#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 -8.42 -4.92 1.61 2.88 -1.26 -4.97 113.62 98.54 1uhc n SER 2 Ca 0.00 1.19 -0.26 0.00 -1.33 0.00 0.00 58.87 58.47 1uhc n SER 2 Cb 0.00 -4.48 0.02 0.00 -0.75 0.00 0.00 64.21 59.00 1uhc n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhc s SER 3 N -2.79 5.74 -0.77 -3.46 0.01 -1.26 -5.00 113.70 106.18 1uhc s SER 3 Ca 0.00 0.64 -0.26 0.00 1.31 0.00 0.00 55.95 57.64 1uhc s SER 3 Cb 0.00 -1.74 0.02 0.00 0.21 0.00 0.00 66.02 64.51 1uhc s SER 3 CO 0.00 -0.91 1.41 -0.83 0.41 0.00 0.00 173.24 173.32 1uhc s GLY 4 N -4.26 0.81 0.21 3.44 0.00 -1.26 -4.92 107.32 101.35 1uhc s GLY 4 Ca 0.52 -1.39 -0.15 0.00 0.00 0.00 0.00 44.72 43.69 1uhc s GLY 4 CO 0.43 2.79 0.50 -0.56 0.00 0.00 0.00 173.10 176.26 1uhc s SER 5 N 4.69 -0.17 -0.07 1.64 0.01 -1.26 -5.17 113.70 113.38 1uhc s SER 5 Ca 0.42 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 57.01 1uhc s SER 5 Cb -0.08 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 1uhc s SER 5 CO 0.12 -1.09 -0.07 -0.55 0.41 0.00 0.00 173.24 172.06 1uhc s SER 6 N -2.93 4.63 0.00 2.44 0.15 -1.26 -5.01 113.70 111.71 1uhc s SER 6 Ca 0.14 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1uhc s SER 6 Cb -0.01 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1uhc s SER 6 CO 0.02 0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.43 1uhc n GLY 7 N 2.23 -0.08 1.67 9.45 0.00 -1.26 -5.13 105.19 112.07 1uhc n GLY 7 Ca -0.18 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.65 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 -8.54 0.00 1.61 7.64 -1.26 -5.07 113.62 108.01 1uhc n SER 8 Ca 0.00 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1uhc n SER 8 Cb 0.00 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 1uhc n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1uhc n GLU 9 N 0.53 0.00 -3.41 1.43 2.13 -1.26 -5.15 120.64 114.91 1uhc n GLU 9 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1uhc n GLU 9 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1uhc n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1uhc s ALA 10 N 0.00 -2.80 -0.06 4.31 0.00 -1.26 -5.16 121.76 116.79 1uhc s ALA 10 Ca 0.00 1.99 0.04 0.00 0.00 0.00 0.00 51.96 53.99 1uhc s ALA 10 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1uhc s ALA 10 CO 0.00 -0.77 -0.16 -1.83 0.00 0.00 0.00 175.76 173.00 1uhc s GLU 11 N 1.96 2.57 0.00 0.00 -1.05 -1.26 -5.10 118.70 115.83 1uhc s GLU 11 Ca -0.03 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1uhc s GLU 11 Cb -0.04 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 31.28 1uhc s GLU 11 CO -0.16 0.56 0.00 0.41 0.95 0.00 0.00 175.26 177.03 1uhc n GLY 12 N 2.48 1.54 3.34 -3.83 0.00 -1.26 -5.08 105.19 102.37 1uhc n GLY 12 Ca -0.17 -0.85 -0.46 0.00 0.00 0.00 0.00 46.02 44.54 1uhc n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uhc s ASN 13 N 0.00 6.58 -0.07 1.61 3.84 -1.26 -4.98 114.94 120.67 1uhc s ASN 13 Ca 0.00 -2.35 -0.30 0.00 0.21 0.00 0.00 52.86 50.42 1uhc s ASN 13 Cb 0.00 -2.23 0.09 0.00 -0.55 0.00 0.00 41.25 38.56 1uhc s ASN 13 CO 0.00 -0.72 0.81 0.00 -2.79 0.00 0.00 177.10 174.40 1uhc s GLN 14 N 0.87 0.89 -0.30 0.43 -2.07 -1.26 -5.11 119.66 113.11 1uhc s GLN 14 Ca 0.15 0.11 -0.14 0.00 -1.82 0.00 0.00 55.36 53.66 1uhc s GLN 14 Cb -0.15 0.42 0.15 0.00 -1.09 0.00 0.00 33.01 32.34 1uhc s GLN 14 CO -0.05 -0.30 0.93 0.54 -1.32 0.00 0.00 175.29 175.09 1uhc s VAL 15 N -1.52 -0.50 0.10 3.63 0.11 -1.26 -5.08 120.40 115.88 1uhc s VAL 15 Ca -0.05 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1uhc s VAL 15 Cb -0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1uhc s VAL 15 CO 0.04 0.00 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.31 1uhc s TYR 16 N 2.34 1.63 0.11 1.54 1.51 -1.26 -0.04 117.35 123.18 1uhc s TYR 16 Ca -0.04 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.63 1uhc s TYR 16 Cb -0.07 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1uhc s TYR 16 CO -0.17 0.17 -0.12 -0.59 -1.11 0.00 0.00 175.55 173.72 1uhc s PHE 17 N -1.22 1.22 0.09 2.71 -0.12 -0.81 -1.33 117.98 118.52 1uhc s PHE 17 Ca 0.04 -0.59 -0.31 0.00 -0.05 0.00 0.00 56.93 56.02 1uhc s PHE 17 Cb -0.10 -0.66 -0.08 0.00 -0.63 0.00 0.00 43.02 41.55 1uhc s PHE 17 CO 0.04 0.07 1.61 0.00 -0.05 0.00 0.00 175.22 176.88 1uhc s ALA 18 N -2.19 3.70 0.10 1.99 0.00 0.13 -0.81 121.76 124.68 1uhc s ALA 18 Ca 0.06 1.22 -0.15 0.00 0.00 0.00 0.00 51.96 53.10 1uhc s ALA 18 Cb -0.04 -3.67 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 1uhc s ALA 18 CO 0.02 -1.00 1.43 0.28 0.00 0.00 0.00 175.76 176.49 1uhc h VAL 19 N 4.61 1.30 -3.03 0.00 2.07 -1.50 0.22 116.25 119.92 1uhc h VAL 19 Ca -0.42 -1.46 -0.42 0.00 0.82 0.00 0.00 66.70 65.21 1uhc h VAL 19 Cb 1.20 1.57 -0.14 0.00 -1.52 0.00 0.00 31.29 32.39 1uhc h VAL 19 CO 0.92 0.47 -0.68 -0.31 0.02 0.00 0.00 177.57 177.99 1uhc s TYR 20 N -4.36 1.69 0.03 1.57 2.02 -1.26 -4.35 117.35 112.68 1uhc s TYR 20 Ca -0.12 -0.79 -0.30 0.00 -0.37 0.00 0.00 57.07 55.48 1uhc s TYR 20 Cb 0.09 -0.95 -0.06 0.00 -0.40 0.00 0.00 41.96 40.64 1uhc s TYR 20 CO 0.83 0.13 1.32 0.99 -1.57 0.00 0.00 175.55 177.25 1uhc s THR 21 N -3.22 3.80 0.30 -0.71 2.01 -1.26 -4.17 115.64 112.39 1uhc s THR 21 Ca 0.27 1.23 0.09 0.00 0.31 0.00 0.00 61.69 63.59 1uhc s THR 21 Cb 0.04 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 1uhc s THR 21 CO 0.09 0.04 -0.10 0.12 -0.69 0.00 0.00 174.62 174.08 1uhc s PHE 22 N 1.80 2.18 0.00 4.92 5.36 0.31 -4.90 117.98 127.66 1uhc s PHE 22 Ca 0.61 -0.55 -0.06 0.00 -0.96 0.00 0.00 56.93 55.98 1uhc s PHE 22 Cb -0.31 -1.19 -0.00 0.00 -0.34 0.00 0.00 43.02 41.18 1uhc s PHE 22 CO 0.27 0.48 0.11 0.15 -1.46 0.00 0.00 175.22 174.77 1uhc s LYS 23 N -3.64 0.44 -0.05 10.12 -0.14 -1.26 -2.07 119.74 123.14 1uhc s LYS 23 Ca 0.30 -0.41 -0.07 0.00 -1.36 0.00 0.00 55.97 54.43 1uhc s LYS 23 Cb 0.02 0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 36.30 1uhc s LYS 23 CO 0.14 -0.10 0.22 0.00 -0.76 0.00 0.00 175.35 174.85 1uhc s ALA 24 N -1.32 3.86 -0.00 5.17 0.00 -1.26 -4.78 121.76 123.43 1uhc s ALA 24 Ca -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1uhc s ALA 24 Cb -0.08 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.01 1uhc s ALA 24 CO 0.01 0.63 0.64 2.89 0.00 0.00 0.00 175.76 179.93 1uhc n ARG 25 N 1.52 0.58 -4.11 0.00 0.00 -1.26 -4.90 116.66 108.49 1uhc n ARG 25 Ca -0.15 -0.76 -0.09 0.00 -0.00 0.00 0.00 57.85 56.85 1uhc n ARG 25 Cb 0.54 -0.61 -0.10 0.00 -0.00 0.00 0.00 32.46 32.29 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 -0.30 0.28 0.00 2.89 0.01 -1.26 -5.02 114.94 111.54 1uhc s ASN 26 Ca 0.01 -1.14 0.20 0.00 -0.71 0.00 0.00 52.86 51.22 1uhc s ASN 26 Cb 0.00 0.31 1.21 0.00 0.41 0.00 0.00 41.25 43.19 1uhc s ASN 26 CO 0.00 -0.74 1.63 -0.81 -1.51 0.00 0.00 177.10 175.67 1uhc n PRO 27 N -0.10 0.75 -2.27 -0.60 -0.04 -1.26 -2.66 135.00 128.82 1uhc n PRO 27 Ca -0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.25 1uhc n PRO 27 Cb 0.63 -1.42 0.04 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.92 3.59 -3.71 3.54 3.02 -1.26 -5.03 115.26 114.49 1uhc n ASN 28 Ca 0.15 -3.11 -0.13 0.00 -0.03 0.00 0.00 54.58 51.46 1uhc n ASN 28 Cb 0.07 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.75 1uhc n ASN 28 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1uhc s GLU 29 N -3.61 0.51 -0.01 3.52 2.02 -1.09 -3.42 118.70 116.63 1uhc s GLU 29 Ca 0.42 0.66 0.03 0.00 0.02 0.00 0.00 54.97 56.10 1uhc s GLU 29 Cb 0.38 0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.78 1uhc s GLU 29 CO 0.01 -0.08 -0.06 -1.17 0.02 0.00 0.00 175.26 173.98 1uhc s LEU 30 N 0.45 3.22 0.04 1.80 2.96 -1.26 -4.67 118.68 121.23 1uhc s LEU 30 Ca -0.02 -0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 1uhc s LEU 30 Cb -0.04 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 1uhc s LEU 30 CO -0.02 0.29 0.49 -0.94 -1.32 0.00 0.00 176.35 174.86 1uhc s SER 31 N -1.36 6.94 0.02 3.68 1.04 -1.26 -4.20 113.70 118.56 1uhc s SER 31 Ca 0.17 1.12 -0.09 0.00 0.48 0.00 0.00 55.95 57.63 1uhc s SER 31 Cb -0.11 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1uhc s SER 31 CO 0.07 0.29 0.18 0.68 0.98 0.00 0.00 173.24 175.45 1uhc s VAL 32 N -1.11 0.10 0.64 5.02 -7.23 -0.88 -4.91 120.40 112.02 1uhc s VAL 32 Ca 0.27 -0.81 0.08 0.00 -1.81 0.00 0.00 61.98 59.71 1uhc s VAL 32 Cb -0.18 -0.74 0.11 0.00 0.56 0.00 0.00 36.38 36.13 1uhc s VAL 32 CO 0.16 -0.44 0.88 -0.44 -0.31 0.00 0.00 175.10 174.95 1uhc s SER 33 N -1.80 4.81 0.41 4.85 0.01 -1.26 0.11 113.70 120.82 1uhc s SER 33 Ca -0.09 -0.82 -0.23 0.00 1.31 0.00 0.00 55.95 56.12 1uhc s SER 33 Cb -0.03 0.41 -0.10 0.00 0.21 0.00 0.00 66.02 66.51 1uhc s SER 33 CO -0.01 -1.58 1.00 0.00 0.41 0.00 0.00 173.24 173.06 1uhc s ALA 34 N -2.83 3.06 -1.49 1.44 0.00 -1.26 -3.09 121.76 117.58 1uhc s ALA 34 Ca 0.64 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1uhc s ALA 34 Cb -0.05 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1uhc s ALA 34 CO 0.41 -0.07 0.00 0.09 0.00 0.00 0.00 175.76 176.19 1uhc n ASN 35 N -0.26 -4.69 -4.65 0.00 3.02 0.78 -4.92 115.26 104.54 1uhc n ASN 35 Ca 0.06 0.18 -0.38 0.00 -0.03 0.00 0.00 54.58 54.41 1uhc n ASN 35 Cb 0.51 -4.02 -0.08 0.00 -0.61 0.00 0.00 39.78 35.58 1uhc n ASN 35 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1uhc s GLN 36 N -4.56 4.10 0.59 3.52 2.00 -1.18 -4.81 119.66 119.32 1uhc s GLN 36 Ca 0.00 0.02 -0.19 0.00 -2.00 0.00 0.00 55.36 53.19 1uhc s GLN 36 Cb 0.00 -3.57 -0.04 0.00 0.80 0.00 0.00 33.01 30.20 1uhc s GLN 36 CO 0.00 -0.07 1.22 0.21 -0.50 0.00 0.00 175.29 176.15 1uhc s LYS 37 N 1.44 2.97 -0.27 1.67 2.20 -1.26 0.18 119.74 126.66 1uhc s LYS 37 Ca 0.15 1.87 -0.12 0.00 -0.36 0.00 0.00 55.97 57.50 1uhc s LYS 37 Cb -0.15 -1.95 0.10 0.00 -1.51 0.00 0.00 37.83 34.32 1uhc s LYS 37 CO 0.08 -1.22 0.63 -0.48 -0.36 0.00 0.00 175.35 174.00 1uhc s LEU 38 N -4.03 -0.93 -0.56 5.43 0.05 -0.44 -4.83 118.68 113.36 1uhc s LEU 38 Ca 0.77 1.45 -0.28 0.00 0.05 0.00 0.00 54.13 56.12 1uhc s LEU 38 Cb -0.31 2.19 0.02 0.00 -2.05 0.00 0.00 46.19 46.04 1uhc s LEU 38 CO 0.34 -0.23 1.31 -0.75 -0.55 0.00 0.00 176.35 176.47 1uhc s LYS 39 N 2.17 3.43 -0.63 1.48 2.47 -1.25 -4.17 119.74 123.25 1uhc s LYS 39 Ca -0.08 0.39 -0.26 0.00 -1.56 0.00 0.00 55.97 54.46 1uhc s LYS 39 Cb -0.08 -4.06 -0.03 0.00 -1.46 0.00 0.00 37.83 32.19 1uhc s LYS 39 CO -0.18 -1.78 1.98 0.42 0.16 0.00 0.00 175.35 175.94 1uhc s ILE 40 N 5.47 3.29 0.01 5.43 -1.09 -1.26 -2.17 121.20 130.88 1uhc s ILE 40 Ca 0.48 0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.94 1uhc s ILE 40 Cb -0.09 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1uhc s ILE 40 CO 0.26 -0.74 0.86 -0.07 -1.23 0.00 0.00 174.94 174.02 1uhc h LEU 41 N 17.28 -0.20 0.00 2.97 3.38 0.11 -3.47 115.31 135.38 1uhc h LEU 41 Ca -0.21 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.53 1uhc h LEU 41 Cb 1.16 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1uhc h LEU 41 CO 1.20 -0.12 -0.15 -0.62 0.09 0.00 0.00 178.44 178.85 1uhc n GLU 42 N -2.79 1.40 -0.01 1.13 -0.58 -1.11 -4.98 120.64 113.69 1uhc n GLU 42 Ca -0.03 -1.33 0.00 0.00 -0.42 0.00 0.00 57.16 55.38 1uhc n GLU 42 Cb 0.09 0.27 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 1uhc n GLU 42 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1uhc n PHE 43 N -0.68 0.00 -3.65 -0.32 3.72 -1.26 -3.52 117.46 111.75 1uhc n PHE 43 Ca -0.05 -0.21 -0.14 0.00 -0.05 0.00 0.00 57.45 56.99 1uhc n PHE 43 Cb 0.24 -0.02 -0.08 0.00 -0.94 0.00 0.00 39.48 38.67 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 -0.44 0.76 0.00 -1.08 0.00 -1.24 -4.31 119.74 113.44 1uhc s LYS 44 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 55.97 56.62 1uhc s LYS 44 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 37.83 38.20 1uhc s LYS 44 CO 0.00 -0.14 0.00 -3.47 0.00 0.00 0.00 175.35 171.74 1uhc n ASP 45 N 2.30 -1.29 0.11 0.03 2.03 0.19 -4.77 116.55 115.16 1uhc n ASP 45 Ca -0.15 -0.27 -0.01 0.00 0.52 0.00 0.00 54.79 54.87 1uhc n ASP 45 Cb 0.56 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.94 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 -1.62 1.23 -0.22 5.18 -1.51 -1.96 -3.02 116.25 114.34 1uhc h VAL 46 Ca 0.00 -2.70 0.00 0.00 -1.23 0.00 0.00 66.70 62.77 1uhc h VAL 46 Cb 0.00 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 1uhc h VAL 46 CO 0.00 0.69 0.00 1.07 -1.23 0.00 0.00 177.57 178.10 1uhc n THR 47 N -3.29 0.29 -2.76 7.19 5.66 -1.26 -4.87 114.28 115.25 1uhc n THR 47 Ca 0.01 -0.31 -0.06 0.00 -3.05 0.00 0.00 64.05 60.64 1uhc n THR 47 Cb 0.81 0.16 0.02 0.00 -1.55 0.00 0.00 70.33 69.78 1uhc n THR 47 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1uhc n GLY 48 N 0.92 0.59 3.41 1.09 0.00 -1.14 -5.02 105.19 105.04 1uhc n GLY 48 Ca 0.10 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1uhc n GLY 48 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uhc s ASN 49 N -3.08 5.80 0.23 1.61 -0.87 -1.26 -4.80 114.94 112.57 1uhc s ASN 49 Ca 0.14 -0.89 0.26 0.00 -1.57 0.00 0.00 52.86 50.79 1uhc s ASN 49 Cb -0.06 -2.05 0.82 0.00 -0.02 0.00 0.00 41.25 39.93 1uhc s ASN 49 CO 0.18 -0.37 1.76 0.71 -2.57 0.00 0.00 177.10 176.81 1uhc h THR 50 N 5.78 0.00 0.00 1.60 1.35 -1.92 0.56 112.91 120.28 1uhc h THR 50 Ca -0.27 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1uhc h THR 50 Cb 1.11 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1uhc h THR 50 CO 0.67 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 175.61 1uhc h GLU 51 N 0.00 0.00 -5.93 4.72 5.08 -1.91 -3.41 114.58 113.12 1uhc h GLU 51 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1uhc h GLU 51 Cb 0.70 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.66 1uhc h GLU 51 CO 0.00 0.00 -0.84 -1.58 -1.00 0.00 0.00 179.01 175.59 1uhc s TRP 52 N -3.87 2.55 0.08 4.33 0.52 -1.15 -2.89 118.94 118.51 1uhc s TRP 52 Ca -0.01 -0.62 0.08 0.00 0.02 0.00 0.00 56.10 55.56 1uhc s TRP 52 Cb 0.11 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 1uhc s TRP 52 CO 0.48 -0.15 -0.17 -1.58 0.02 0.00 0.00 176.95 175.55 1uhc s TRP 53 N -0.16 2.57 -0.36 -1.98 0.52 0.49 -3.42 118.94 116.61 1uhc s TRP 53 Ca -0.03 -0.24 -0.16 0.00 0.02 0.00 0.00 56.10 55.69 1uhc s TRP 53 Cb -0.14 -1.40 -0.00 0.00 -1.15 0.00 0.00 33.47 30.77 1uhc s TRP 53 CO 0.04 0.34 0.41 -1.17 0.02 0.00 0.00 176.95 176.59 1uhc s LEU 54 N -1.87 4.48 0.19 2.99 2.96 -1.23 0.14 118.68 126.34 1uhc s LEU 54 Ca 0.17 -0.25 0.10 0.00 -0.22 0.00 0.00 54.13 53.93 1uhc s LEU 54 Cb -0.11 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1uhc s LEU 54 CO 0.09 -0.41 -0.15 0.00 -1.32 0.00 0.00 176.35 174.55 1uhc s ALA 55 N 2.13 2.79 -0.27 5.97 0.00 -0.74 0.16 121.76 131.79 1uhc s ALA 55 Ca 0.14 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.55 1uhc s ALA 55 Cb -0.16 -0.56 0.08 0.00 0.00 0.00 0.00 23.12 22.47 1uhc s ALA 55 CO 0.12 0.44 0.01 -2.00 0.00 0.00 0.00 175.76 174.34 1uhc s GLU 56 N -2.81 1.30 -0.33 0.00 2.12 -0.92 -2.09 118.70 115.98 1uhc s GLU 56 Ca 0.24 -1.16 0.01 0.00 0.36 0.00 0.00 54.97 54.42 1uhc s GLU 56 Cb -0.08 -2.53 0.08 0.00 0.26 0.00 0.00 34.13 31.86 1uhc s GLU 56 CO 0.13 -0.77 0.04 0.08 -0.54 0.00 0.00 175.26 174.20 1uhc s VAL 57 N 1.38 2.64 -0.57 3.70 1.01 -0.66 -3.74 120.40 124.16 1uhc s VAL 57 Ca 0.02 -1.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.06 1uhc s VAL 57 Cb -0.18 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1uhc s VAL 57 CO -0.12 -0.39 0.57 0.59 0.00 0.00 0.00 175.10 175.75 1uhc n ASN 58 N 4.45 -6.84 -4.08 3.32 3.02 -1.26 -3.36 115.26 110.51 1uhc n ASN 58 Ca -0.05 0.02 -0.28 0.00 -0.03 0.00 0.00 54.58 54.24 1uhc n ASN 58 Cb 0.42 -4.59 -0.08 0.00 -0.61 0.00 0.00 39.78 34.92 1uhc n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uhc n GLY 59 N -1.43 -0.15 2.77 7.41 0.00 -1.26 -4.90 105.19 107.63 1uhc n GLY 59 Ca 0.02 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.84 0.25 0.17 1.61 1.02 -1.21 -5.14 119.74 109.59 1uhc s LYS 60 Ca 0.03 0.15 -0.13 0.00 0.02 0.00 0.00 55.97 56.05 1uhc s LYS 60 Cb -0.02 -0.97 -0.07 0.00 -0.52 0.00 0.00 37.83 36.25 1uhc s LYS 60 CO 0.87 -0.75 0.54 0.15 -0.92 0.00 0.00 175.35 175.24 1uhc s LYS 61 N 2.36 3.92 -0.19 1.68 1.02 -1.26 -1.66 119.74 125.61 1uhc s LYS 61 Ca 0.08 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.19 1uhc s LYS 61 Cb -0.15 -2.84 0.14 0.00 -0.52 0.00 0.00 37.83 34.46 1uhc s LYS 61 CO -0.18 0.43 1.08 0.20 -0.92 0.00 0.00 175.35 175.96 1uhc s GLY 62 N -1.92 -0.19 -0.27 -3.33 0.00 -0.89 -4.69 107.32 96.04 1uhc s GLY 62 Ca 0.41 2.19 -0.26 0.00 0.00 0.00 0.00 44.72 47.05 1uhc s GLY 62 CO 0.20 1.03 0.92 -0.19 0.00 0.00 0.00 173.10 175.05 1uhc s TYR 63 N -1.14 3.27 0.31 1.90 2.02 -1.22 -1.80 117.35 120.69 1uhc s TYR 63 Ca 0.01 1.16 0.10 0.00 -0.37 0.00 0.00 57.07 57.97 1uhc s TYR 63 Cb -0.01 -3.25 -0.05 0.00 -0.40 0.00 0.00 41.96 38.25 1uhc s TYR 63 CO -0.01 -0.52 -0.02 0.08 -1.57 0.00 0.00 175.55 173.51 1uhc s VAL 64 N 3.10 2.80 0.32 0.71 1.01 0.37 -4.04 120.40 124.66 1uhc s VAL 64 Ca 0.38 -2.02 -0.27 0.00 0.00 0.00 0.00 61.98 60.07 1uhc s VAL 64 Cb -0.14 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 1uhc s VAL 64 CO 0.09 -0.27 1.07 -2.16 0.00 0.00 0.00 175.10 173.84 1uhc s PRO 65 N -3.68 4.48 0.00 2.72 0.04 -1.26 0.19 135.00 137.48 1uhc s PRO 65 Ca 0.33 1.68 0.30 0.00 0.04 0.00 0.00 61.00 63.35 1uhc s PRO 65 Cb -0.02 -2.96 1.50 0.00 0.04 0.00 0.00 34.50 33.06 1uhc s PRO 65 CO 0.19 0.10 2.04 -1.13 0.04 0.00 0.00 177.00 178.25 1uhc n SER 66 N 0.75 0.00 0.11 6.66 3.41 -1.14 -2.63 113.62 120.78 1uhc n SER 66 Ca 0.01 -0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 1uhc n SER 66 Cb 0.47 -0.30 0.05 0.00 -0.26 0.00 0.00 64.21 64.17 1uhc n SER 66 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1uhc h ASN 67 N 0.00 0.00 -0.83 4.04 -0.73 -1.91 -3.30 115.58 112.84 1uhc h ASN 67 Ca 0.00 -0.04 -0.43 0.00 1.87 0.00 0.00 56.30 57.70 1uhc h ASN 67 Cb 0.30 0.00 -0.26 0.00 0.27 0.00 0.00 38.32 38.63 1uhc h ASN 67 CO 0.00 0.02 0.47 -1.22 -0.37 0.00 0.00 177.43 176.32 1uhc n TYR 68 N -2.64 2.57 -4.29 0.67 4.02 -1.08 -4.88 117.16 111.53 1uhc n TYR 68 Ca 0.01 -1.80 -0.24 0.00 -0.01 0.00 0.00 57.90 55.85 1uhc n TYR 68 Cb 0.53 -0.84 -0.08 0.00 -0.02 0.00 0.00 39.34 38.93 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 -3.30 3.39 0.08 -0.72 -1.09 -1.25 -1.50 121.20 116.82 1uhc s ILE 69 Ca 0.54 -1.80 -0.09 0.00 -2.23 0.00 0.00 60.65 57.07 1uhc s ILE 69 Cb 0.46 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 1uhc s ILE 69 CO 0.08 -0.27 0.21 -0.13 -1.23 0.00 0.00 174.94 173.59 1uhc s ARG 70 N -3.36 0.84 -0.18 2.79 1.81 0.01 -4.54 118.95 116.32 1uhc s ARG 70 Ca 0.29 -0.89 -0.04 0.00 -1.72 0.00 0.00 55.73 53.38 1uhc s ARG 70 Cb -0.07 0.34 -0.02 0.00 -0.45 0.00 0.00 34.95 34.75 1uhc s ARG 70 CO 0.18 -0.27 -0.03 0.21 -0.68 0.00 0.00 175.30 174.72 1uhc s LYS 71 N -3.65 3.61 0.40 3.54 2.20 -1.26 -1.92 119.74 122.67 1uhc s LYS 71 Ca 0.03 -0.54 0.08 0.00 -0.36 0.00 0.00 55.97 55.18 1uhc s LYS 71 Cb 0.04 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 1uhc s LYS 71 CO -0.10 0.11 0.34 0.99 -0.36 0.00 0.00 175.35 176.33 1uhc s THR 72 N 0.71 2.84 0.15 3.43 2.01 0.94 -4.94 115.64 120.76 1uhc s THR 72 Ca -0.01 -1.38 0.06 0.00 0.31 0.00 0.00 61.69 60.66 1uhc s THR 72 Cb -0.14 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1uhc s THR 72 CO 0.02 -0.04 0.06 -1.61 -0.69 0.00 0.00 174.62 172.35 1uhc s GLU 73 N -4.08 2.65 0.05 4.92 2.02 -1.26 -4.56 118.70 118.44 1uhc s GLU 73 Ca 0.46 -0.94 0.09 0.00 0.02 0.00 0.00 54.97 54.60 1uhc s GLU 73 Cb -0.03 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 1uhc s GLU 73 CO 0.27 0.49 -0.26 -1.12 0.02 0.00 0.00 175.26 174.66 1uhc s SER 74 N -2.84 3.08 0.00 -0.19 0.01 -1.26 -5.03 113.70 107.47 1uhc s SER 74 Ca 0.29 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1uhc s SER 74 Cb -0.10 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1uhc s SER 74 CO 0.21 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1uhc n GLY 75 N 1.71 0.67 3.56 3.44 0.00 -1.26 -4.98 105.19 108.33 1uhc n GLY 75 Ca -0.17 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1uhc n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhc s PRO 76 N -1.62 3.12 0.08 1.61 0.04 -1.26 -4.86 135.00 132.11 1uhc s PRO 76 Ca 0.00 -0.90 -0.26 0.00 0.04 0.00 0.00 61.00 59.88 1uhc s PRO 76 Cb 0.00 -5.25 0.08 0.00 0.04 0.00 0.00 34.50 29.37 1uhc s PRO 76 CO 0.00 -2.85 0.72 -1.54 0.04 0.00 0.00 177.00 173.37 1uhc s SER 77 N 6.23 -0.49 0.27 6.66 1.04 -1.26 -5.13 113.70 121.02 1uhc s SER 77 Ca 0.58 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1uhc s SER 77 Cb -0.02 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1uhc s SER 77 CO -0.02 -0.80 0.00 -1.20 0.98 0.00 0.00 173.24 172.20 1uhc n SER 78 N -0.22 -7.42 0.00 7.02 7.64 -1.26 -5.13 113.62 114.25 1uhc n SER 78 Ca -0.14 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1uhc n SER 78 Cb 0.63 -3.42 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 1uhc n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64