#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 -6.89 -3.54 1.61 7.64 -1.26 -5.07 113.62 106.12 1uhc n SER 2 Ca 0.00 0.45 -0.12 0.00 1.01 0.00 0.00 58.87 60.21 1uhc n SER 2 Cb 0.00 -4.61 -0.04 0.00 -1.01 0.00 0.00 64.21 58.55 1uhc n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uhc s SER 3 N -2.31 -0.40 0.11 6.43 0.01 -1.26 -5.18 113.70 111.11 1uhc s SER 3 Ca 0.20 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1uhc s SER 3 Cb -0.06 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1uhc s SER 3 CO 0.63 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1uhc n GLY 4 N -0.21 1.25 3.72 3.44 0.00 -1.26 -5.12 105.19 107.02 1uhc n GLY 4 Ca -0.17 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 1uhc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uhc s SER 5 N -1.00 5.16 -0.14 1.61 1.04 -1.26 -5.12 113.70 113.99 1uhc s SER 5 Ca 0.00 -0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.05 1uhc s SER 5 Cb 0.00 -1.26 0.05 0.00 0.10 0.00 0.00 66.02 64.91 1uhc s SER 5 CO 0.00 0.14 0.51 -0.55 0.98 0.00 0.00 173.24 174.32 1uhc s SER 6 N -2.61 -0.50 0.00 7.02 0.15 -1.26 -5.15 113.70 111.34 1uhc s SER 6 Ca 0.28 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1uhc s SER 6 Cb -0.11 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1uhc s SER 6 CO 0.20 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1uhc n GLY 7 N 2.16 2.90 0.38 9.45 0.00 -1.26 -5.12 105.19 113.70 1uhc n GLY 7 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.05 1.61 7.64 -1.26 -5.04 113.62 116.62 1uhc n SER 8 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1uhc n SER 8 Cb 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1uhc n SER 8 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1uhc n GLU 9 N -2.15 0.00 -2.12 1.43 1.02 -1.26 -5.10 120.64 112.46 1uhc n GLU 9 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1uhc n GLU 9 Cb 0.00 -0.22 0.08 0.00 -0.02 0.00 0.00 31.44 31.28 1uhc n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uhc s ALA 10 N -2.00 3.02 0.17 0.62 0.00 -1.26 -5.11 121.76 117.20 1uhc s ALA 10 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 1uhc s ALA 10 Cb 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 1uhc s ALA 10 CO 0.00 -1.42 0.24 -1.21 0.00 0.00 0.00 175.76 173.37 1uhc s GLU 11 N -5.34 1.16 0.00 0.00 2.02 -1.26 -4.93 118.70 110.35 1uhc s GLU 11 Ca 0.61 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1uhc s GLU 11 Cb -0.11 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.47 1uhc s GLU 11 CO 0.46 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1uhc n GLY 12 N -0.22 3.34 3.51 -1.39 0.00 -1.26 -4.97 105.19 104.20 1uhc n GLY 12 Ca -0.05 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 6.36 -0.11 1.61 -0.87 -1.26 -4.94 114.94 115.73 1uhc s ASN 13 Ca 0.00 -1.20 -0.04 0.00 -1.57 0.00 0.00 52.86 50.05 1uhc s ASN 13 Cb 0.00 -2.50 0.05 0.00 -0.02 0.00 0.00 41.25 38.79 1uhc s ASN 13 CO 0.00 -1.49 0.23 -1.10 -2.57 0.00 0.00 177.10 172.17 1uhc s GLN 14 N 4.51 0.14 -0.36 -0.60 -0.21 -1.26 -5.10 119.66 116.78 1uhc s GLN 14 Ca 0.35 0.62 -0.00 0.00 0.02 0.00 0.00 55.36 56.34 1uhc s GLN 14 Cb -0.07 -0.12 0.13 0.00 1.00 0.00 0.00 33.01 33.95 1uhc s GLN 14 CO 0.01 -0.24 0.20 0.08 -2.12 0.00 0.00 175.29 173.22 1uhc s VAL 15 N 1.94 0.40 0.03 1.09 1.01 -1.26 -4.89 120.40 118.72 1uhc s VAL 15 Ca -0.03 -1.71 -0.03 0.00 0.00 0.00 0.00 61.98 60.22 1uhc s VAL 15 Cb -0.11 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1uhc s VAL 15 CO -0.08 -0.91 0.23 -0.31 0.00 0.00 0.00 175.10 174.03 1uhc s TYR 16 N 1.13 3.54 0.12 5.22 1.51 -1.26 -3.63 117.35 123.98 1uhc s TYR 16 Ca 0.16 0.40 0.06 0.00 -1.01 0.00 0.00 57.07 56.69 1uhc s TYR 16 Cb -0.22 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1uhc s TYR 16 CO -0.06 0.60 -0.15 -0.59 -1.11 0.00 0.00 175.55 174.24 1uhc s PHE 17 N -1.40 1.44 0.36 2.71 -0.12 -0.46 -1.85 117.98 118.65 1uhc s PHE 17 Ca 0.31 -0.54 -0.28 0.00 -0.05 0.00 0.00 56.93 56.37 1uhc s PHE 17 Cb -0.13 -0.75 -0.10 0.00 -0.63 0.00 0.00 43.02 41.41 1uhc s PHE 17 CO 0.21 0.16 1.34 0.00 -0.05 0.00 0.00 175.22 176.87 1uhc s ALA 18 N -2.09 3.45 -0.04 1.99 0.00 0.06 -0.74 121.76 124.39 1uhc s ALA 18 Ca 0.09 1.31 -0.26 0.00 0.00 0.00 0.00 51.96 53.10 1uhc s ALA 18 Cb -0.05 -3.50 -0.21 0.00 0.00 0.00 0.00 23.12 19.35 1uhc s ALA 18 CO 0.03 -0.76 1.16 0.28 0.00 0.00 0.00 175.76 176.47 1uhc h VAL 19 N 2.88 1.48 -3.12 0.00 2.07 -1.65 0.00 116.25 117.91 1uhc h VAL 19 Ca -0.49 -1.48 -0.45 0.00 0.82 0.00 0.00 66.70 65.10 1uhc h VAL 19 Cb 1.23 2.43 -0.14 0.00 -1.52 0.00 0.00 31.29 33.30 1uhc h VAL 19 CO 0.64 0.39 -0.59 -0.31 0.02 0.00 0.00 177.57 177.73 1uhc s TYR 20 N -3.75 1.80 -0.40 1.57 2.02 -1.26 -4.12 117.35 113.20 1uhc s TYR 20 Ca -0.16 -1.10 -0.28 0.00 -0.37 0.00 0.00 57.07 55.15 1uhc s TYR 20 Cb 0.01 -1.13 -0.00 0.00 -0.40 0.00 0.00 41.96 40.43 1uhc s TYR 20 CO 0.69 -0.17 1.59 0.99 -1.57 0.00 0.00 175.55 177.09 1uhc s THR 21 N -3.43 3.69 0.23 -0.71 2.01 -1.26 -3.80 115.64 112.37 1uhc s THR 21 Ca 0.35 0.69 0.06 0.00 0.31 0.00 0.00 61.69 63.09 1uhc s THR 21 Cb 0.07 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1uhc s THR 21 CO 0.15 -0.65 0.26 0.12 -0.69 0.00 0.00 174.62 173.81 1uhc s PHE 22 N 6.25 3.27 0.03 4.92 5.36 0.43 -4.86 117.98 133.38 1uhc s PHE 22 Ca 0.69 -0.05 0.04 0.00 -0.96 0.00 0.00 56.93 56.65 1uhc s PHE 22 Cb -0.17 -1.49 -0.02 0.00 -0.34 0.00 0.00 43.02 41.00 1uhc s PHE 22 CO 0.32 0.49 -0.13 0.21 -1.46 0.00 0.00 175.22 174.65 1uhc s LYS 23 N -3.79 0.87 -0.16 10.12 2.20 -1.26 -2.42 119.74 125.30 1uhc s LYS 23 Ca 0.33 -0.67 -0.13 0.00 -0.36 0.00 0.00 55.97 55.14 1uhc s LYS 23 Cb -0.09 -0.85 -0.05 0.00 -1.51 0.00 0.00 37.83 35.34 1uhc s LYS 23 CO 0.27 0.21 0.28 0.00 -0.36 0.00 0.00 175.35 175.75 1uhc s ALA 24 N -0.77 3.61 -0.09 3.13 0.00 -1.26 -4.86 121.76 121.53 1uhc s ALA 24 Ca 0.01 -0.47 0.19 0.00 0.00 0.00 0.00 51.96 51.69 1uhc s ALA 24 Cb -0.07 -2.36 -0.29 0.00 0.00 0.00 0.00 23.12 20.40 1uhc s ALA 24 CO 0.01 0.12 0.31 0.54 0.00 0.00 0.00 175.76 176.74 1uhc n ARG 25 N 3.48 0.72 -4.27 0.00 5.12 -1.26 -4.89 116.66 115.56 1uhc n ARG 25 Ca -0.12 -0.12 -0.24 0.00 -1.93 0.00 0.00 57.85 55.43 1uhc n ARG 25 Cb 0.52 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 30.26 1uhc n ARG 25 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1uhc s ASN 26 N -4.71 4.33 0.42 0.55 0.01 -1.26 -5.02 114.94 109.26 1uhc s ASN 26 Ca -0.08 -0.90 0.27 0.00 -0.71 0.00 0.00 52.86 51.44 1uhc s ASN 26 Cb 0.10 -0.61 0.88 0.00 0.41 0.00 0.00 41.25 42.03 1uhc s ASN 26 CO 0.82 -0.22 1.79 1.55 -1.51 0.00 0.00 177.10 179.52 1uhc h PRO 27 N 1.76 0.00 0.00 -0.60 0.13 -2.01 -2.75 132.00 128.52 1uhc h PRO 27 Ca -0.43 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.60 1uhc h PRO 27 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1uhc h PRO 27 CO 0.65 0.00 -0.47 -0.91 -0.23 0.00 0.00 178.00 177.04 1uhc h ASN 28 N 0.00 0.00 -2.80 1.44 2.35 -1.95 -3.45 115.58 111.17 1uhc h ASN 28 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 1uhc h ASN 28 Cb 0.69 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1uhc h ASN 28 CO 0.00 0.47 -0.18 -1.61 -1.65 0.00 0.00 177.43 174.46 1uhc s GLU 29 N -3.02 3.44 0.06 0.81 2.02 -1.04 0.05 118.70 121.03 1uhc s GLU 29 Ca 0.04 -0.35 0.08 0.00 0.02 0.00 0.00 54.97 54.76 1uhc s GLU 29 Cb 0.08 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 1uhc s GLU 29 CO 0.74 0.10 -0.23 -1.17 0.02 0.00 0.00 175.26 174.72 1uhc s LEU 30 N -4.34 2.20 -0.10 1.80 2.96 -1.22 -4.65 118.68 115.33 1uhc s LEU 30 Ca 0.41 -0.58 -0.17 0.00 -0.22 0.00 0.00 54.13 53.56 1uhc s LEU 30 Cb -0.10 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 1uhc s LEU 30 CO 0.36 0.18 0.45 -0.94 -1.32 0.00 0.00 176.35 175.08 1uhc s SER 31 N -1.37 6.70 0.14 3.68 1.04 -1.26 -4.23 113.70 118.40 1uhc s SER 31 Ca 0.09 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.38 1uhc s SER 31 Cb -0.09 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 1uhc s SER 31 CO 0.03 0.07 -0.07 0.68 0.98 0.00 0.00 173.24 174.93 1uhc s VAL 32 N 0.27 0.98 0.52 5.02 -7.23 -1.02 -4.93 120.40 114.00 1uhc s VAL 32 Ca 0.25 -2.02 0.08 0.00 -1.81 0.00 0.00 61.98 58.48 1uhc s VAL 32 Cb -0.15 -1.87 0.05 0.00 0.56 0.00 0.00 36.38 34.96 1uhc s VAL 32 CO 0.11 -0.72 0.61 -0.94 -0.31 0.00 0.00 175.10 173.84 1uhc s SER 33 N -3.15 5.08 0.03 4.85 1.04 -1.26 -0.43 113.70 119.86 1uhc s SER 33 Ca 0.17 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.44 1uhc s SER 33 Cb 0.04 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1uhc s SER 33 CO 0.00 -1.09 1.05 0.00 0.98 0.00 0.00 173.24 174.18 1uhc s ALA 34 N -2.61 3.25 0.00 5.32 0.00 -1.25 -2.55 121.76 123.92 1uhc s ALA 34 Ca 0.52 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1uhc s ALA 34 Cb -0.05 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1uhc s ALA 34 CO 0.32 -0.28 0.00 0.09 0.00 0.00 0.00 175.76 175.89 1uhc n ASN 35 N 3.79 -3.68 -4.70 0.00 5.03 -0.01 -4.87 115.26 110.81 1uhc n ASN 35 Ca 0.07 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.09 1uhc n ASN 35 Cb 0.49 -1.24 -0.03 0.00 -1.02 0.00 0.00 39.78 37.98 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 -0.50 4.46 0.38 3.52 2.00 -1.06 -4.75 119.66 123.72 1uhc s GLN 36 Ca 0.00 1.52 -0.25 0.00 -2.00 0.00 0.00 55.36 54.63 1uhc s GLN 36 Cb 0.00 -3.48 -0.09 0.00 0.80 0.00 0.00 33.01 30.24 1uhc s GLN 36 CO 0.00 -0.23 1.06 0.21 -0.50 0.00 0.00 175.29 175.83 1uhc s LYS 37 N 1.50 4.23 -0.18 1.67 2.20 -1.26 -0.76 119.74 127.13 1uhc s LYS 37 Ca 0.53 1.55 -0.13 0.00 -0.36 0.00 0.00 55.97 57.56 1uhc s LYS 37 Cb -0.22 -2.63 0.06 0.00 -1.51 0.00 0.00 37.83 33.52 1uhc s LYS 37 CO 0.24 -0.10 0.47 -0.48 -0.36 0.00 0.00 175.35 175.12 1uhc s LEU 38 N -2.48 -0.06 -0.48 5.43 0.05 -0.77 -4.85 118.68 115.53 1uhc s LEU 38 Ca 0.56 0.98 -0.26 0.00 0.05 0.00 0.00 54.13 55.47 1uhc s LEU 38 Cb -0.23 1.57 0.03 0.00 -2.05 0.00 0.00 46.19 45.51 1uhc s LEU 38 CO 0.29 -0.19 0.95 -0.75 -0.55 0.00 0.00 176.35 176.11 1uhc s LYS 39 N 0.93 3.51 -0.51 1.48 2.36 -1.19 -4.06 119.74 122.26 1uhc s LYS 39 Ca -0.06 0.13 -0.27 0.00 -2.55 0.00 0.00 55.97 53.22 1uhc s LYS 39 Cb -0.06 -3.95 -0.02 0.00 -1.05 0.00 0.00 37.83 32.75 1uhc s LYS 39 CO -0.08 -1.29 1.84 0.42 1.55 0.00 0.00 175.35 177.79 1uhc s ILE 40 N 3.87 3.41 -0.03 5.43 -1.09 -1.26 -1.92 121.20 129.61 1uhc s ILE 40 Ca 0.37 0.32 -0.23 0.00 -2.23 0.00 0.00 60.65 58.88 1uhc s ILE 40 Cb -0.10 -3.83 -0.16 0.00 -1.58 0.00 0.00 42.46 36.79 1uhc s ILE 40 CO 0.26 -0.72 1.03 -0.07 -1.23 0.00 0.00 174.94 174.21 1uhc h LEU 41 N 15.50 -0.25 -8.92 2.97 3.38 0.18 -3.48 115.31 124.69 1uhc h LEU 41 Ca -0.28 -0.28 -0.37 0.00 0.09 0.00 0.00 57.88 57.04 1uhc h LEU 41 Cb 1.17 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.84 1uhc h LEU 41 CO 1.15 0.22 -0.60 -1.61 0.09 0.00 0.00 178.44 177.70 1uhc s GLU 42 N -3.94 1.47 -0.16 1.13 2.02 -1.18 -4.98 118.70 113.07 1uhc s GLU 42 Ca -0.13 -1.81 0.14 0.00 0.02 0.00 0.00 54.97 53.19 1uhc s GLU 42 Cb 0.01 -0.22 0.37 0.00 0.10 0.00 0.00 34.13 34.39 1uhc s GLU 42 CO 0.50 -0.35 1.19 1.19 0.02 0.00 0.00 175.26 177.82 1uhc n PHE 43 N -0.51 0.00 -3.60 1.61 3.01 -1.26 -2.06 117.46 114.66 1uhc n PHE 43 Ca 0.00 -1.19 -0.14 0.00 1.01 0.00 0.00 57.45 57.13 1uhc n PHE 43 Cb 0.66 -0.20 -0.06 0.00 -0.01 0.00 0.00 39.48 39.87 1uhc n PHE 43 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1uhc s LYS 44 N -2.60 0.99 0.00 -1.08 0.00 -1.23 -4.12 119.74 111.70 1uhc s LYS 44 Ca 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 55.97 56.14 1uhc s LYS 44 Cb 0.33 0.45 0.00 0.00 0.00 0.00 0.00 37.83 38.61 1uhc s LYS 44 CO -0.06 -0.34 0.00 -3.47 0.00 0.00 0.00 175.35 171.48 1uhc n ASP 45 N 0.59 0.00 0.16 0.03 2.03 0.99 -4.73 116.55 115.62 1uhc n ASP 45 Ca -0.19 -0.83 0.01 0.00 0.52 0.00 0.00 54.79 54.30 1uhc n ASP 45 Cb 0.59 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.27 1uhc n ASP 45 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1uhc h VAL 46 N -0.14 1.33 -0.89 5.18 -1.51 -1.96 -2.80 116.25 115.46 1uhc h VAL 46 Ca 0.00 -1.60 -0.58 0.00 -1.23 0.00 0.00 66.70 63.29 1uhc h VAL 46 Cb 0.00 1.85 -0.24 0.00 -2.13 0.00 0.00 31.29 30.76 1uhc h VAL 46 CO 0.00 0.46 0.75 0.35 -1.23 0.00 0.00 177.57 177.90 1uhc n THR 47 N -3.99 3.39 -4.40 7.19 -2.24 -1.26 -4.85 114.28 108.13 1uhc n THR 47 Ca -0.02 -2.62 -0.38 0.00 -2.27 0.00 0.00 64.05 58.77 1uhc n THR 47 Cb 0.49 -1.22 -0.07 0.00 -2.10 0.00 0.00 70.33 67.43 1uhc n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uhc n GLY 48 N -0.52 -0.35 3.41 3.38 0.00 -1.06 -4.88 105.19 105.17 1uhc n GLY 48 Ca 0.53 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.54 5.78 0.00 1.61 2.47 -1.26 -4.79 114.94 115.22 1uhc s ASN 49 Ca 0.61 -0.86 0.25 0.00 0.42 0.00 0.00 52.86 53.28 1uhc s ASN 49 Cb -0.35 -2.05 1.09 0.00 -1.45 0.00 0.00 41.25 38.49 1uhc s ASN 49 CO 0.99 -0.35 1.80 0.35 -3.72 0.00 0.00 177.10 176.17 1uhc n THR 50 N 5.03 0.29 0.08 -5.21 -2.24 -1.26 -0.01 114.28 110.96 1uhc n THR 50 Ca -0.12 0.07 0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1uhc n THR 50 Cb 0.47 -0.65 0.37 0.00 -2.10 0.00 0.00 70.33 68.42 1uhc n THR 50 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1uhc h GLU 51 N 0.00 0.33 -5.21 -0.78 5.08 -1.91 -3.40 114.58 108.68 1uhc h GLU 51 Ca 0.00 -0.07 -0.62 0.00 -1.00 0.00 0.00 59.36 57.67 1uhc h GLU 51 Cb 0.39 -0.05 -0.17 0.00 0.50 0.00 0.00 28.75 29.42 1uhc h GLU 51 CO 0.00 0.42 -0.57 -1.58 -1.00 0.00 0.00 179.01 176.28 1uhc s TRP 52 N -4.84 3.22 0.02 4.33 0.52 -1.17 -0.84 118.94 120.18 1uhc s TRP 52 Ca -0.06 -0.00 0.05 0.00 0.02 0.00 0.00 56.10 56.11 1uhc s TRP 52 Cb 0.16 -2.11 -0.03 0.00 -1.15 0.00 0.00 33.47 30.33 1uhc s TRP 52 CO 0.74 0.06 -0.12 -1.58 0.02 0.00 0.00 176.95 176.07 1uhc s TRP 53 N 0.61 2.73 -0.21 -1.98 0.52 0.49 -3.47 118.94 117.62 1uhc s TRP 53 Ca 0.03 -0.15 -0.18 0.00 0.02 0.00 0.00 56.10 55.83 1uhc s TRP 53 Cb -0.13 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 1uhc s TRP 53 CO 0.01 0.30 0.51 -1.17 0.02 0.00 0.00 176.95 176.63 1uhc s LEU 54 N -1.37 4.12 0.09 2.99 2.96 -0.87 0.19 118.68 126.79 1uhc s LEU 54 Ca 0.16 0.63 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 1uhc s LEU 54 Cb -0.11 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 1uhc s LEU 54 CO 0.06 -0.20 -0.16 0.00 -1.32 0.00 0.00 176.35 174.73 1uhc s ALA 55 N 1.78 1.42 -0.16 5.97 0.00 -1.19 0.20 121.76 129.77 1uhc s ALA 55 Ca 0.23 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1uhc s ALA 55 Cb -0.15 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.87 1uhc s ALA 55 CO 0.09 0.20 -0.10 -2.00 0.00 0.00 0.00 175.76 173.96 1uhc s GLU 56 N -1.99 1.90 0.00 0.00 2.12 -0.81 -3.01 118.70 116.90 1uhc s GLU 56 Ca 0.03 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.78 1uhc s GLU 56 Cb -0.09 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.21 1uhc s GLU 56 CO 0.03 -0.34 0.00 0.28 -0.54 0.00 0.00 175.26 174.69 1uhc n VAL 57 N 4.80 0.00 -2.72 3.70 0.31 -1.22 -3.20 118.33 120.00 1uhc n VAL 57 Ca -0.14 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.91 1uhc n VAL 57 Cb 0.48 -0.53 -0.02 0.00 -0.91 0.00 0.00 33.84 32.87 1uhc n VAL 57 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1uhc n ASN 58 N -0.66 4.80 0.00 4.52 2.85 -1.26 -4.85 115.26 120.66 1uhc n ASN 58 Ca 0.00 -3.71 0.00 0.00 -0.11 0.00 0.00 54.58 50.76 1uhc n ASN 58 Cb 0.00 -0.56 0.00 0.00 1.24 0.00 0.00 39.78 40.46 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 -0.34 2.66 3.58 8.20 0.00 -1.26 -4.97 105.19 113.06 1uhc n GLY 59 Ca 0.35 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 3.29 -0.14 1.61 1.02 -1.26 -4.98 119.74 119.28 1uhc s LYS 60 Ca 0.00 0.83 -0.08 0.00 0.02 0.00 0.00 55.97 56.74 1uhc s LYS 60 Cb 0.00 -4.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 1uhc s LYS 60 CO 0.00 -1.93 0.14 0.15 -0.92 0.00 0.00 175.35 172.79 1uhc s LYS 61 N 5.60 3.67 -0.11 1.68 1.02 -1.26 -3.46 119.74 126.87 1uhc s LYS 61 Ca 0.63 -0.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.18 1uhc s LYS 61 Cb -0.14 -3.26 0.08 0.00 -0.52 0.00 0.00 37.83 33.99 1uhc s LYS 61 CO 0.28 0.64 0.76 0.20 -0.92 0.00 0.00 175.35 176.31 1uhc s GLY 62 N -0.62 -0.50 0.10 -3.33 0.00 -1.16 -4.76 107.32 97.05 1uhc s GLY 62 Ca 0.13 1.61 -0.31 0.00 0.00 0.00 0.00 44.72 46.15 1uhc s GLY 62 CO 0.02 1.13 1.40 -0.19 0.00 0.00 0.00 173.10 175.47 1uhc s TYR 63 N -0.88 3.16 0.30 1.90 2.02 0.11 -3.14 117.35 120.81 1uhc s TYR 63 Ca -0.07 0.91 0.11 0.00 -0.37 0.00 0.00 57.07 57.64 1uhc s TYR 63 Cb -0.01 -3.69 -0.05 0.00 -0.40 0.00 0.00 41.96 37.80 1uhc s TYR 63 CO 0.06 -2.46 -0.12 0.08 -1.57 0.00 0.00 175.55 171.54 1uhc s VAL 64 N 1.33 2.59 0.33 0.71 1.01 0.49 -3.41 120.40 123.45 1uhc s VAL 64 Ca 0.65 -2.24 -0.27 0.00 0.00 0.00 0.00 61.98 60.12 1uhc s VAL 64 Cb -0.36 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 1uhc s VAL 64 CO 0.30 -0.33 1.07 -2.16 0.00 0.00 0.00 175.10 173.98 1uhc s PRO 65 N -3.58 4.43 0.00 2.72 0.04 -1.26 0.18 135.00 137.53 1uhc s PRO 65 Ca 0.31 1.66 0.30 0.00 0.04 0.00 0.00 61.00 63.31 1uhc s PRO 65 Cb -0.03 -2.90 1.50 0.00 0.04 0.00 0.00 34.50 33.11 1uhc s PRO 65 CO 0.17 0.06 2.02 -1.13 0.04 0.00 0.00 177.00 178.16 1uhc n SER 66 N 0.63 0.16 0.09 6.66 3.41 -0.02 -2.84 113.62 121.72 1uhc n SER 66 Ca 0.02 -0.44 0.08 0.00 -0.26 0.00 0.00 58.87 58.27 1uhc n SER 66 Cb 0.47 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1uhc n SER 66 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1uhc h ASN 67 N 0.20 0.00 -0.91 4.04 4.21 -1.92 -3.32 115.58 117.89 1uhc h ASN 67 Ca 0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1uhc h ASN 67 Cb 0.26 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 37.17 1uhc h ASN 67 CO 0.00 0.19 0.55 -1.22 -1.29 0.00 0.00 177.43 175.66 1uhc n TYR 68 N -2.80 2.90 -4.26 1.19 4.02 -1.13 -4.91 117.16 112.17 1uhc n TYR 68 Ca -0.02 -2.40 -0.27 0.00 -0.01 0.00 0.00 57.90 55.20 1uhc n TYR 68 Cb 0.64 -1.08 -0.09 0.00 -0.02 0.00 0.00 39.34 38.79 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 -4.11 3.34 0.03 -0.72 -1.09 -1.25 -1.95 121.20 115.46 1uhc s ILE 69 Ca 0.59 -1.57 -0.14 0.00 -2.23 0.00 0.00 60.65 57.30 1uhc s ILE 69 Cb 0.48 -2.66 0.02 0.00 -1.58 0.00 0.00 42.46 38.72 1uhc s ILE 69 CO 0.04 -0.10 0.30 -0.13 -1.23 0.00 0.00 174.94 173.82 1uhc s ARG 70 N -2.82 0.79 -0.06 2.79 1.81 0.08 -4.61 118.95 116.92 1uhc s ARG 70 Ca 0.25 -0.46 0.03 0.00 -1.72 0.00 0.00 55.73 53.84 1uhc s ARG 70 Cb -0.09 0.34 -0.02 0.00 -0.45 0.00 0.00 34.95 34.73 1uhc s ARG 70 CO 0.16 -0.25 -0.16 0.21 -0.68 0.00 0.00 175.30 174.59 1uhc s LYS 71 N -2.37 2.63 -0.60 3.54 2.20 -1.26 -1.36 119.74 122.52 1uhc s LYS 71 Ca -0.06 -0.72 -0.27 0.00 -0.36 0.00 0.00 55.97 54.55 1uhc s LYS 71 Cb -0.01 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1uhc s LYS 71 CO -0.02 0.53 1.55 0.95 -0.36 0.00 0.00 175.35 178.01 1uhc s THR 72 N -0.50 3.62 -0.43 3.43 -4.23 -1.24 -4.88 115.64 111.41 1uhc s THR 72 Ca 0.07 0.46 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 1uhc s THR 72 Cb -0.12 -4.32 0.20 0.00 1.34 0.00 0.00 72.50 69.60 1uhc s THR 72 CO 0.01 -1.17 0.42 -0.62 -0.54 0.00 0.00 174.62 172.72 1uhc n GLU 73 N 8.95 0.52 0.00 3.99 1.02 -1.26 -5.03 120.64 128.83 1uhc n GLU 73 Ca 0.14 -3.30 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 1uhc n GLU 73 Cb 0.50 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1uhc n GLU 73 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1uhc n SER 74 N 2.25 0.00 -0.80 1.62 7.64 -1.26 -5.17 113.62 117.90 1uhc n SER 74 Ca 0.26 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.18 1uhc n SER 74 Cb 0.49 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 1uhc n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhc n GLY 75 N -0.21 -3.32 2.38 0.23 0.00 -1.26 -4.98 105.19 98.03 1uhc n GLY 75 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 1uhc n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhc n PRO 76 N -2.47 -1.61 -1.09 1.61 -0.04 -1.26 -5.03 135.00 125.12 1uhc n PRO 76 Ca -0.02 -1.23 -0.30 0.00 -0.04 0.00 0.00 63.50 61.91 1uhc n PRO 76 Cb 0.29 -0.97 0.15 0.00 -0.04 0.00 0.00 33.50 32.92 1uhc n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhc s SER 77 N -3.78 3.30 0.15 3.54 0.15 -1.26 -4.90 113.70 110.90 1uhc s SER 77 Ca 0.47 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.75 1uhc s SER 77 Cb -0.03 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1uhc s SER 77 CO 0.35 -2.77 0.00 -0.24 1.20 0.00 0.00 173.24 171.78 1uhc n SER 78 N -3.98 -1.36 0.00 5.45 2.88 -1.26 -5.28 113.62 110.07 1uhc n SER 78 Ca 0.07 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1uhc n SER 78 Cb 0.54 1.57 0.00 0.00 -0.75 0.00 0.00 64.21 65.57 1uhc n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42