#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhc s SER 2 N 0.00 5.75 -0.21 1.61 0.01 -1.26 -5.03 113.70 114.57 1uhc s SER 2 Ca 0.00 2.26 -0.31 0.00 1.31 0.00 0.00 55.95 59.20 1uhc s SER 2 Cb 0.00 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.79 1uhc s SER 2 CO 0.00 -1.21 1.19 -0.55 0.41 0.00 0.00 173.24 173.09 1uhc s SER 3 N -1.62 -0.18 0.00 2.44 0.15 -1.26 -5.13 113.70 108.11 1uhc s SER 3 Ca 0.71 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1uhc s SER 3 Cb -0.26 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 1uhc s SER 3 CO 0.30 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1uhc n GLY 4 N 0.38 -1.19 1.09 9.45 0.00 -1.26 -5.17 105.19 108.49 1uhc n GLY 4 Ca -0.03 0.47 0.06 0.00 0.00 0.00 0.00 46.02 46.52 1uhc n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uhc n SER 5 N -0.43 -5.91 -3.15 1.61 2.88 -1.26 -5.03 113.62 102.34 1uhc n SER 5 Ca 0.00 1.21 0.05 0.00 -1.33 0.00 0.00 58.87 58.80 1uhc n SER 5 Cb 0.00 -3.51 -0.01 0.00 -0.75 0.00 0.00 64.21 59.94 1uhc n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhc s SER 6 N -5.57 -0.93 0.25 -3.46 0.01 -1.26 -5.14 113.70 97.59 1uhc s SER 6 Ca 0.00 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1uhc s SER 6 Cb 0.00 1.66 0.00 0.00 0.21 0.00 0.00 66.02 67.89 1uhc s SER 6 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1uhc n GLY 7 N 5.34 0.57 1.61 3.44 0.00 -1.26 -4.85 105.19 110.03 1uhc n GLY 7 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.75 0.33 0.00 1.61 7.64 -1.26 -5.03 113.62 113.15 1uhc n SER 8 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1uhc n SER 8 Cb 0.00 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 -3.44 0.00 -1.26 1.43 2.13 -1.26 -5.15 120.64 113.10 1uhc n GLU 9 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1uhc n GLU 9 Cb 0.00 -0.29 0.00 0.00 0.27 0.00 0.00 31.44 31.42 1uhc n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1uhc n ALA 10 N -2.06 -2.48 -2.23 4.31 0.00 -1.26 -5.05 120.51 111.73 1uhc n ALA 10 Ca 0.00 0.26 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 1uhc n ALA 10 Cb 0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1uhc n ALA 10 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1uhc s GLU 11 N -2.09 2.50 0.00 0.00 2.02 -1.26 -5.13 118.70 114.74 1uhc s GLU 11 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.40 1uhc s GLU 11 Cb 0.00 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1uhc s GLU 11 CO 0.00 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1uhc n GLY 12 N -1.59 1.02 2.44 -1.39 0.00 -1.26 -5.08 105.19 99.33 1uhc n GLY 12 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1uhc n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uhc n ASN 13 N 0.00 -6.70 -1.57 1.61 4.13 -1.26 -4.89 115.26 106.57 1uhc n ASN 13 Ca 0.00 1.73 0.04 0.00 1.68 0.00 0.00 54.58 58.02 1uhc n ASN 13 Cb 0.00 -5.29 -0.02 0.00 -1.54 0.00 0.00 39.78 32.93 1uhc n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uhc n GLN 14 N 1.81 -3.95 -3.56 3.52 6.02 -1.26 -5.05 117.38 114.91 1uhc n GLN 14 Ca -0.14 3.10 0.01 0.00 -0.01 0.00 0.00 57.00 59.96 1uhc n GLN 14 Cb 0.21 -4.00 -0.06 0.00 1.02 0.00 0.00 30.24 27.42 1uhc n GLN 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1uhc s VAL 15 N -5.19 -0.07 0.09 5.09 0.11 -1.26 -5.06 120.40 114.11 1uhc s VAL 15 Ca 0.00 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 1uhc s VAL 15 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1uhc s VAL 15 CO 0.00 0.00 -0.23 -0.31 -3.33 0.00 0.00 175.10 171.23 1uhc s TYR 16 N 1.43 2.41 0.12 1.54 1.51 -1.26 0.05 117.35 123.16 1uhc s TYR 16 Ca -0.07 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.72 1uhc s TYR 16 Cb -0.03 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1uhc s TYR 16 CO -0.13 0.29 -0.14 -0.59 -1.11 0.00 0.00 175.55 173.87 1uhc s PHE 17 N -1.00 1.42 0.29 2.71 -0.12 -0.69 -1.52 117.98 119.07 1uhc s PHE 17 Ca 0.15 -0.55 -0.29 0.00 -0.05 0.00 0.00 56.93 56.18 1uhc s PHE 17 Cb -0.10 -0.74 -0.10 0.00 -0.63 0.00 0.00 43.02 41.44 1uhc s PHE 17 CO 0.06 0.15 1.43 0.00 -0.05 0.00 0.00 175.22 176.81 1uhc s ALA 18 N -2.10 3.60 -0.16 1.99 0.00 0.30 -0.77 121.76 124.63 1uhc s ALA 18 Ca 0.09 1.37 -0.20 0.00 0.00 0.00 0.00 51.96 53.22 1uhc s ALA 18 Cb -0.05 -3.56 -0.17 0.00 0.00 0.00 0.00 23.12 19.34 1uhc s ALA 18 CO 0.03 -0.79 0.33 0.28 0.00 0.00 0.00 175.76 175.62 1uhc h VAL 19 N 3.32 0.99 -3.47 0.00 2.07 -1.67 1.57 116.25 119.06 1uhc h VAL 19 Ca -0.47 -1.93 -0.66 0.00 0.82 0.00 0.00 66.70 64.46 1uhc h VAL 19 Cb 1.22 2.06 -0.16 0.00 -1.52 0.00 0.00 31.29 32.89 1uhc h VAL 19 CO 0.73 0.34 -0.75 -0.31 0.02 0.00 0.00 177.57 177.59 1uhc s TYR 20 N -2.19 2.67 -0.39 1.57 2.02 -1.26 -3.93 117.35 115.84 1uhc s TYR 20 Ca -0.20 -0.20 -0.27 0.00 -0.37 0.00 0.00 57.07 56.04 1uhc s TYR 20 Cb 0.01 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.15 1uhc s TYR 20 CO 0.50 0.44 2.17 0.99 -1.57 0.00 0.00 175.55 178.08 1uhc s THR 21 N -1.31 3.13 0.50 -0.71 2.01 -1.26 -4.23 115.64 113.77 1uhc s THR 21 Ca 0.21 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1uhc s THR 21 Cb -0.10 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.18 1uhc s THR 21 CO 0.13 -0.20 0.73 0.12 -0.69 0.00 0.00 174.62 174.71 1uhc s PHE 22 N 9.62 3.10 -0.02 4.92 5.36 -0.15 -4.90 117.98 135.91 1uhc s PHE 22 Ca 0.92 0.18 -0.06 0.00 -0.96 0.00 0.00 56.93 57.01 1uhc s PHE 22 Cb -0.23 -2.51 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 1uhc s PHE 22 CO 0.30 -0.58 0.12 0.21 -1.46 0.00 0.00 175.22 173.80 1uhc s LYS 23 N -4.67 0.34 -0.21 10.12 2.47 -1.26 -2.95 119.74 123.59 1uhc s LYS 23 Ca 0.52 -0.20 -0.29 0.00 -1.56 0.00 0.00 55.97 54.44 1uhc s LYS 23 Cb -0.10 0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.41 1uhc s LYS 23 CO 0.39 -0.07 1.13 0.00 0.16 0.00 0.00 175.35 176.96 1uhc s ALA 24 N -0.84 3.67 -0.09 3.13 0.00 -1.26 -4.81 121.76 121.56 1uhc s ALA 24 Ca -0.09 0.28 0.17 0.00 0.00 0.00 0.00 51.96 52.32 1uhc s ALA 24 Cb -0.05 -3.58 -0.26 0.00 0.00 0.00 0.00 23.12 19.22 1uhc s ALA 24 CO 0.01 -1.12 0.25 0.54 0.00 0.00 0.00 175.76 175.44 1uhc n ARG 25 N 6.46 0.83 -4.53 0.00 5.12 -1.26 -4.96 116.66 118.32 1uhc n ARG 25 Ca 0.13 -0.10 -0.26 0.00 -1.93 0.00 0.00 57.85 55.69 1uhc n ARG 25 Cb 0.46 -1.45 -0.10 0.00 -1.16 0.00 0.00 32.46 30.20 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 -4.62 3.69 0.00 0.55 -0.87 -1.26 -5.01 114.94 107.42 1uhc s ASN 26 Ca -0.08 -1.17 0.24 0.00 -1.57 0.00 0.00 52.86 50.28 1uhc s ASN 26 Cb 0.09 -0.34 1.42 0.00 -0.02 0.00 0.00 41.25 42.40 1uhc s ASN 26 CO 0.76 -0.16 1.78 -0.81 -2.57 0.00 0.00 177.10 176.09 1uhc n PRO 27 N -0.76 0.75 -0.51 -0.60 -0.04 -1.26 -2.25 135.00 130.33 1uhc n PRO 27 Ca -0.05 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.46 1uhc n PRO 27 Cb 0.63 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.00 2.29 -4.15 3.54 4.13 -1.26 -5.00 115.26 113.81 1uhc n ASN 28 Ca 0.18 -3.59 -0.14 0.00 1.68 0.00 0.00 54.58 52.71 1uhc n ASN 28 Cb 0.08 -0.54 -0.11 0.00 -1.54 0.00 0.00 39.78 37.68 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 -3.11 0.76 -0.01 3.52 2.02 -0.95 -1.89 118.70 119.03 1uhc s GLU 29 Ca 0.39 -1.05 0.05 0.00 0.02 0.00 0.00 54.97 54.38 1uhc s GLU 29 Cb 0.36 -0.48 -0.03 0.00 0.10 0.00 0.00 34.13 34.08 1uhc s GLU 29 CO -0.01 0.08 -0.16 -1.17 0.02 0.00 0.00 175.26 174.02 1uhc s LEU 30 N -2.20 2.68 -0.01 1.80 2.96 -1.25 -4.71 118.68 117.93 1uhc s LEU 30 Ca 0.01 -0.29 -0.20 0.00 -0.22 0.00 0.00 54.13 53.44 1uhc s LEU 30 Cb -0.05 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1uhc s LEU 30 CO -0.00 0.31 0.56 -0.94 -1.32 0.00 0.00 176.35 174.96 1uhc s SER 31 N -1.00 6.93 0.20 3.68 1.04 -1.26 -4.29 113.70 118.99 1uhc s SER 31 Ca 0.13 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.67 1uhc s SER 31 Cb -0.11 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 1uhc s SER 31 CO 0.02 0.12 0.08 0.68 0.98 0.00 0.00 173.24 175.13 1uhc s VAL 32 N -0.21 0.28 0.54 5.02 -7.23 -1.15 -4.93 120.40 112.72 1uhc s VAL 32 Ca 0.30 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1uhc s VAL 32 Cb -0.18 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1uhc s VAL 32 CO 0.16 -0.18 0.28 -0.44 -0.31 0.00 0.00 175.10 174.62 1uhc s SER 33 N -3.18 4.48 0.37 4.85 0.01 -1.26 -0.98 113.70 117.99 1uhc s SER 33 Ca 0.33 -1.38 -0.25 0.00 1.31 0.00 0.00 55.95 55.96 1uhc s SER 33 Cb 0.07 0.47 -0.09 0.00 0.21 0.00 0.00 66.02 66.68 1uhc s SER 33 CO 0.09 -1.04 1.04 0.00 0.41 0.00 0.00 173.24 173.74 1uhc s ALA 34 N -2.81 3.15 -1.75 1.44 0.00 -1.26 -2.92 121.76 117.61 1uhc s ALA 34 Ca 0.25 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1uhc s ALA 34 Cb -0.01 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1uhc s ALA 34 CO 0.15 -0.15 0.00 0.09 0.00 0.00 0.00 175.76 175.86 1uhc n ASN 35 N 0.21 -5.27 -4.66 0.00 3.02 0.54 -4.93 115.26 104.17 1uhc n ASN 35 Ca 0.04 0.19 -0.38 0.00 -0.03 0.00 0.00 54.58 54.39 1uhc n ASN 35 Cb 0.49 -4.50 -0.08 0.00 -0.61 0.00 0.00 39.78 35.08 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 -4.52 4.15 0.58 3.52 2.00 -1.15 -4.77 119.66 119.47 1uhc s GLN 36 Ca 0.00 0.20 -0.20 0.00 -2.00 0.00 0.00 55.36 53.36 1uhc s GLN 36 Cb 0.00 -3.55 -0.04 0.00 0.80 0.00 0.00 33.01 30.22 1uhc s GLN 36 CO 0.00 -0.08 1.24 0.21 -0.50 0.00 0.00 175.29 176.16 1uhc s LYS 37 N 1.44 3.04 -0.28 1.67 2.20 -1.26 0.11 119.74 126.66 1uhc s LYS 37 Ca 0.19 1.93 -0.17 0.00 -0.36 0.00 0.00 55.97 57.56 1uhc s LYS 37 Cb -0.15 -2.03 0.09 0.00 -1.51 0.00 0.00 37.83 34.23 1uhc s LYS 37 CO 0.08 -1.18 0.75 -0.48 -0.36 0.00 0.00 175.35 174.17 1uhc s LEU 38 N -3.89 -0.84 -0.51 5.43 0.05 -0.58 -4.81 118.68 113.53 1uhc s LEU 38 Ca 0.76 1.36 -0.26 0.00 0.05 0.00 0.00 54.13 56.04 1uhc s LEU 38 Cb -0.33 2.26 0.03 0.00 -2.05 0.00 0.00 46.19 46.10 1uhc s LEU 38 CO 0.37 -0.22 0.99 -0.75 -0.55 0.00 0.00 176.35 176.19 1uhc s LYS 39 N 1.47 3.47 -0.62 1.48 2.47 -1.17 -4.02 119.74 122.82 1uhc s LYS 39 Ca -0.09 0.05 -0.26 0.00 -1.56 0.00 0.00 55.97 54.11 1uhc s LYS 39 Cb -0.05 -3.98 -0.02 0.00 -1.46 0.00 0.00 37.83 32.31 1uhc s LYS 39 CO -0.17 -1.40 1.89 0.42 0.16 0.00 0.00 175.35 176.24 1uhc s ILE 40 N 4.07 3.34 0.00 5.43 -1.09 -1.26 -1.75 121.20 129.94 1uhc s ILE 40 Ca 0.36 0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.93 1uhc s ILE 40 Cb -0.10 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 1uhc s ILE 40 CO 0.24 -0.87 0.71 -0.07 -1.23 0.00 0.00 174.94 173.72 1uhc h LEU 41 N 16.64 -0.07-10.09 2.97 3.38 0.17 -3.48 115.31 124.83 1uhc h LEU 41 Ca -0.25 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.05 1uhc h LEU 41 Cb 1.16 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.80 1uhc h LEU 41 CO 1.22 -0.04 -0.50 -1.61 0.09 0.00 0.00 178.44 177.60 1uhc s GLU 42 N -2.55 2.22 -0.12 1.13 2.02 -1.18 -4.98 118.70 115.24 1uhc s GLU 42 Ca -0.01 -2.42 0.16 0.00 0.02 0.00 0.00 54.97 52.72 1uhc s GLU 42 Cb 0.00 -1.55 0.38 0.00 0.10 0.00 0.00 34.13 33.07 1uhc s GLU 42 CO 0.04 -0.40 1.18 1.19 0.02 0.00 0.00 175.26 177.29 1uhc n PHE 43 N -1.31 0.00 -3.49 1.61 3.72 -1.26 -2.77 117.46 113.96 1uhc n PHE 43 Ca -0.20 -1.05 0.00 0.00 -0.05 0.00 0.00 57.45 56.15 1uhc n PHE 43 Cb 0.67 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1uhc n PHE 43 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1uhc n LYS 44 N -0.58 0.00 -4.19 -1.08 -0.00 -1.25 -3.92 118.16 107.14 1uhc n LYS 44 Ca 0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.32 1uhc n LYS 44 Cb 0.83 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.76 1uhc n LYS 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1uhc s ASP 45 N -0.86 0.20 0.20 -5.58 1.47 -1.10 -4.42 116.67 106.57 1uhc s ASP 45 Ca 0.00 -1.37 -0.23 0.00 1.18 0.00 0.00 52.55 52.14 1uhc s ASP 45 Cb 0.00 0.41 0.12 0.00 -0.34 0.00 0.00 42.92 43.10 1uhc s ASP 45 CO 0.00 -0.88 1.56 -0.37 0.68 0.00 0.00 175.17 176.16 1uhc h VAL 46 N 2.57 0.03 -0.96 2.11 -1.51 -1.95 1.14 116.25 117.68 1uhc h VAL 46 Ca -0.35 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.28 1uhc h VAL 46 Cb 1.25 0.03 -0.10 0.00 -2.13 0.00 0.00 31.29 30.35 1uhc h VAL 46 CO 0.51 0.00 0.57 0.71 -1.23 0.00 0.00 177.57 178.13 1uhc h THR 47 N -0.06 0.79 0.00 7.19 1.35 -2.02 -3.46 112.91 116.69 1uhc h THR 47 Ca 0.26 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1uhc h THR 47 Cb 0.55 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1uhc h THR 47 CO -0.89 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 175.14 1uhc n GLY 48 N -1.33 0.76 2.86 5.82 0.00 0.39 -5.14 105.19 108.56 1uhc n GLY 48 Ca 0.20 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.46 0.34 -0.13 1.61 2.47 -1.26 -4.84 114.94 111.67 1uhc s ASN 49 Ca 0.00 -0.03 -0.05 0.00 0.42 0.00 0.00 52.86 53.20 1uhc s ASN 49 Cb 0.00 -0.12 -0.16 0.00 -1.45 0.00 0.00 41.25 39.52 1uhc s ASN 49 CO 0.00 -0.04 3.29 0.35 -3.72 0.00 0.00 177.10 176.99 1uhc n THR 50 N 3.58 3.05 -0.02 -5.21 -2.24 -1.25 -2.70 114.28 109.48 1uhc n THR 50 Ca -0.20 -1.89 -0.00 0.00 -2.27 0.00 0.00 64.05 59.69 1uhc n THR 50 Cb 0.55 -1.85 -0.05 0.00 -2.10 0.00 0.00 70.33 66.88 1uhc n THR 50 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1uhc n GLU 51 N 1.96 1.77 -4.00 -0.78 0.28 -1.26 -4.89 120.64 113.72 1uhc n GLU 51 Ca 0.43 -0.03 -0.31 0.00 -0.16 0.00 0.00 57.16 57.09 1uhc n GLU 51 Cb 0.79 -1.15 -0.15 0.00 1.43 0.00 0.00 31.44 32.36 1uhc n GLU 51 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1uhc s TRP 52 N -2.28 2.85 0.17 -1.84 0.52 -1.24 -2.59 118.94 114.53 1uhc s TRP 52 Ca -0.03 -2.08 -0.18 0.00 0.02 0.00 0.00 56.10 53.83 1uhc s TRP 52 Cb 0.03 -1.82 -0.07 0.00 -1.15 0.00 0.00 33.47 30.45 1uhc s TRP 52 CO 0.25 -0.83 0.64 -1.58 0.02 0.00 0.00 176.95 175.45 1uhc s TRP 53 N 1.24 3.67 -0.53 -1.98 0.52 0.17 -3.77 118.94 118.27 1uhc s TRP 53 Ca -0.06 1.26 -0.19 0.00 0.02 0.00 0.00 56.10 57.13 1uhc s TRP 53 Cb -0.19 -2.52 0.06 0.00 -1.15 0.00 0.00 33.47 29.67 1uhc s TRP 53 CO -0.06 0.42 0.66 -1.17 0.02 0.00 0.00 176.95 176.82 1uhc s LEU 54 N -1.78 4.97 -0.02 2.99 2.96 -1.11 0.66 118.68 127.35 1uhc s LEU 54 Ca 0.38 -0.97 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1uhc s LEU 54 Cb -0.17 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1uhc s LEU 54 CO 0.20 -0.96 -0.06 0.00 -1.32 0.00 0.00 176.35 174.21 1uhc s ALA 55 N 2.75 3.02 -0.23 5.97 0.00 -1.16 0.19 121.76 132.29 1uhc s ALA 55 Ca 0.15 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1uhc s ALA 55 Cb -0.20 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.78 1uhc s ALA 55 CO 0.11 0.60 -0.12 -2.00 0.00 0.00 0.00 175.76 174.36 1uhc s GLU 56 N -1.22 2.77 0.00 0.00 2.12 -0.72 -2.97 118.70 118.69 1uhc s GLU 56 Ca 0.16 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.49 1uhc s GLU 56 Cb -0.11 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1uhc s GLU 56 CO 0.06 -0.37 0.00 0.28 -0.54 0.00 0.00 175.26 174.69 1uhc n VAL 57 N 4.60 0.00 -1.08 3.70 0.31 -1.24 -3.02 118.33 121.60 1uhc n VAL 57 Ca -0.18 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.96 1uhc n VAL 57 Cb 0.47 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1uhc n VAL 57 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1uhc n ASN 58 N 0.00 6.43 0.00 4.52 3.02 -1.26 -4.70 115.26 123.27 1uhc n ASN 58 Ca 0.00 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 1uhc n ASN 58 Cb 0.00 -1.13 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 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 0.59 2.84 3.57 7.41 0.00 -1.26 -4.97 105.19 113.37 1uhc n GLY 59 Ca 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.10 2.96 0.15 1.61 1.02 -1.26 -4.96 119.74 119.17 1uhc s LYS 60 Ca 0.00 0.87 -0.25 0.00 0.02 0.00 0.00 55.97 56.60 1uhc s LYS 60 Cb 0.00 -4.28 -0.08 0.00 -0.52 0.00 0.00 37.83 32.95 1uhc s LYS 60 CO 0.00 -2.32 0.78 0.15 -0.92 0.00 0.00 175.35 173.04 1uhc s LYS 61 N 6.35 4.56 -0.14 1.68 1.02 -1.26 -3.65 119.74 128.29 1uhc s LYS 61 Ca 0.69 1.15 -0.29 0.00 0.02 0.00 0.00 55.97 57.54 1uhc s LYS 61 Cb -0.15 -3.28 0.08 0.00 -0.52 0.00 0.00 37.83 33.96 1uhc s LYS 61 CO 0.26 0.53 0.76 0.20 -0.92 0.00 0.00 175.35 176.18 1uhc s GLY 62 N -1.00 -0.49 -0.16 -3.33 0.00 -1.16 -4.68 107.32 96.50 1uhc s GLY 62 Ca 0.36 1.69 -0.29 0.00 0.00 0.00 0.00 44.72 46.48 1uhc s GLY 62 CO 0.26 1.23 1.42 -0.19 0.00 0.00 0.00 173.10 175.81 1uhc s TYR 63 N -0.69 2.50 0.33 1.90 2.02 -0.79 -2.99 117.35 119.61 1uhc s TYR 63 Ca -0.06 0.71 0.08 0.00 -0.37 0.00 0.00 57.07 57.44 1uhc s TYR 63 Cb -0.02 -3.72 -0.04 0.00 -0.40 0.00 0.00 41.96 37.78 1uhc s TYR 63 CO 0.05 -2.44 0.14 0.08 -1.57 0.00 0.00 175.55 171.81 1uhc s VAL 64 N 3.98 3.16 0.39 0.71 1.01 0.21 -3.91 120.40 125.96 1uhc s VAL 64 Ca 0.62 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 1uhc s VAL 64 Cb -0.25 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 1uhc s VAL 64 CO 0.21 -0.21 1.06 -2.16 0.00 0.00 0.00 175.10 174.01 1uhc s PRO 65 N -3.84 4.20 0.00 2.72 0.04 -1.26 0.45 135.00 137.31 1uhc s PRO 65 Ca 0.37 1.55 0.17 0.00 0.04 0.00 0.00 61.00 63.13 1uhc s PRO 65 Cb -0.03 -2.61 0.69 0.00 0.04 0.00 0.00 34.50 32.59 1uhc s PRO 65 CO 0.23 -0.12 1.49 -1.13 0.04 0.00 0.00 177.00 177.51 1uhc n SER 66 N 0.05 1.17 -0.09 6.66 3.41 -1.07 -3.32 113.62 120.45 1uhc n SER 66 Ca 0.04 -1.72 -0.07 0.00 -0.26 0.00 0.00 58.87 56.86 1uhc n SER 66 Cb 0.49 -0.10 -0.16 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.03 0.04 -2.41 4.04 2.85 -1.26 -4.36 115.26 114.19 1uhc n ASN 67 Ca 0.13 0.02 -0.33 0.00 -0.11 0.00 0.00 54.58 54.30 1uhc n ASN 67 Cb 0.23 1.06 0.05 0.00 1.24 0.00 0.00 39.78 42.37 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 -2.71 2.77 -4.41 1.20 4.01 -1.21 -4.90 117.16 111.90 1uhc n TYR 68 Ca -0.29 -2.60 -0.26 0.00 -0.16 0.00 0.00 57.90 54.59 1uhc n TYR 68 Cb 1.09 -1.31 -0.12 0.00 -0.31 0.00 0.00 39.34 38.69 1uhc n TYR 68 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1uhc s ILE 69 N -4.26 2.28 0.05 -0.72 -1.09 -1.26 -2.02 121.20 114.18 1uhc s ILE 69 Ca 0.56 -2.03 -0.07 0.00 -2.23 0.00 0.00 60.65 56.88 1uhc s ILE 69 Cb 0.44 -2.09 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 1uhc s ILE 69 CO -0.12 -0.16 0.13 -0.13 -1.23 0.00 0.00 174.94 173.43 1uhc s ARG 70 N -2.72 0.69 -0.19 2.79 1.81 0.05 -4.64 118.95 116.74 1uhc s ARG 70 Ca 0.20 -0.83 -0.06 0.00 -1.72 0.00 0.00 55.73 53.33 1uhc s ARG 70 Cb -0.07 0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 1uhc s ARG 70 CO 0.10 -0.19 0.02 0.21 -0.68 0.00 0.00 175.30 174.75 1uhc s LYS 71 N -3.09 3.73 0.39 3.54 2.20 -1.26 -1.71 119.74 123.55 1uhc s LYS 71 Ca -0.01 -0.47 0.08 0.00 -0.36 0.00 0.00 55.97 55.21 1uhc s LYS 71 Cb 0.02 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1uhc s LYS 71 CO -0.07 0.12 0.35 0.99 -0.36 0.00 0.00 175.35 176.37 1uhc s THR 72 N 0.74 2.93 0.15 3.43 2.01 0.11 -4.95 115.64 120.06 1uhc s THR 72 Ca 0.01 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 60.65 1uhc s THR 72 Cb -0.14 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1uhc s THR 72 CO 0.02 -0.06 0.00 -0.62 -0.69 0.00 0.00 174.62 173.27 1uhc n GLU 73 N -1.48 0.00 -2.35 4.92 4.71 -1.26 -4.37 120.64 120.81 1uhc n GLU 73 Ca 0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.14 1uhc n GLU 73 Cb 0.61 -0.11 0.00 0.00 -1.01 0.00 0.00 31.44 30.93 1uhc n GLU 73 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1uhc n SER 74 N -3.13 -5.91 -4.45 1.62 2.88 -1.26 -4.96 113.62 98.41 1uhc n SER 74 Ca 0.00 0.58 -0.33 0.00 -1.33 0.00 0.00 58.87 57.79 1uhc n SER 74 Cb 0.05 -3.86 0.13 0.00 -0.75 0.00 0.00 64.21 59.77 1uhc n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhc n GLY 75 N -0.05 -1.81 0.19 0.46 0.00 -1.26 -4.93 105.19 97.79 1uhc n GLY 75 Ca 0.05 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 1uhc n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhc h PRO 76 N -1.62 0.63 -3.79 1.61 0.13 -2.09 -3.38 132.00 123.49 1uhc h PRO 76 Ca -0.44 -0.62 -0.79 0.00 -0.87 0.00 0.00 66.00 63.29 1uhc h PRO 76 Cb 1.28 0.16 -0.26 0.00 0.13 0.00 0.00 31.00 32.31 1uhc h PRO 76 CO 0.35 1.22 0.30 0.45 -0.23 0.00 0.00 178.00 180.09 1uhc s SER 77 N -7.17 6.99 0.18 1.44 0.15 -1.26 -5.00 113.70 109.04 1uhc s SER 77 Ca -0.09 -3.03 0.01 0.00 0.70 0.00 0.00 55.95 53.54 1uhc s SER 77 Cb 0.08 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 1uhc s SER 77 CO 0.90 -0.48 0.02 -0.55 1.20 0.00 0.00 173.24 174.33 1uhc s SER 78 N 1.90 1.11 0.00 5.45 0.15 -1.26 -5.22 113.70 115.83 1uhc s SER 78 Ca 0.24 -1.21 0.32 0.00 0.70 0.00 0.00 55.95 56.00 1uhc s SER 78 Cb -0.10 0.14 1.81 0.00 -1.71 0.00 0.00 66.02 66.17 1uhc s SER 78 CO -0.08 -0.61 2.18 0.61 1.20 0.00 0.00 173.24 176.53