#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 -0.10 0.54 1.61 1.04 -1.26 -5.15 113.70 110.38 1uhc s SER 2 Ca 0.00 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1uhc s SER 2 Cb 0.00 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.23 1uhc s SER 2 CO 0.00 -0.02 0.00 -1.20 0.98 0.00 0.00 173.24 173.00 1uhc n SER 3 N 4.79 -6.75 0.00 7.02 7.64 -1.26 -5.07 113.62 119.98 1uhc n SER 3 Ca -0.07 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1uhc n SER 3 Cb 0.55 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.47 1uhc n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhc n GLY 4 N -3.98 0.96 2.55 0.23 0.00 -1.26 -5.04 105.19 98.66 1uhc n GLY 4 Ca -0.08 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 0.60 -0.24 1.61 1.04 -1.26 -5.11 113.70 110.33 1uhc s SER 5 Ca 0.00 -2.46 -0.33 0.00 0.48 0.00 0.00 55.95 53.64 1uhc s SER 5 Cb 0.00 0.37 0.16 0.00 0.10 0.00 0.00 66.02 66.65 1uhc s SER 5 CO 0.00 -0.15 1.28 -0.55 0.98 0.00 0.00 173.24 174.79 1uhc s SER 6 N 0.51 -0.10 -1.00 7.02 0.15 -1.26 -5.09 113.70 113.92 1uhc s SER 6 Ca 0.29 0.06 -0.05 0.00 0.70 0.00 0.00 55.95 56.96 1uhc s SER 6 Cb -0.01 0.09 0.25 0.00 -1.71 0.00 0.00 66.02 64.65 1uhc s SER 6 CO -0.13 -0.13 0.97 0.61 1.20 0.00 0.00 173.24 175.76 1uhc n GLY 7 N 0.26 4.22 1.80 9.45 0.00 -1.26 -4.53 105.19 115.13 1uhc n GLY 7 Ca -0.00 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 2.39 -2.94 -3.65 1.61 7.64 -1.26 -5.14 113.62 112.27 1uhc n SER 8 Ca 0.23 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1uhc n SER 8 Cb 0.38 2.87 -0.06 0.00 -1.01 0.00 0.00 64.21 66.38 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 -2.00 0.15 -0.04 1.43 2.02 -1.26 -5.16 118.70 113.84 1uhc s GLU 9 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1uhc s GLU 9 Cb 0.00 0.03 0.03 0.00 0.10 0.00 0.00 34.13 34.29 1uhc s GLU 9 CO 0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 175.26 175.24 1uhc s ALA 10 N 1.04 0.50 -0.34 5.21 0.00 -1.26 -4.95 121.76 121.97 1uhc s ALA 10 Ca -0.07 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 1uhc s ALA 10 Cb -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1uhc s ALA 10 CO -0.12 -0.17 0.36 -1.91 0.00 0.00 0.00 175.76 173.93 1uhc n GLU 11 N 4.42 -2.28 0.00 0.00 0.00 -1.26 -4.97 120.64 116.55 1uhc n GLU 11 Ca -0.20 1.96 0.00 0.00 0.00 0.00 0.00 57.16 58.92 1uhc n GLU 11 Cb 0.50 -4.12 0.00 0.00 0.00 0.00 0.00 31.44 27.82 1uhc n GLU 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1uhc n GLY 12 N 0.24 2.50 2.57 8.31 0.00 -1.26 -5.13 105.19 112.42 1uhc n GLY 12 Ca 0.03 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.23 1uhc n GLY 12 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uhc n ASN 13 N 0.00 -0.42 -4.31 1.61 5.15 -1.26 -4.89 115.26 111.14 1uhc n ASN 13 Ca 0.00 1.34 -0.35 0.00 -0.60 0.00 0.00 54.58 54.97 1uhc n ASN 13 Cb 0.00 -5.23 0.08 0.00 -0.53 0.00 0.00 39.78 34.10 1uhc n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1uhc n GLN 14 N 1.70 -0.06 -3.65 1.20 0.00 -1.26 -5.02 117.38 110.29 1uhc n GLN 14 Ca -0.42 0.01 -0.03 0.00 0.00 0.00 0.00 57.00 56.56 1uhc n GLN 14 Cb 0.65 -1.57 -0.05 0.00 0.00 0.00 0.00 30.24 29.27 1uhc n GLN 14 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1uhc s VAL 15 N -2.16 -0.71 0.21 -0.39 1.01 -1.26 -5.04 120.40 112.07 1uhc s VAL 15 Ca 0.54 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.62 1uhc s VAL 15 Cb -0.25 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1uhc s VAL 15 CO 0.69 0.00 -0.10 -0.31 0.00 0.00 0.00 175.10 175.39 1uhc s TYR 16 N 2.53 2.59 0.02 5.22 1.51 -1.26 -3.27 117.35 124.70 1uhc s TYR 16 Ca -0.07 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1uhc s TYR 16 Cb -0.10 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1uhc s TYR 16 CO -0.19 0.56 -0.07 -0.59 -1.11 0.00 0.00 175.55 174.15 1uhc s PHE 17 N -1.93 0.57 -0.05 2.71 -0.12 -0.99 -2.02 117.98 116.15 1uhc s PHE 17 Ca 0.27 -0.35 -0.36 0.00 -0.05 0.00 0.00 56.93 56.44 1uhc s PHE 17 Cb -0.08 -0.35 -0.14 0.00 -0.63 0.00 0.00 43.02 41.82 1uhc s PHE 17 CO 0.16 -0.06 1.71 0.00 -0.05 0.00 0.00 175.22 176.97 1uhc n ALA 18 N 2.02 0.49 0.25 1.99 0.00 0.09 -1.16 120.51 124.19 1uhc n ALA 18 Ca -0.19 0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1uhc n ALA 18 Cb 0.56 -2.34 0.62 0.00 0.00 0.00 0.00 19.45 18.28 1uhc n ALA 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uhc h VAL 19 N 4.69 0.42 -2.95 0.00 2.07 -1.37 -1.88 116.25 117.24 1uhc h VAL 19 Ca -0.47 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 1uhc h VAL 19 Cb 1.29 1.56 -0.17 0.00 -1.52 0.00 0.00 31.29 32.44 1uhc h VAL 19 CO 0.91 0.14 -0.11 -0.31 0.02 0.00 0.00 177.57 178.22 1uhc s TYR 20 N -3.83 -0.28 0.03 1.57 2.02 -1.26 -4.73 117.35 110.86 1uhc s TYR 20 Ca -0.01 0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.70 1uhc s TYR 20 Cb 0.11 0.21 -0.08 0.00 -0.40 0.00 0.00 41.96 41.80 1uhc s TYR 20 CO 0.59 -0.55 1.92 0.99 -1.57 0.00 0.00 175.55 176.94 1uhc s THR 21 N -2.19 3.08 0.32 -0.71 2.01 -1.26 -4.45 115.64 112.44 1uhc s THR 21 Ca -0.07 0.12 0.10 0.00 0.31 0.00 0.00 61.69 62.15 1uhc s THR 21 Cb -0.01 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 1uhc s THR 21 CO -0.00 -0.01 -0.14 0.12 -0.69 0.00 0.00 174.62 173.90 1uhc s PHE 22 N 4.34 2.35 0.03 4.92 5.36 0.99 -4.89 117.98 131.08 1uhc s PHE 22 Ca 0.86 -0.44 0.03 0.00 -0.96 0.00 0.00 56.93 56.42 1uhc s PHE 22 Cb -0.42 -1.23 -0.02 0.00 -0.34 0.00 0.00 43.02 41.02 1uhc s PHE 22 CO 0.40 0.63 -0.09 0.21 -1.46 0.00 0.00 175.22 174.91 1uhc s LYS 23 N -3.57 0.62 -0.09 10.12 2.20 -1.26 -2.81 119.74 124.94 1uhc s LYS 23 Ca 0.31 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1uhc s LYS 23 Cb -0.00 -0.52 -0.02 0.00 -1.51 0.00 0.00 37.83 35.78 1uhc s LYS 23 CO 0.16 0.12 1.13 0.00 -0.36 0.00 0.00 175.35 176.40 1uhc s ALA 24 N -0.88 3.49 -0.19 3.13 0.00 -1.26 -4.82 121.76 121.23 1uhc s ALA 24 Ca -0.03 0.50 0.17 0.00 0.00 0.00 0.00 51.96 52.60 1uhc s ALA 24 Cb -0.07 -3.50 -0.24 0.00 0.00 0.00 0.00 23.12 19.31 1uhc s ALA 24 CO 0.01 -0.75 0.07 0.54 0.00 0.00 0.00 175.76 175.62 1uhc n ARG 25 N 5.29 0.87 -4.20 0.00 5.12 -1.26 -4.94 116.66 117.54 1uhc n ARG 25 Ca 0.10 -0.01 -0.24 0.00 -1.93 0.00 0.00 57.85 55.78 1uhc n ARG 25 Cb 0.47 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 30.21 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 -5.33 4.50 0.00 0.55 0.01 -1.26 -5.00 114.94 108.40 1uhc s ASN 26 Ca -0.09 -0.83 0.23 0.00 -0.71 0.00 0.00 52.86 51.46 1uhc s ASN 26 Cb 0.06 -0.68 1.27 0.00 0.41 0.00 0.00 41.25 42.31 1uhc s ASN 26 CO 0.78 -0.24 1.77 -0.81 -1.51 0.00 0.00 177.10 177.09 1uhc n PRO 27 N -1.05 0.51 -0.01 -0.60 -0.04 -1.26 -2.17 135.00 130.38 1uhc n PRO 27 Ca -0.04 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1uhc n PRO 27 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.16 0.86 -4.74 3.54 4.13 -1.26 -4.98 115.26 111.65 1uhc n ASN 28 Ca 0.14 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.12 1uhc n ASN 28 Cb 0.14 1.78 0.11 0.00 -1.54 0.00 0.00 39.78 40.26 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 -3.22 1.73 0.00 3.52 2.02 -0.92 0.16 118.70 122.00 1uhc s GLU 29 Ca -0.07 -0.13 0.02 0.00 0.02 0.00 0.00 54.97 54.81 1uhc s GLU 29 Cb 0.11 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 1uhc s GLU 29 CO 0.75 -1.68 -0.05 -1.17 0.02 0.00 0.00 175.26 173.13 1uhc s LEU 30 N -5.55 2.06 -0.01 1.80 2.96 -1.24 -4.47 118.68 114.23 1uhc s LEU 30 Ca 0.64 -0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 54.14 1uhc s LEU 30 Cb -0.09 -0.22 -0.04 0.00 0.50 0.00 0.00 46.19 46.34 1uhc s LEU 30 CO 0.49 0.00 0.74 -0.94 -1.32 0.00 0.00 176.35 175.32 1uhc s SER 31 N -0.39 7.10 -0.04 3.68 1.04 -1.26 -4.21 113.70 119.62 1uhc s SER 31 Ca -0.01 1.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.74 1uhc s SER 31 Cb -0.03 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.67 1uhc s SER 31 CO -0.00 -0.06 0.02 0.68 0.98 0.00 0.00 173.24 174.86 1uhc s VAL 32 N 0.41 0.15 1.20 5.02 -7.23 -1.12 -4.93 120.40 113.90 1uhc s VAL 32 Ca 0.39 0.20 -0.19 0.00 -1.81 0.00 0.00 61.98 60.56 1uhc s VAL 32 Cb -0.19 -0.31 0.29 0.00 0.56 0.00 0.00 36.38 36.72 1uhc s VAL 32 CO 0.21 0.19 1.12 -0.44 -0.31 0.00 0.00 175.10 175.87 1uhc s SER 33 N 1.64 0.96 0.32 4.85 0.01 -1.26 -0.01 113.70 120.22 1uhc s SER 33 Ca -0.01 0.58 -0.26 0.00 1.31 0.00 0.00 55.95 57.57 1uhc s SER 33 Cb -0.13 -0.78 -0.10 0.00 0.21 0.00 0.00 66.02 65.22 1uhc s SER 33 CO -0.03 -4.09 0.95 0.00 0.41 0.00 0.00 173.24 170.48 1uhc s ALA 34 N -3.07 3.21 -0.76 1.44 0.00 -1.26 -3.02 121.76 118.30 1uhc s ALA 34 Ca 0.71 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1uhc s ALA 34 Cb -0.09 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1uhc s ALA 34 CO 0.56 0.16 0.00 0.09 0.00 0.00 0.00 175.76 176.56 1uhc n ASN 35 N 0.55 -5.56 -4.82 0.00 3.02 -0.70 -4.91 115.26 102.83 1uhc n ASN 35 Ca 0.02 0.18 -0.33 0.00 -0.03 0.00 0.00 54.58 54.42 1uhc n ASN 35 Cb 0.50 -3.68 -0.04 0.00 -0.61 0.00 0.00 39.78 35.95 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 -2.49 3.93 -0.13 3.52 2.00 -1.17 -4.80 119.66 120.52 1uhc s GLN 36 Ca 0.00 1.09 -0.10 0.00 -2.00 0.00 0.00 55.36 54.35 1uhc s GLN 36 Cb 0.00 -2.13 -0.05 0.00 0.80 0.00 0.00 33.01 31.63 1uhc s GLN 36 CO 0.00 -0.29 0.19 0.15 -0.50 0.00 0.00 175.29 174.84 1uhc s LYS 37 N -3.71 3.81 0.03 1.67 1.02 -1.26 -0.73 119.74 120.56 1uhc s LYS 37 Ca 0.61 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.57 1uhc s LYS 37 Cb -0.11 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1uhc s LYS 37 CO 0.25 0.57 -0.08 -0.48 -0.92 0.00 0.00 175.35 174.69 1uhc s LEU 38 N -0.45 2.16 -0.48 3.17 -0.00 -0.86 -4.73 118.68 117.48 1uhc s LEU 38 Ca 0.14 -0.37 -0.18 0.00 -0.00 0.00 0.00 54.13 53.72 1uhc s LEU 38 Cb -0.12 -0.28 0.06 0.00 -0.00 0.00 0.00 46.19 45.85 1uhc s LEU 38 CO 0.03 -0.07 0.52 -0.75 -0.00 0.00 0.00 176.35 176.09 1uhc s LYS 39 N -0.99 3.07 -0.37 1.48 2.47 -0.39 -4.14 119.74 120.86 1uhc s LYS 39 Ca -0.04 -1.04 -0.28 0.00 -1.56 0.00 0.00 55.97 53.05 1uhc s LYS 39 Cb -0.07 -4.10 -0.03 0.00 -1.46 0.00 0.00 37.83 32.18 1uhc s LYS 39 CO 0.00 -1.11 1.90 0.42 0.16 0.00 0.00 175.35 176.72 1uhc s ILE 40 N 2.22 3.37 -0.12 5.43 -1.09 -1.26 -0.52 121.20 129.24 1uhc s ILE 40 Ca 0.11 0.35 -0.07 0.00 -2.23 0.00 0.00 60.65 58.81 1uhc s ILE 40 Cb -0.21 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 1uhc s ILE 40 CO 0.10 -0.42 0.05 -0.07 -1.23 0.00 0.00 174.94 173.38 1uhc h LEU 41 N 14.68 0.00 -8.80 2.97 3.38 0.16 -3.49 115.31 124.21 1uhc h LEU 41 Ca -0.33 -0.14 -0.40 0.00 0.09 0.00 0.00 57.88 57.11 1uhc h LEU 41 Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 1uhc h LEU 41 CO 1.06 0.67 -0.72 -1.61 0.09 0.00 0.00 178.44 177.93 1uhc s GLU 42 N -1.84 1.23 -0.35 1.13 2.02 -1.21 -4.97 118.70 114.70 1uhc s GLU 42 Ca -0.07 -1.55 0.07 0.00 0.02 0.00 0.00 54.97 53.44 1uhc s GLU 42 Cb 0.00 -0.88 0.53 0.00 0.10 0.00 0.00 34.13 33.89 1uhc s GLU 42 CO 0.16 0.11 1.58 1.19 0.02 0.00 0.00 175.26 178.33 1uhc n PHE 43 N -0.32 1.78 -3.88 1.61 3.72 -1.26 -1.90 117.46 117.21 1uhc n PHE 43 Ca -0.09 -1.81 -0.07 0.00 -0.05 0.00 0.00 57.45 55.43 1uhc n PHE 43 Cb 0.61 -0.65 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 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 -3.33 1.77 0.35 -1.08 0.00 -1.20 -4.22 119.74 112.03 1uhc s LYS 44 Ca 0.49 -1.05 0.03 0.00 0.00 0.00 0.00 55.97 55.45 1uhc s LYS 44 Cb 0.43 0.59 0.03 0.00 0.00 0.00 0.00 37.83 38.89 1uhc s LYS 44 CO 0.02 -0.80 0.29 -0.40 0.00 0.00 0.00 175.35 174.46 1uhc n ASP 45 N -0.48 2.01 0.32 0.03 5.68 -0.15 -4.49 116.55 119.46 1uhc n ASP 45 Ca -0.04 -2.16 0.21 0.00 -0.50 0.00 0.00 54.79 52.30 1uhc n ASP 45 Cb 0.59 -0.06 1.07 0.00 -1.14 0.00 0.00 41.12 41.59 1uhc n ASP 45 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1uhc h VAL 46 N 0.54 0.06 -0.98 2.12 -1.51 -1.95 -0.59 116.25 113.93 1uhc h VAL 46 Ca -0.21 -0.14 -0.57 0.00 -1.23 0.00 0.00 66.70 64.55 1uhc h VAL 46 Cb 0.80 1.13 -0.30 0.00 -2.13 0.00 0.00 31.29 30.79 1uhc h VAL 46 CO 0.33 0.01 0.73 0.35 -1.23 0.00 0.00 177.57 177.75 1uhc n THR 47 N -3.15 3.33 -4.27 7.19 -2.24 -1.26 -4.89 114.28 108.98 1uhc n THR 47 Ca -0.02 -2.26 -0.34 0.00 -2.27 0.00 0.00 64.05 59.16 1uhc n THR 47 Cb 0.13 -0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.03 -0.22 3.30 3.38 0.00 -0.23 -4.89 105.19 105.50 1uhc n GLY 48 Ca 0.60 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.80 4.08 -0.15 1.61 2.47 -1.25 -4.83 114.94 113.06 1uhc s ASN 49 Ca 0.33 -0.41 -0.06 0.00 0.42 0.00 0.00 52.86 53.15 1uhc s ASN 49 Cb -0.20 -1.67 -0.18 0.00 -1.45 0.00 0.00 41.25 37.75 1uhc s ASN 49 CO 0.95 0.03 3.40 0.35 -3.72 0.00 0.00 177.10 178.11 1uhc n THR 50 N 4.47 3.12 -0.02 -5.21 -2.24 -1.26 -0.98 114.28 112.16 1uhc n THR 50 Ca -0.19 -1.91 -0.03 0.00 -2.27 0.00 0.00 64.05 59.66 1uhc n THR 50 Cb 0.51 -1.91 -0.03 0.00 -2.10 0.00 0.00 70.33 66.80 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 2.12 1.54 -4.47 -0.78 1.02 -1.26 -4.94 120.64 113.86 1uhc n GLU 51 Ca 0.45 0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 57.27 1uhc n GLU 51 Cb 0.81 -1.10 -0.12 0.00 -0.02 0.00 0.00 31.44 31.01 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 -2.10 3.00 -0.15 -0.32 0.52 -1.24 -1.97 118.94 116.67 1uhc s TRP 52 Ca -0.05 -0.29 -0.05 0.00 0.02 0.00 0.00 56.10 55.74 1uhc s TRP 52 Cb 0.02 -1.91 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1uhc s TRP 52 CO 0.14 -0.00 0.01 -1.58 0.02 0.00 0.00 176.95 175.54 1uhc s TRP 53 N 0.20 3.15 -0.89 -1.98 0.51 0.78 -3.22 118.94 117.49 1uhc s TRP 53 Ca -0.03 -0.03 -0.24 0.00 -2.12 0.00 0.00 56.10 53.68 1uhc s TRP 53 Cb -0.14 -1.96 0.05 0.00 -0.81 0.00 0.00 33.47 30.61 1uhc s TRP 53 CO 0.03 0.17 1.35 -1.17 -0.51 0.00 0.00 176.95 176.82 1uhc s LEU 54 N 0.03 3.48 0.13 2.99 2.96 -0.80 -1.22 118.68 126.25 1uhc s LEU 54 Ca 0.03 -1.06 -0.05 0.00 -0.22 0.00 0.00 54.13 52.83 1uhc s LEU 54 Cb -0.13 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 1uhc s LEU 54 CO 0.02 -1.62 0.36 0.00 -1.32 0.00 0.00 176.35 173.79 1uhc s ALA 55 N 5.13 3.80 -0.13 5.97 0.00 -1.16 0.18 121.76 135.56 1uhc s ALA 55 Ca 0.40 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 1uhc s ALA 55 Cb -0.04 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 20.99 1uhc s ALA 55 CO 0.01 0.67 -0.08 -2.00 0.00 0.00 0.00 175.76 174.36 1uhc s GLU 56 N -2.56 1.66 0.00 0.00 2.12 0.32 -3.06 118.70 117.18 1uhc s GLU 56 Ca 0.40 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1uhc s GLU 56 Cb -0.12 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.53 1uhc s GLU 56 CO 0.24 -0.28 0.00 0.28 -0.54 0.00 0.00 175.26 174.96 1uhc n VAL 57 N 4.90 0.00 -2.40 3.70 0.31 -1.19 -1.26 118.33 122.40 1uhc n VAL 57 Ca -0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.82 1uhc n VAL 57 Cb 0.50 -0.05 0.02 0.00 -0.91 0.00 0.00 33.84 33.40 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 6.94 0.00 4.52 3.02 -1.26 -4.76 115.26 123.72 1uhc n ASN 58 Ca 0.00 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 1uhc n ASN 58 Cb 0.00 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 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 -0.28 2.58 3.59 7.41 0.00 -1.26 -4.98 105.19 112.26 1uhc n GLY 59 Ca 0.47 -0.16 -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 3.24 -0.13 1.61 1.02 -1.26 -4.96 119.74 119.26 1uhc s LYS 60 Ca 0.00 1.45 -0.06 0.00 0.02 0.00 0.00 55.97 57.38 1uhc s LYS 60 Cb 0.00 -4.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.03 1uhc s LYS 60 CO 0.00 -1.97 0.10 0.15 -0.92 0.00 0.00 175.35 172.70 1uhc s LYS 61 N 5.89 3.45 -0.04 1.68 1.02 -1.26 -3.14 119.74 127.33 1uhc s LYS 61 Ca 0.82 -0.23 -0.29 0.00 0.02 0.00 0.00 55.97 56.29 1uhc s LYS 61 Cb -0.23 -3.11 0.10 0.00 -0.52 0.00 0.00 37.83 34.07 1uhc s LYS 61 CO 0.33 0.66 0.83 0.20 -0.92 0.00 0.00 175.35 176.45 1uhc s GLY 62 N -0.71 -0.46 -0.16 -3.33 0.00 -1.17 -4.77 107.32 96.72 1uhc s GLY 62 Ca 0.13 1.32 -0.29 0.00 0.00 0.00 0.00 44.72 45.87 1uhc s GLY 62 CO 0.03 0.67 1.18 -0.19 0.00 0.00 0.00 173.10 174.79 1uhc s TYR 63 N -2.13 3.06 0.33 1.90 2.02 0.12 -2.98 117.35 119.68 1uhc s TYR 63 Ca -0.02 1.19 0.09 0.00 -0.37 0.00 0.00 57.07 57.96 1uhc s TYR 63 Cb -0.01 -3.41 -0.05 0.00 -0.40 0.00 0.00 41.96 38.09 1uhc s TYR 63 CO -0.02 -1.25 0.02 0.08 -1.57 0.00 0.00 175.55 172.81 1uhc s VAL 64 N 3.13 2.79 0.36 0.71 1.01 -0.36 -3.60 120.40 124.44 1uhc s VAL 64 Ca 0.52 -1.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 1uhc s VAL 64 Cb -0.20 -2.81 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 1uhc s VAL 64 CO 0.14 -0.23 1.06 -2.16 0.00 0.00 0.00 175.10 173.91 1uhc s PRO 65 N -3.72 4.33 0.14 2.72 0.04 -1.26 -0.16 135.00 137.09 1uhc s PRO 65 Ca 0.34 1.60 0.26 0.00 0.04 0.00 0.00 61.00 63.25 1uhc s PRO 65 Cb -0.02 -2.76 0.76 0.00 0.04 0.00 0.00 34.50 32.52 1uhc s PRO 65 CO 0.20 -0.02 1.68 -1.13 0.04 0.00 0.00 177.00 177.77 1uhc n SER 66 N 0.35 0.64 0.15 6.66 3.41 -0.83 -2.97 113.62 121.03 1uhc n SER 66 Ca 0.03 0.41 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1uhc n SER 66 Cb 0.48 -0.47 0.27 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.76 4.04 -0.73 -1.92 -3.16 115.58 113.05 1uhc h ASN 67 Ca 0.00 -0.01 -0.40 0.00 1.87 0.00 0.00 56.30 57.76 1uhc h ASN 67 Cb 0.69 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 39.04 1uhc h ASN 67 CO 0.00 0.01 0.37 -1.22 -0.37 0.00 0.00 177.43 176.22 1uhc n TYR 68 N -2.63 2.34 -4.97 0.67 4.02 -1.16 -4.89 117.16 110.55 1uhc n TYR 68 Ca 0.05 -1.80 -0.32 0.00 -0.01 0.00 0.00 57.90 55.81 1uhc n TYR 68 Cb 0.48 -0.79 -0.14 0.00 -0.02 0.00 0.00 39.34 38.87 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 -3.34 2.79 0.16 -0.72 -1.09 -1.20 -1.04 121.20 116.76 1uhc s ILE 69 Ca 0.53 -0.80 0.10 0.00 -2.23 0.00 0.00 60.65 58.24 1uhc s ILE 69 Cb 0.45 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 1uhc s ILE 69 CO 0.06 0.57 -0.22 -0.60 -1.23 0.00 0.00 174.94 173.53 1uhc s ARG 70 N -0.35 1.36 -0.14 2.79 6.06 -0.31 -4.70 118.95 123.67 1uhc s ARG 70 Ca 0.03 -1.42 -0.04 0.00 -2.50 0.00 0.00 55.73 51.81 1uhc s ARG 70 Cb -0.12 -1.60 -0.03 0.00 0.06 0.00 0.00 34.95 33.26 1uhc s ARG 70 CO 0.02 0.34 -0.02 0.21 -2.50 0.00 0.00 175.30 173.36 1uhc s LYS 71 N -2.56 3.51 -0.62 5.12 2.20 -1.26 -2.35 119.74 123.79 1uhc s LYS 71 Ca 0.16 -0.47 -0.28 0.00 -0.36 0.00 0.00 55.97 55.03 1uhc s LYS 71 Cb -0.08 -2.91 0.02 0.00 -1.51 0.00 0.00 37.83 33.35 1uhc s LYS 71 CO 0.08 0.38 1.33 0.95 -0.36 0.00 0.00 175.35 177.72 1uhc s THR 72 N 0.01 3.82 0.04 3.43 -4.23 -1.20 -4.75 115.64 112.75 1uhc s THR 72 Ca 0.02 0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1uhc s THR 72 Cb -0.13 -4.64 -0.00 0.00 1.34 0.00 0.00 72.50 69.07 1uhc s THR 72 CO 0.02 -1.40 -0.01 -0.62 -0.54 0.00 0.00 174.62 172.07 1uhc n GLU 73 N 8.82 0.02 -2.80 3.99 -0.58 -1.26 -4.95 120.64 123.88 1uhc n GLU 73 Ca 0.09 0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1uhc n GLU 73 Cb 0.49 -0.31 0.01 0.00 -0.57 0.00 0.00 31.44 31.06 1uhc n GLU 73 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1uhc n SER 74 N -3.03 -7.99 -3.81 1.62 2.88 -1.26 -5.06 113.62 96.97 1uhc n SER 74 Ca -0.01 0.90 -0.12 0.00 -1.33 0.00 0.00 58.87 58.31 1uhc n SER 74 Cb 0.02 -5.36 -0.10 0.00 -0.75 0.00 0.00 64.21 58.03 1uhc n SER 74 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uhc s GLY 75 N -2.21 -0.08 0.47 0.46 0.00 -1.26 -5.16 107.32 99.54 1uhc s GLY 75 Ca 0.15 0.20 -0.21 0.00 0.00 0.00 0.00 44.72 44.86 1uhc s GLY 75 CO 0.78 0.03 1.04 2.56 0.00 0.00 0.00 173.10 177.51 1uhc s PRO 76 N -1.14 3.87 0.88 2.90 0.04 -1.26 -5.04 135.00 135.26 1uhc s PRO 76 Ca -0.12 1.40 -0.12 0.00 0.04 0.00 0.00 61.00 62.20 1uhc s PRO 76 Cb -0.06 -2.19 0.12 0.00 0.04 0.00 0.00 34.50 32.42 1uhc s PRO 76 CO 0.03 -0.37 1.10 0.45 0.04 0.00 0.00 177.00 178.24 1uhc s SER 77 N -1.89 3.63 -0.36 6.66 0.15 -1.26 -5.06 113.70 115.58 1uhc s SER 77 Ca 0.65 1.36 0.03 0.00 0.70 0.00 0.00 55.95 58.69 1uhc s SER 77 Cb -0.18 -2.04 0.19 0.00 -1.71 0.00 0.00 66.02 62.28 1uhc s SER 77 CO 0.21 -2.52 0.74 -0.94 1.20 0.00 0.00 173.24 171.93 1uhc s SER 78 N -3.60 -1.24 0.00 5.45 1.04 -1.26 -5.34 113.70 108.75 1uhc s SER 78 Ca 0.63 -0.38 0.10 0.00 0.48 0.00 0.00 55.95 56.78 1uhc s SER 78 Cb -0.17 1.63 0.08 0.00 0.10 0.00 0.00 66.02 67.66 1uhc s SER 78 CO 0.56 -0.17 0.80 0.61 0.98 0.00 0.00 173.24 176.03