cb -0.19 -0.46 -0.09 0.00 1.11 0.00 0.00 32.58 32.96 1uxx s HIS 109 CO 0.07 -0.05 1.30 -0.51 -0.85 0.00 0.00 174.74 174.70 1uxx s ASP 110 N -1.41 6.46 -0.12 1.40 1.01 -1.26 -1.58 116.67 121.18 1uxx s ASP 110 Ca -0.07 2.65 0.03 0.00 0.71 0.00 0.00 52.55 55.88 1uxx s ASP 110 Cb -0.09 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1uxx s ASP 110 CO 0.01 -0.74 -0.23 -0.22 0.21 0.00 0.00 175.17 174.20 1uxx s LEU 111 N -2.24 2.13 -0.18 1.23 2.96 -0.02 -1.93 118.68 120.63 1uxx s LEU 111 Ca 0.54 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1uxx s LEU 111 Cb -0.38 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 1uxx s LEU 111 CO 0.50 0.12 -0.09 -0.31 -1.32 0.00 0.00 176.35 175.24 1uxx s TYR 112 N 0.57 2.89 -0.32 5.38 1.51 0.10 -0.75 117.35 126.74 1uxx s TYR 112 Ca -0.13 -0.94 -0.13 0.00 -1.01 0.00 0.00 57.07 54.86 1uxx s TYR 112 Cb -0.17 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1uxx s TYR 112 CO 0.04 -0.47 0.25 -0.51 -1.11 0.00 0.00 175.55 173.74 1uxx s LEU 113 N 1.07 4.35 -0.18 -1.29 1.43 -0.15 -1.41 118.68 122.51 1uxx s LEU 113 Ca 0.00 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1uxx s LEU 113 Cb -0.15 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1uxx s LEU 113 CO -0.02 -0.19 -0.10 -0.69 0.23 0.00 0.00 176.35 175.57 1uxx s VAL 114 N 1.79 3.02 -0.11 -1.59 1.01 -0.36 -1.60 120.40 122.56 1uxx s VAL 114 Ca 0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1uxx s VAL 114 Cb -0.17 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1uxx s VAL 114 CO 0.11 0.48 0.04 -0.36 0.00 0.00 0.00 175.10 175.37 1uxx s PHE 115 N 0.99 3.27 -2.27 5.22 0.40 -0.43 -0.85 117.98 124.31 1uxx s PHE 115 Ca -0.01 0.24 0.26 0.00 -0.60 0.00 0.00 56.93 56.82 1uxx s PHE 115 Cb -0.15 -1.86 0.62 0.00 0.51 0.00 0.00 43.02 42.14 1uxx s PHE 115 CO -0.01 0.48 1.49 -1.13 0.70 0.00 0.00 175.22 176.75 1uxx n SER 116 N 2.30 1.71 0.00 1.36 3.41 -0.56 -0.45 113.62 121.39 1uxx n SER 116 Ca -0.19 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1uxx n SER 116 Cb 0.54 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1uxx n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uxx n GLY 117 N 1.30 -1.38 3.80 5.00 0.00 -1.26 -4.31 105.19 108.34 1uxx n GLY 117 Ca 0.14 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1uxx n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uxx s PRO 118 N -1.12 3.91 -0.21 1.61 0.04 -1.22 -4.55 135.00 133.46 1uxx s PRO 118 Ca 0.00 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 1uxx s PRO 118 Cb 0.00 -2.12 0.14 0.00 0.04 0.00 0.00 34.50 32.55 1uxx s PRO 118 CO 0.00 -0.33 1.07 0.54 0.04 0.00 0.00 177.00 178.32 1uxx s VAL 119 N -2.02 0.00 -0.21 -0.36 0.11 -1.26 -4.70 120.40 111.97 1uxx s VAL 119 Ca 0.66 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.61 1uxx s VAL 119 Cb -0.15 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.65 1uxx s VAL 119 CO 0.18 0.00 0.14 0.20 -3.33 0.00 0.00 175.10 172.29 1uxx s ASN 120 N -0.71 6.20 -0.06 3.54 0.01 0.01 -4.57 114.94 119.35 1uxx s ASN 120 Ca 0.01 0.22 0.02 0.00 -0.71 0.00 0.00 52.86 52.40 1uxx s ASN 120 Cb -0.02 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.56 1uxx s ASN 120 CO -0.02 0.16 -0.11 -0.51 -1.51 0.00 0.00 177.10 175.11 1uxx s ILE 121 N 0.47 1.04 -0.18 0.60 2.07 -0.40 -0.46 121.20 124.35 1uxx s ILE 121 Ca 0.08 -0.43 -0.14 0.00 -1.41 0.00 0.00 60.65 58.75 1uxx s ILE 121 Cb -0.11 -0.96 -0.08 0.00 0.13 0.00 0.00 42.46 41.44 1uxx s ILE 121 CO -0.01 0.33 -0.17 -0.67 -1.91 0.00 0.00 174.94 172.51 1uxx n ASP 122 N 3.83 1.87 -3.83 4.50 -0.08 0.19 -0.71 116.55 122.31 1uxx n ASP 122 Ca -0.23 0.49 -0.08 0.00 -1.51 0.00 0.00 54.79 53.45 1uxx n ASP 122 Cb 0.52 -0.85 -0.03 0.00 2.34 0.00 0.00 41.12 43.09 1uxx n ASP 122 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1uxx s TYR 123 N -2.47 0.14 0.04 -0.67 -0.85 -1.25 -2.39 117.35 109.90 1uxx s TYR 123 Ca -0.24 -0.56 -0.07 0.00 -0.52 0.00 0.00 57.07 55.69 1uxx s TYR 123 Cb 0.05 0.45 -0.01 0.00 0.38 0.00 0.00 41.96 42.83 1uxx s TYR 123 CO 0.37 -1.15 0.13 -0.59 -1.52 0.00 0.00 175.55 172.79 1uxx s PHE 124 N -3.81 0.16 -0.04 -3.49 -0.12 -0.34 -1.23 117.98 109.12 1uxx s PHE 124 Ca 0.17 -0.46 0.01 0.00 -0.05 0.00 0.00 56.93 56.60 1uxx s PHE 124 Cb -0.03 -0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.27 1uxx s PHE 124 CO 0.09 -0.40 -0.02 0.42 -0.05 0.00 0.00 175.22 175.26 1uxx s ILE 125 N -2.74 0.35 -0.09 -4.49 1.01 0.62 -0.62 121.20 115.24 1uxx s ILE 125 Ca -0.04 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 1uxx s ILE 125 Cb -0.00 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 1uxx s ILE 125 CO -0.05 0.18 0.28 -0.36 0.00 0.00 0.00 174.94 174.99 1uxx s PHE 126 N 0.94 3.61 0.23 3.97 0.08 -1.26 -1.18 117.98 124.36 1uxx s PHE 126 Ca -0.11 0.71 -0.11 0.00 0.12 0.00 0.00 56.93 57.55 1uxx s PHE 126 Cb -0.14 -2.18 -0.01 0.00 -0.57 0.00 0.00 43.02 40.12 1uxx s PHE 126 CO -0.01 0.56 0.40 0.34 -0.10 0.00 0.00 175.22 176.42 1uxx s ASP 127 N -0.62 -0.04 -0.35 1.36 2.15 -0.59 -4.74 116.67 113.84 1uxx s ASP 127 Ca 0.18 -0.99 -0.05 0.00 0.43 0.00 0.00 52.55 52.12 1uxx s ASP 127 Cb -0.14 0.54 0.05 0.00 -0.30 0.00 0.00 42.92 43.07 1uxx s ASP 127 CO 0.07 -1.07 0.11 -0.44 -0.17 0.00 0.00 175.17 173.68 1uxx s SER 128 N -3.03 5.25 0.00 -0.34 0.01 -1.26 -0.98 113.70 113.34 1uxx s SER 128 Ca 0.24 -1.30 0.10 0.00 1.31 0.00 0.00 55.95 56.31 1uxx s SER 128 Cb 0.01 -1.84 0.57 0.00 0.21 0.00 0.00 66.02 64.96 1uxx s SER 128 CO 0.08 -0.36 1.37 0.59 0.41 0.00 0.00 173.24 175.34 1uxx n ASN 129 N 4.76 0.24 0.00 2.44 3.02 -1.26 -4.98 115.26 119.48 1uxx n ASN 129 Ca -0.11 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1uxx n ASN 129 Cb 0.44 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1uxx n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25