#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhc n SER 2 N 0.00 -7.04 -3.59 1.61 2.88 -1.26 -5.10 113.62 101.13 1uhc n SER 2 Ca 0.00 0.94 -0.08 0.00 -1.33 0.00 0.00 58.87 58.40 1uhc n SER 2 Cb 0.00 -3.28 -0.05 0.00 -0.75 0.00 0.00 64.21 60.13 1uhc n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uhc s SER 3 N -2.21 -0.26 -0.02 -3.46 1.04 -1.26 -5.18 113.70 102.34 1uhc s SER 3 Ca 0.00 0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.57 1uhc s SER 3 Cb 0.00 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1uhc s SER 3 CO 0.00 -0.26 0.26 -0.83 0.98 0.00 0.00 173.24 173.40 1uhc s GLY 4 N -1.17 -0.11 -0.24 7.32 0.00 -1.26 -5.16 107.32 106.70 1uhc s GLY 4 Ca 0.02 0.25 -0.17 0.00 0.00 0.00 0.00 44.72 44.82 1uhc s GLY 4 CO -0.02 0.07 0.61 -0.56 0.00 0.00 0.00 173.10 173.21 1uhc s SER 5 N -1.20 -0.75 0.03 1.64 0.01 -1.26 -5.12 113.70 107.04 1uhc s SER 5 Ca -0.13 1.30 -0.29 0.00 1.31 0.00 0.00 55.95 58.15 1uhc s SER 5 Cb -0.06 1.23 0.11 0.00 0.21 0.00 0.00 66.02 67.51 1uhc s SER 5 CO 0.03 -0.22 1.19 -0.44 0.41 0.00 0.00 173.24 174.21 1uhc s SER 6 N 1.08 -0.10 0.00 2.44 0.01 -1.26 -5.15 113.70 110.73 1uhc s SER 6 Ca -0.06 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1uhc s SER 6 Cb -0.05 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1uhc s SER 6 CO -0.10 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1uhc n GLY 7 N -0.47 -0.82 0.00 3.44 0.00 -1.26 -5.06 105.19 101.02 1uhc n GLY 7 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1uhc n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uhc n SER 8 N 0.00 0.00 -3.64 1.61 7.64 -1.26 -5.14 113.62 112.83 1uhc n SER 8 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1uhc n SER 8 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1uhc n SER 8 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1uhc s GLU 9 N 0.00 0.31 0.07 1.43 2.02 -1.26 -5.15 118.70 116.13 1uhc s GLU 9 Ca 0.00 0.44 -0.25 0.00 0.02 0.00 0.00 54.97 55.18 1uhc s GLU 9 Cb 0.00 0.12 -0.06 0.00 0.10 0.00 0.00 34.13 34.29 1uhc s GLU 9 CO 0.00 -0.05 0.76 0.00 0.02 0.00 0.00 175.26 176.00 1uhc s ALA 10 N 0.60 3.39 -0.53 5.21 0.00 -1.26 -5.02 121.76 124.15 1uhc s ALA 10 Ca -0.01 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.29 1uhc s ALA 10 Cb -0.04 -2.98 0.16 0.00 0.00 0.00 0.00 23.12 20.26 1uhc s ALA 10 CO -0.11 0.13 0.37 -1.21 0.00 0.00 0.00 175.76 174.93 1uhc s GLU 11 N -0.34 1.61 0.00 0.00 2.02 -1.26 -5.05 118.70 115.68 1uhc s GLU 11 Ca 0.38 -2.54 0.00 0.00 0.02 0.00 0.00 54.97 52.82 1uhc s GLU 11 Cb -0.21 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1uhc s GLU 11 CO 0.24 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 174.65 1uhc n GLY 12 N 2.74 3.01 3.23 -1.39 0.00 -1.26 -5.01 105.19 106.51 1uhc n GLY 12 Ca 0.19 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1uhc n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uhc s ASN 13 N 0.00 5.46 0.04 1.61 -0.87 -1.26 -5.06 114.94 114.87 1uhc s ASN 13 Ca 0.00 -1.55 -0.09 0.00 -1.57 0.00 0.00 52.86 49.65 1uhc s ASN 13 Cb 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 41.25 39.31 1uhc s ASN 13 CO 0.00 -0.49 0.18 0.00 -2.57 0.00 0.00 177.10 174.22 1uhc s GLN 14 N 1.35 0.68 -0.30 -0.60 -2.07 -1.26 -5.00 119.66 112.46 1uhc s GLN 14 Ca 0.03 -0.64 -0.13 0.00 -1.82 0.00 0.00 55.36 52.79 1uhc s GLN 14 Cb -0.22 0.28 0.15 0.00 -1.09 0.00 0.00 33.01 32.12 1uhc s GLN 14 CO 0.01 -0.19 0.86 0.54 -1.32 0.00 0.00 175.29 175.19 1uhc s VAL 15 N -2.56 -0.63 0.12 3.63 0.11 -1.26 -5.07 120.40 114.75 1uhc s VAL 15 Ca -0.05 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.11 1uhc s VAL 15 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1uhc s VAL 15 CO -0.04 0.00 -0.27 -0.31 -3.33 0.00 0.00 175.10 171.15 1uhc s TYR 16 N 2.52 2.29 0.15 1.54 1.51 -1.25 0.12 117.35 124.23 1uhc s TYR 16 Ca -0.04 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1uhc s TYR 16 Cb -0.08 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1uhc s TYR 16 CO -0.18 0.32 -0.12 -0.59 -1.11 0.00 0.00 175.55 173.88 1uhc s PHE 17 N -1.05 1.35 0.01 2.71 -0.12 -0.76 -0.34 117.98 119.77 1uhc s PHE 17 Ca 0.14 -0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 56.03 1uhc s PHE 17 Cb -0.10 -0.68 -0.06 0.00 -0.63 0.00 0.00 43.02 41.55 1uhc s PHE 17 CO 0.06 0.13 1.44 0.00 -0.05 0.00 0.00 175.22 176.80 1uhc s ALA 18 N -2.96 3.60 0.03 1.99 0.00 0.25 -0.53 121.76 124.14 1uhc s ALA 18 Ca 0.15 0.92 -0.24 0.00 0.00 0.00 0.00 51.96 52.79 1uhc s ALA 18 Cb 0.00 -3.61 -0.17 0.00 0.00 0.00 0.00 23.12 19.34 1uhc s ALA 18 CO 0.02 -0.95 1.45 0.28 0.00 0.00 0.00 175.76 176.55 1uhc h VAL 19 N 4.92 1.25 -2.95 0.00 2.07 -1.54 1.45 116.25 121.45 1uhc h VAL 19 Ca -0.38 -0.76 -0.58 0.00 0.82 0.00 0.00 66.70 65.79 1uhc h VAL 19 Cb 1.18 1.70 -0.17 0.00 -1.52 0.00 0.00 31.29 32.49 1uhc h VAL 19 CO 0.91 0.20 -0.79 -0.31 0.02 0.00 0.00 177.57 177.61 1uhc s TYR 20 N -4.94 2.10 -0.26 1.57 2.02 -1.26 -4.04 117.35 112.52 1uhc s TYR 20 Ca -0.15 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 55.86 1uhc s TYR 20 Cb 0.04 -1.00 -0.02 0.00 -0.40 0.00 0.00 41.96 40.57 1uhc s TYR 20 CO 0.68 0.49 1.72 0.99 -1.57 0.00 0.00 175.55 177.86 1uhc s THR 21 N -2.12 3.56 0.20 -0.71 2.01 -1.26 -4.18 115.64 113.15 1uhc s THR 21 Ca 0.22 0.61 0.05 0.00 0.31 0.00 0.00 61.69 62.87 1uhc s THR 21 Cb -0.06 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1uhc s THR 21 CO 0.10 -0.34 0.26 0.12 -0.69 0.00 0.00 174.62 174.07 1uhc s PHE 22 N 6.00 3.33 -0.01 4.92 5.36 0.24 -4.85 117.98 132.97 1uhc s PHE 22 Ca 0.76 -0.00 0.05 0.00 -0.96 0.00 0.00 56.93 56.78 1uhc s PHE 22 Cb -0.24 -1.55 -0.01 0.00 -0.34 0.00 0.00 43.02 40.88 1uhc s PHE 22 CO 0.32 0.49 -0.16 0.21 -1.46 0.00 0.00 175.22 174.62 1uhc s LYS 23 N -3.58 1.31 -0.11 10.12 2.47 -1.26 -2.75 119.74 125.93 1uhc s LYS 23 Ca 0.33 -0.60 -0.13 0.00 -1.56 0.00 0.00 55.97 54.01 1uhc s LYS 23 Cb -0.09 -1.27 -0.05 0.00 -1.46 0.00 0.00 37.83 34.95 1uhc s LYS 23 CO 0.27 0.35 0.30 0.00 0.16 0.00 0.00 175.35 176.43 1uhc s ALA 24 N -0.42 3.66 -0.05 3.13 0.00 -1.26 -4.86 121.76 121.97 1uhc s ALA 24 Ca 0.06 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 51.68 1uhc s ALA 24 Cb -0.06 -2.33 -0.11 0.00 0.00 0.00 0.00 23.12 20.62 1uhc s ALA 24 CO -0.00 0.28 0.09 0.54 0.00 0.00 0.00 175.76 176.66 1uhc n ARG 25 N 2.85 1.73 -4.17 0.00 3.00 -1.26 -4.90 116.66 113.92 1uhc n ARG 25 Ca -0.14 -0.03 -0.23 0.00 -0.01 0.00 0.00 57.85 57.44 1uhc n ARG 25 Cb 0.52 -1.19 -0.07 0.00 0.00 0.00 0.00 32.46 31.72 1uhc n ARG 25 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1uhc s ASN 26 N -3.52 4.61 0.00 0.55 -0.87 -1.26 -5.00 114.94 109.45 1uhc s ASN 26 Ca -0.03 -0.77 0.23 0.00 -1.57 0.00 0.00 52.86 50.71 1uhc s ASN 26 Cb 0.03 -0.74 1.12 0.00 -0.02 0.00 0.00 41.25 41.65 1uhc s ASN 26 CO 0.32 -0.23 1.73 -0.81 -2.57 0.00 0.00 177.10 175.54 1uhc n PRO 27 N -1.08 0.29 0.03 -0.60 -0.04 -1.26 -2.20 135.00 130.15 1uhc n PRO 27 Ca -0.04 0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1uhc n PRO 27 Cb 0.61 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1uhc n PRO 27 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1uhc n ASN 28 N -1.30 0.42 -4.87 3.54 4.13 -1.26 -4.90 115.26 111.03 1uhc n ASN 28 Ca 0.10 0.17 -0.36 0.00 1.68 0.00 0.00 54.58 56.17 1uhc n ASN 28 Cb 0.19 1.10 -0.06 0.00 -1.54 0.00 0.00 39.78 39.46 1uhc n ASN 28 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1uhc s GLU 29 N -3.28 3.67 -0.11 3.52 2.02 -0.93 0.72 118.70 124.30 1uhc s GLU 29 Ca -0.05 0.09 -0.03 0.00 0.02 0.00 0.00 54.97 55.01 1uhc s GLU 29 Cb 0.11 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1uhc s GLU 29 CO 0.85 0.69 -0.01 -1.17 0.02 0.00 0.00 175.26 175.64 1uhc s LEU 30 N -1.33 3.47 -0.09 1.80 2.96 -1.24 -4.65 118.68 119.59 1uhc s LEU 30 Ca 0.23 0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 53.92 1uhc s LEU 30 Cb -0.14 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1uhc s LEU 30 CO 0.12 0.29 0.82 -0.94 -1.32 0.00 0.00 176.35 175.32 1uhc s SER 31 N -0.38 7.07 0.01 3.68 1.04 -1.26 -4.48 113.70 119.39 1uhc s SER 31 Ca 0.07 1.31 0.02 0.00 0.48 0.00 0.00 55.95 57.83 1uhc s SER 31 Cb -0.12 -2.47 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 1uhc s SER 31 CO 0.02 -0.26 -0.08 0.68 0.98 0.00 0.00 173.24 174.59 1uhc s VAL 32 N 1.35 0.57 0.78 5.02 -7.23 -1.11 -4.93 120.40 114.85 1uhc s VAL 32 Ca 0.42 -0.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.96 1uhc s VAL 32 Cb -0.18 -0.53 0.14 0.00 0.56 0.00 0.00 36.38 36.36 1uhc s VAL 32 CO 0.18 -0.01 1.09 -0.44 -0.31 0.00 0.00 175.10 175.61 1uhc s SER 33 N -0.63 4.08 0.27 4.85 0.01 -1.26 0.80 113.70 121.81 1uhc s SER 33 Ca -0.01 -0.04 -0.29 0.00 1.31 0.00 0.00 55.95 56.92 1uhc s SER 33 Cb -0.05 -0.30 -0.09 0.00 0.21 0.00 0.00 66.02 65.79 1uhc s SER 33 CO 0.00 -2.06 1.04 0.00 0.41 0.00 0.00 173.24 172.63 1uhc s ALA 34 N -3.37 3.37 -1.59 1.44 0.00 -1.26 -2.78 121.76 117.57 1uhc s ALA 34 Ca 0.67 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1uhc s ALA 34 Cb -0.06 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1uhc s ALA 34 CO 0.47 -0.02 0.00 0.09 0.00 0.00 0.00 175.76 176.30 1uhc n ASN 35 N 1.24 -4.81 -4.68 0.00 5.03 0.50 -4.89 115.26 107.65 1uhc n ASN 35 Ca -0.01 0.34 -0.40 0.00 0.87 0.00 0.00 54.58 55.38 1uhc n ASN 35 Cb 0.46 -3.67 -0.05 0.00 -1.02 0.00 0.00 39.78 35.50 1uhc n ASN 35 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1uhc s GLN 36 N -3.40 4.28 0.36 3.52 2.00 -1.12 -4.75 119.66 120.55 1uhc s GLN 36 Ca 0.00 0.71 -0.27 0.00 -2.00 0.00 0.00 55.36 53.80 1uhc s GLN 36 Cb 0.00 -3.54 -0.09 0.00 0.80 0.00 0.00 33.01 30.18 1uhc s GLN 36 CO 0.00 -0.15 1.21 0.15 -0.50 0.00 0.00 175.29 176.00 1uhc s LYS 37 N 1.60 4.24 -0.14 1.67 1.02 -1.26 0.87 119.74 127.73 1uhc s LYS 37 Ca 0.32 1.98 -0.13 0.00 0.02 0.00 0.00 55.97 58.16 1uhc s LYS 37 Cb -0.16 -2.89 0.04 0.00 -0.52 0.00 0.00 37.83 34.29 1uhc s LYS 37 CO 0.12 -0.21 0.37 -0.48 -0.92 0.00 0.00 175.35 174.24 1uhc s LEU 38 N -2.10 0.57 -0.50 3.17 0.05 0.54 -4.86 118.68 115.55 1uhc s LEU 38 Ca 0.52 0.75 -0.22 0.00 0.05 0.00 0.00 54.13 55.23 1uhc s LEU 38 Cb -0.34 1.28 0.04 0.00 -2.05 0.00 0.00 46.19 45.12 1uhc s LEU 38 CO 0.44 -0.13 0.76 -0.75 -0.55 0.00 0.00 176.35 176.12 1uhc s LYS 39 N 0.18 3.26 -0.64 1.48 2.47 -1.23 -3.75 119.74 121.51 1uhc s LYS 39 Ca -0.00 -0.48 -0.26 0.00 -1.56 0.00 0.00 55.97 53.66 1uhc s LYS 39 Cb -0.03 -4.04 -0.02 0.00 -1.46 0.00 0.00 37.83 32.28 1uhc s LYS 39 CO 0.01 -1.27 1.88 0.42 0.16 0.00 0.00 175.35 176.55 1uhc s ILE 40 N 3.21 3.35 0.00 5.43 -1.09 -1.26 -0.85 121.20 129.99 1uhc s ILE 40 Ca 0.24 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 1uhc s ILE 40 Cb -0.15 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1uhc s ILE 40 CO 0.17 -0.89 0.68 0.18 -1.23 0.00 0.00 174.94 173.84 1uhc n LEU 41 N 12.96 0.01 -4.49 2.97 4.77 0.38 -4.88 117.00 128.72 1uhc n LEU 41 Ca 0.23 0.83 -0.26 0.00 -0.03 0.00 0.00 56.01 56.79 1uhc n LEU 41 Cb 0.52 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1uhc n LEU 41 CO 0.70 -0.49 -0.47 -1.61 -1.33 0.00 0.00 177.39 174.19 1uhc s GLU 42 N -2.34 1.77 -0.06 3.23 2.02 -1.20 -4.97 118.70 117.15 1uhc s GLU 42 Ca 0.00 -1.54 0.19 0.00 0.02 0.00 0.00 54.97 53.64 1uhc s GLU 42 Cb 0.00 -1.92 0.63 0.00 0.10 0.00 0.00 34.13 32.94 1uhc s GLU 42 CO 0.00 0.38 1.54 1.19 0.02 0.00 0.00 175.26 178.39 1uhc n PHE 43 N -0.19 1.14 -3.72 1.61 3.72 -1.26 -1.95 117.46 116.81 1uhc n PHE 43 Ca -0.09 -0.57 -0.13 0.00 -0.05 0.00 0.00 57.45 56.61 1uhc n PHE 43 Cb 0.57 -0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 38.89 1uhc n PHE 43 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1uhc s LYS 44 N -1.45 0.52 1.20 -1.08 -2.85 -1.26 -4.00 119.74 110.81 1uhc s LYS 44 Ca 0.46 0.58 -0.17 0.00 -1.00 0.00 0.00 55.97 55.85 1uhc s LYS 44 Cb 0.28 0.25 0.28 0.00 -2.06 0.00 0.00 37.83 36.58 1uhc s LYS 44 CO 0.26 -0.07 1.05 0.16 0.10 0.00 0.00 175.35 176.85 1uhc s ASP 45 N 0.18 0.88 0.11 0.03 1.47 -0.19 -4.74 116.67 114.41 1uhc s ASP 45 Ca -0.00 1.02 -0.28 0.00 1.18 0.00 0.00 52.55 54.47 1uhc s ASP 45 Cb -0.03 -1.53 -0.10 0.00 -0.34 0.00 0.00 42.92 40.92 1uhc s ASP 45 CO 0.01 -4.19 1.64 0.58 0.68 0.00 0.00 175.17 173.89 1uhc h VAL 46 N -2.62 0.44 -1.08 2.11 2.07 -1.91 -0.66 116.25 114.59 1uhc h VAL 46 Ca -0.52 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.30 1uhc h VAL 46 Cb 1.33 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 1uhc h VAL 46 CO 0.43 0.00 0.73 0.71 0.02 0.00 0.00 177.57 179.46 1uhc h THR 47 N -0.50 0.48 0.00 2.57 1.35 -2.01 -3.45 112.91 111.35 1uhc h THR 47 Ca 0.02 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1uhc h THR 47 Cb 0.50 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1uhc h THR 47 CO -0.11 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 1uhc n GLY 48 N -1.57 0.67 3.64 5.82 0.00 -0.25 -5.15 105.19 108.34 1uhc n GLY 48 Ca 0.25 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 1uhc n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uhc s ASN 49 N 0.00 -0.68 -0.14 1.61 2.47 -1.25 -4.88 114.94 112.07 1uhc s ASN 49 Ca 0.00 1.11 -0.06 0.00 0.42 0.00 0.00 52.86 54.33 1uhc s ASN 49 Cb 0.00 1.26 -0.19 0.00 -1.45 0.00 0.00 41.25 40.87 1uhc s ASN 49 CO 0.00 -0.18 3.43 0.35 -3.72 0.00 0.00 177.10 176.98 1uhc n THR 50 N 3.78 3.11 -0.02 -5.21 -2.24 -1.26 -1.03 114.28 111.40 1uhc n THR 50 Ca -0.18 -1.85 -0.01 0.00 -2.27 0.00 0.00 64.05 59.73 1uhc n THR 50 Cb 0.58 -1.93 -0.05 0.00 -2.10 0.00 0.00 70.33 66.83 1uhc n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uhc n GLU 51 N 2.18 2.20 -3.82 -0.78 1.02 -1.26 -4.88 120.64 115.29 1uhc n GLU 51 Ca 0.45 -0.02 -0.27 0.00 -0.02 0.00 0.00 57.16 57.30 1uhc n GLU 51 Cb 0.82 -1.17 -0.17 0.00 -0.02 0.00 0.00 31.44 30.91 1uhc n GLU 51 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1uhc s TRP 52 N -2.25 1.34 0.12 -0.32 0.52 -1.24 -3.31 118.94 113.81 1uhc s TRP 52 Ca -0.03 -0.88 -0.15 0.00 0.02 0.00 0.00 56.10 55.05 1uhc s TRP 52 Cb 0.03 -1.15 -0.07 0.00 -1.15 0.00 0.00 33.47 31.13 1uhc s TRP 52 CO 0.28 -0.57 0.54 -1.58 0.02 0.00 0.00 176.95 175.64 1uhc s TRP 53 N 1.75 3.65 -0.55 -1.98 0.51 0.17 -2.82 118.94 119.68 1uhc s TRP 53 Ca 0.01 1.09 -0.21 0.00 -2.12 0.00 0.00 56.10 54.87 1uhc s TRP 53 Cb -0.15 -2.38 0.06 0.00 -0.81 0.00 0.00 33.47 30.18 1uhc s TRP 53 CO -0.07 0.48 0.78 -1.17 -0.51 0.00 0.00 176.95 176.46 1uhc s LEU 54 N -1.73 4.66 0.00 2.99 2.96 -0.82 -0.51 118.68 126.23 1uhc s LEU 54 Ca 0.35 -0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 53.38 1uhc s LEU 54 Cb -0.16 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 1uhc s LEU 54 CO 0.19 -1.10 0.26 0.00 -1.32 0.00 0.00 176.35 174.38 1uhc s ALA 55 N 3.25 3.85 -0.44 5.97 0.00 -1.02 0.14 121.76 133.52 1uhc s ALA 55 Ca 0.20 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1uhc s ALA 55 Cb -0.17 -2.06 0.12 0.00 0.00 0.00 0.00 23.12 21.00 1uhc s ALA 55 CO 0.13 0.65 0.18 -2.00 0.00 0.00 0.00 175.76 174.72 1uhc s GLU 56 N -1.73 1.63 -1.13 0.00 2.12 -0.03 -2.71 118.70 116.85 1uhc s GLU 56 Ca 0.27 -2.19 -0.21 0.00 0.36 0.00 0.00 54.97 53.20 1uhc s GLU 56 Cb -0.13 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.23 1uhc s GLU 56 CO 0.16 -1.05 1.70 0.08 -0.54 0.00 0.00 175.26 175.60 1uhc s VAL 57 N 0.32 3.87 0.00 3.70 1.01 0.82 -3.48 120.40 126.63 1uhc s VAL 57 Ca 0.15 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1uhc s VAL 57 Cb -0.23 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.26 1uhc s VAL 57 CO -0.04 -1.69 0.00 -3.20 0.00 0.00 0.00 175.10 170.17 1uhc n ASN 58 N 10.27 0.00 -0.35 3.32 2.85 -1.26 -1.86 115.26 128.24 1uhc n ASN 58 Ca 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 1uhc n ASN 58 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1uhc n ASN 58 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uhc n GLY 59 N 0.00 -0.40 3.30 8.20 0.00 -1.26 -5.05 105.19 109.98 1uhc n GLY 59 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1uhc n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uhc s LYS 60 N 0.00 3.36 0.08 1.61 1.02 -0.77 -5.10 119.74 119.93 1uhc s LYS 60 Ca 0.00 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.38 1uhc s LYS 60 Cb 0.00 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 1uhc s LYS 60 CO 0.00 -0.19 0.08 0.15 -0.92 0.00 0.00 175.35 174.48 1uhc s LYS 61 N 1.45 2.91 0.00 1.68 1.02 -1.26 -0.12 119.74 125.41 1uhc s LYS 61 Ca 0.05 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1uhc s LYS 61 Cb -0.14 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1uhc s LYS 61 CO -0.04 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 1uhc n GLY 62 N 0.47 1.20 3.67 -3.33 0.00 -1.10 -4.69 105.19 101.41 1uhc n GLY 62 Ca -0.09 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1uhc n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uhc s TYR 63 N -1.98 3.41 0.30 1.61 2.02 0.22 -2.43 117.35 120.50 1uhc s TYR 63 Ca 0.00 1.48 0.09 0.00 -0.37 0.00 0.00 57.07 58.27 1uhc s TYR 63 Cb 0.00 -3.21 -0.06 0.00 -0.40 0.00 0.00 41.96 38.29 1uhc s TYR 63 CO 0.00 -0.37 -0.12 0.08 -1.57 0.00 0.00 175.55 173.58 1uhc s VAL 64 N 2.67 2.14 0.36 0.71 1.01 0.33 -3.72 120.40 123.91 1uhc s VAL 64 Ca 0.45 -2.24 -0.26 0.00 0.00 0.00 0.00 61.98 59.93 1uhc s VAL 64 Cb -0.16 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 1uhc s VAL 64 CO 0.11 -0.30 1.06 -2.16 0.00 0.00 0.00 175.10 173.81 1uhc s PRO 65 N -3.61 4.32 0.00 2.72 0.04 -1.26 0.46 135.00 137.66 1uhc s PRO 65 Ca 0.30 1.60 0.30 0.00 0.04 0.00 0.00 61.00 63.25 1uhc s PRO 65 Cb 0.01 -2.75 1.58 0.00 0.04 0.00 0.00 34.50 33.38 1uhc s PRO 65 CO 0.14 -0.02 2.05 -1.13 0.04 0.00 0.00 177.00 178.08 1uhc n SER 66 N 0.33 0.33 0.07 6.66 3.41 -1.21 -2.88 113.62 120.33 1uhc n SER 66 Ca 0.03 -0.87 0.09 0.00 -0.26 0.00 0.00 58.87 57.86 1uhc n SER 66 Cb 0.48 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1uhc n SER 66 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uhc n ASN 67 N -0.85 0.67 -2.04 4.04 2.85 -1.26 -3.90 115.26 114.77 1uhc n ASN 67 Ca 0.20 0.27 -0.12 0.00 -0.11 0.00 0.00 54.58 54.82 1uhc n ASN 67 Cb 0.20 0.70 0.26 0.00 1.24 0.00 0.00 39.78 42.19 1uhc n ASN 67 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1uhc n TYR 68 N -2.64 2.61 -4.17 1.20 4.02 -1.14 -4.91 117.16 112.14 1uhc n TYR 68 Ca -0.03 -1.42 -0.24 0.00 -0.01 0.00 0.00 57.90 56.20 1uhc n TYR 68 Cb 0.62 -0.77 -0.06 0.00 -0.02 0.00 0.00 39.34 39.11 1uhc n TYR 68 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uhc s ILE 69 N -3.10 4.09 0.10 -0.72 -1.09 -1.25 -1.61 121.20 117.62 1uhc s ILE 69 Ca 0.55 -1.46 -0.09 0.00 -2.23 0.00 0.00 60.65 57.43 1uhc s ILE 69 Cb 0.45 -3.15 -0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1uhc s ILE 69 CO 0.12 -0.26 0.21 -0.13 -1.23 0.00 0.00 174.94 173.65 1uhc s ARG 70 N -3.49 0.90 -0.16 2.79 1.81 0.31 -4.57 118.95 116.55 1uhc s ARG 70 Ca 0.31 -1.00 -0.03 0.00 -1.72 0.00 0.00 55.73 53.29 1uhc s ARG 70 Cb -0.08 0.35 -0.02 0.00 -0.45 0.00 0.00 34.95 34.74 1uhc s ARG 70 CO 0.22 -0.30 -0.06 0.21 -0.68 0.00 0.00 175.30 174.70 1uhc s LYS 71 N -3.88 3.57 0.40 3.54 2.20 -1.26 -1.84 119.74 122.48 1uhc s LYS 71 Ca 0.07 -0.57 0.08 0.00 -0.36 0.00 0.00 55.97 55.19 1uhc s LYS 71 Cb 0.05 -2.86 -0.03 0.00 -1.51 0.00 0.00 37.83 33.48 1uhc s LYS 71 CO -0.09 0.19 0.34 0.99 -0.36 0.00 0.00 175.35 176.42 1uhc s THR 72 N 0.47 2.76 -0.08 3.43 2.01 0.12 -4.93 115.64 119.42 1uhc s THR 72 Ca -0.05 -1.39 0.04 0.00 0.31 0.00 0.00 61.69 60.60 1uhc s THR 72 Cb -0.15 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 1uhc s THR 72 CO 0.03 -0.03 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.11 1uhc s GLU 73 N -4.08 2.82 0.27 4.92 2.02 -1.26 -4.54 118.70 118.86 1uhc s GLU 73 Ca 0.46 -0.84 0.09 0.00 0.02 0.00 0.00 54.97 54.71 1uhc s GLU 73 Cb -0.03 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1uhc s GLU 73 CO 0.27 0.33 0.02 -1.54 0.02 0.00 0.00 175.26 174.35 1uhc s SER 74 N -0.00 4.60 0.00 -0.19 1.04 -1.26 -5.10 113.70 112.79 1uhc s SER 74 Ca -0.07 -0.64 -0.16 0.00 0.48 0.00 0.00 55.95 55.55 1uhc s SER 74 Cb -0.15 -0.86 0.03 0.00 0.10 0.00 0.00 66.02 65.14 1uhc s SER 74 CO 0.05 -0.03 0.35 -0.83 0.98 0.00 0.00 173.24 173.76 1uhc s GLY 75 N -3.70 -0.19 -0.73 7.32 0.00 -1.26 -5.04 107.32 103.71 1uhc s GLY 75 Ca 0.32 0.32 -0.06 0.00 0.00 0.00 0.00 44.72 45.30 1uhc s GLY 75 CO 0.20 0.09 2.62 -1.55 0.00 0.00 0.00 173.10 174.47 1uhc n PRO 76 N 0.98 2.26 -1.46 2.90 -0.04 -1.26 -4.92 135.00 133.46 1uhc n PRO 76 Ca -0.20 -1.36 -0.46 0.00 -0.04 0.00 0.00 63.50 61.43 1uhc n PRO 76 Cb 0.57 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.70 1uhc n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhc n SER 77 N 3.41 -0.51 -1.53 3.54 2.88 -1.26 -4.43 113.62 115.73 1uhc n SER 77 Ca 0.48 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 1uhc n SER 77 Cb 0.38 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1uhc n SER 77 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uhc n SER 78 N 1.72 -7.85 0.00 -3.46 2.88 -1.26 -5.33 113.62 100.32 1uhc n SER 78 Ca 0.15 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1uhc n SER 78 Cb 0.29 -3.88 0.00 0.00 -0.75 0.00 0.00 64.21 59.87 1uhc n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42