#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 0.24 0.13 1.61 7.64 -1.26 -4.85 113.62 117.13 1uhc n SER 2 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1uhc n SER 2 Cb 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1uhc n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uhc n SER 3 N -3.37 -0.17 -0.09 6.43 7.64 -1.26 -5.13 113.62 117.68 1uhc n SER 3 Ca 0.00 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1uhc n SER 3 Cb 0.03 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 1.50 0.49 2.85 0.23 0.00 -1.26 -5.14 105.19 103.86 1uhc n GLY 4 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1uhc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhc s SER 5 N -0.05 0.01 -0.31 1.61 0.01 -1.26 -5.12 113.70 108.59 1uhc s SER 5 Ca 0.00 0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.31 1uhc s SER 5 Cb 0.00 0.01 0.13 0.00 0.21 0.00 0.00 66.02 66.37 1uhc s SER 5 CO 0.00 -0.06 0.27 -0.55 0.41 0.00 0.00 173.24 173.31 1uhc s SER 6 N 0.44 2.07 0.00 2.44 0.15 -1.26 -5.01 113.70 112.53 1uhc s SER 6 Ca -0.04 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.51 1uhc s SER 6 Cb -0.05 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1uhc s SER 6 CO -0.01 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1uhc n GLY 7 N 5.03 -1.92 3.36 9.45 0.00 -1.26 -5.18 105.19 114.67 1uhc n GLY 7 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 46.02 46.81 1uhc n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uhc s SER 8 N 0.00 -0.20 -0.51 1.61 1.04 -1.26 -5.12 113.70 109.27 1uhc s SER 8 Ca 0.00 -0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.08 1uhc s SER 8 Cb 0.00 0.49 0.20 0.00 0.10 0.00 0.00 66.02 66.80 1uhc s SER 8 CO 0.00 -0.89 0.77 1.21 0.98 0.00 0.00 173.24 175.30 1uhc n GLU 9 N -0.24 0.58 -3.64 4.02 0.00 -1.26 -5.13 120.64 114.97 1uhc n GLU 9 Ca -0.14 -1.96 -0.08 0.00 0.00 0.00 0.00 57.16 54.98 1uhc n GLU 9 Cb 0.63 -1.44 -0.07 0.00 0.00 0.00 0.00 31.44 30.56 1uhc n GLU 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1uhc s ALA 10 N 0.84 -1.96 -0.97 4.31 0.00 -1.26 -5.10 121.76 117.62 1uhc s ALA 10 Ca 0.30 2.23 -0.21 0.00 0.00 0.00 0.00 51.96 54.29 1uhc s ALA 10 Cb 0.04 -1.44 0.10 0.00 0.00 0.00 0.00 23.12 21.82 1uhc s ALA 10 CO -0.09 -0.35 1.27 -1.21 0.00 0.00 0.00 175.76 175.39 1uhc s GLU 11 N 1.14 3.60 -0.05 0.00 2.02 -1.26 -4.94 118.70 119.21 1uhc s GLU 11 Ca -0.06 -1.50 -0.06 0.00 0.02 0.00 0.00 54.97 53.38 1uhc s GLU 11 Cb -0.05 -5.11 0.01 0.00 0.10 0.00 0.00 34.13 29.08 1uhc s GLU 11 CO -0.13 -1.96 0.16 0.20 0.02 0.00 0.00 175.26 173.54 1uhc s GLY 12 N 4.21 -0.10 -0.05 -1.39 0.00 -1.26 -5.08 107.32 103.65 1uhc s GLY 12 Ca 0.39 0.37 -0.03 0.00 0.00 0.00 0.00 44.72 45.45 1uhc s GLY 12 CO -0.10 0.30 -0.05 3.43 0.00 0.00 0.00 173.10 176.68 1uhc h ASN 13 N 5.68 0.00 -2.14 1.64 2.35 -2.04 -3.45 115.58 117.63 1uhc h ASN 13 Ca -0.26 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 54.91 1uhc h ASN 13 Cb 1.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 1uhc h ASN 13 CO 0.41 0.25 1.44 -1.10 -1.65 0.00 0.00 177.43 176.78 1uhc s GLN 14 N -1.39 3.19 -0.50 0.81 -0.21 -1.26 -4.91 119.66 115.39 1uhc s GLN 14 Ca -0.04 1.92 0.03 0.00 0.02 0.00 0.00 55.36 57.29 1uhc s GLN 14 Cb 0.01 -4.33 0.14 0.00 1.00 0.00 0.00 33.01 29.82 1uhc s GLN 14 CO 0.06 -2.03 0.29 0.08 -2.12 0.00 0.00 175.29 171.57 1uhc s VAL 15 N 7.95 1.87 0.01 1.09 1.01 -1.26 -4.72 120.40 126.35 1uhc s VAL 15 Ca 0.96 -3.04 -0.01 0.00 0.00 0.00 0.00 61.98 59.90 1uhc s VAL 15 Cb -0.31 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1uhc s VAL 15 CO 0.35 -0.91 0.13 -0.31 0.00 0.00 0.00 175.10 174.36 1uhc s TYR 16 N -0.12 3.40 0.09 5.22 1.51 -1.25 -3.32 117.35 122.88 1uhc s TYR 16 Ca 0.20 0.26 0.06 0.00 -1.01 0.00 0.00 57.07 56.58 1uhc s TYR 16 Cb -0.20 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 1uhc s TYR 16 CO -0.04 0.59 -0.17 -0.59 -1.11 0.00 0.00 175.55 174.23 1uhc s PHE 17 N -1.29 1.46 0.46 2.71 -0.12 -0.82 -0.42 117.98 119.97 1uhc s PHE 17 Ca 0.26 -0.45 -0.24 0.00 -0.05 0.00 0.00 56.93 56.45 1uhc s PHE 17 Cb -0.12 -0.81 -0.07 0.00 -0.63 0.00 0.00 43.02 41.38 1uhc s PHE 17 CO 0.18 0.13 1.37 0.00 -0.05 0.00 0.00 175.22 176.84 1uhc s ALA 18 N -1.29 3.13 -0.22 1.99 0.00 0.12 -1.22 121.76 124.26 1uhc s ALA 18 Ca 0.02 1.36 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 1uhc s ALA 18 Cb -0.10 -3.55 -0.18 0.00 0.00 0.00 0.00 23.12 19.29 1uhc s ALA 18 CO 0.03 -1.13 0.10 0.28 0.00 0.00 0.00 175.76 175.04 1uhc n VAL 19 N -0.35 1.55 -5.01 0.00 0.31 -1.03 0.19 118.33 114.00 1uhc n VAL 19 Ca 0.06 -0.16 -0.32 0.00 -0.01 0.00 0.00 64.34 63.91 1uhc n VAL 19 Cb 0.43 -1.97 -0.15 0.00 -0.91 0.00 0.00 33.84 31.24 1uhc n VAL 19 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1uhc s TYR 20 N -2.41 2.62 -0.56 3.52 2.02 -1.26 -4.02 117.35 117.27 1uhc s TYR 20 Ca -0.31 -0.51 -0.33 0.00 -0.37 0.00 0.00 57.07 55.56 1uhc s TYR 20 Cb 0.08 -1.67 -0.14 0.00 -0.40 0.00 0.00 41.96 39.83 1uhc s TYR 20 CO 0.58 -0.08 2.37 2.41 -1.57 0.00 0.00 175.55 179.27 1uhc n THR 21 N 2.88 0.06 -2.57 -0.71 -1.04 -1.26 -4.49 114.28 107.15 1uhc n THR 21 Ca -0.17 -0.30 -0.26 0.00 -2.04 0.00 0.00 64.05 61.27 1uhc n THR 21 Cb 0.52 -1.54 0.02 0.00 -1.82 0.00 0.00 70.33 67.51 1uhc n THR 21 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1uhc s PHE 22 N 8.78 3.34 -0.03 -1.42 5.36 0.18 -4.88 117.98 129.32 1uhc s PHE 22 Ca 1.14 0.63 0.02 0.00 -0.96 0.00 0.00 56.93 57.76 1uhc s PHE 22 Cb -0.85 -2.54 0.01 0.00 -0.34 0.00 0.00 43.02 39.30 1uhc s PHE 22 CO 0.45 -0.58 -0.07 0.21 -1.46 0.00 0.00 175.22 173.77 1uhc s LYS 23 N -4.84 0.78 -0.47 10.12 2.36 -1.26 -3.71 119.74 122.72 1uhc s LYS 23 Ca 0.51 -0.21 -0.20 0.00 -2.55 0.00 0.00 55.97 53.51 1uhc s LYS 23 Cb -0.10 -0.75 0.04 0.00 -1.05 0.00 0.00 37.83 35.96 1uhc s LYS 23 CO 0.44 0.06 0.65 0.00 1.55 0.00 0.00 175.35 178.04 1uhc s ALA 24 N 0.33 3.35 -0.08 3.13 0.00 -1.26 -4.87 121.76 122.36 1uhc s ALA 24 Ca -0.04 -1.39 0.14 0.00 0.00 0.00 0.00 51.96 50.66 1uhc s ALA 24 Cb -0.09 -3.33 -0.19 0.00 0.00 0.00 0.00 23.12 19.51 1uhc s ALA 24 CO 0.00 -1.89 0.74 0.54 0.00 0.00 0.00 175.76 175.16 1uhc n ARG 25 N 6.28 0.63 -4.24 0.00 3.00 -1.26 -4.93 116.66 116.14 1uhc n ARG 25 Ca -0.03 0.27 -0.23 0.00 -0.01 0.00 0.00 57.85 57.84 1uhc n ARG 25 Cb 0.47 -1.80 -0.07 0.00 0.00 0.00 0.00 32.46 31.05 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 -5.96 4.47 0.06 0.55 0.01 -1.26 -5.01 114.94 107.80 1uhc s ASN 26 Ca -0.04 -0.80 0.23 0.00 -0.71 0.00 0.00 52.86 51.54 1uhc s ASN 26 Cb 0.08 -0.70 0.92 0.00 0.41 0.00 0.00 41.25 41.97 1uhc s ASN 26 CO 0.82 -0.18 1.71 -0.81 -1.51 0.00 0.00 177.10 177.13 1uhc n PRO 27 N -1.00 0.06 0.07 -0.60 -0.04 -1.26 -2.32 135.00 129.91 1uhc n PRO 27 Ca -0.05 0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 1uhc n PRO 27 Cb 0.61 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.69 0.82 -4.82 3.54 4.13 -1.26 -4.88 115.26 111.10 1uhc n ASN 28 Ca 0.05 0.34 -0.37 0.00 1.68 0.00 0.00 54.58 56.28 1uhc n ASN 28 Cb 0.28 0.38 -0.06 0.00 -1.54 0.00 0.00 39.78 38.84 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 -3.17 4.21 -0.18 3.52 2.02 -0.98 -0.88 118.70 123.24 1uhc s GLU 29 Ca -0.02 0.78 -0.07 0.00 0.02 0.00 0.00 54.97 55.68 1uhc s GLU 29 Cb 0.09 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 1uhc s GLU 29 CO 0.80 0.49 0.06 -1.17 0.02 0.00 0.00 175.26 175.46 1uhc s LEU 30 N -1.68 3.80 0.19 1.80 2.96 -1.16 -4.75 118.68 119.83 1uhc s LEU 30 Ca 0.38 0.07 -0.29 0.00 -0.22 0.00 0.00 54.13 54.07 1uhc s LEU 30 Cb -0.18 -1.96 -0.08 0.00 0.50 0.00 0.00 46.19 44.48 1uhc s LEU 30 CO 0.21 0.17 0.91 -0.94 -1.32 0.00 0.00 176.35 175.38 1uhc s SER 31 N 0.37 7.55 -0.05 3.68 1.04 -1.26 -4.61 113.70 120.43 1uhc s SER 31 Ca 0.03 1.84 -0.13 0.00 0.48 0.00 0.00 55.95 58.17 1uhc s SER 31 Cb -0.12 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.44 1uhc s SER 31 CO 0.00 0.12 0.30 0.68 0.98 0.00 0.00 173.24 175.31 1uhc s VAL 32 N -0.88 0.04 0.75 5.02 -7.23 -1.24 -4.97 120.40 111.88 1uhc s VAL 32 Ca 0.41 -0.34 -0.01 0.00 -1.81 0.00 0.00 61.98 60.23 1uhc s VAL 32 Cb -0.25 -0.54 0.14 0.00 0.56 0.00 0.00 36.38 36.30 1uhc s VAL 32 CO 0.30 -0.19 1.03 -0.94 -0.31 0.00 0.00 175.10 174.99 1uhc s SER 33 N -0.84 4.19 0.07 4.85 1.04 -1.26 0.52 113.70 122.26 1uhc s SER 33 Ca -0.09 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 55.60 1uhc s SER 33 Cb -0.04 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1uhc s SER 33 CO 0.03 -1.98 1.02 0.00 0.98 0.00 0.00 173.24 173.28 1uhc s ALA 34 N -3.20 3.25 -0.75 5.32 0.00 -1.26 -2.74 121.76 122.37 1uhc s ALA 34 Ca 0.68 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1uhc s ALA 34 Cb -0.04 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1uhc s ALA 34 CO 0.45 -0.17 0.00 0.09 0.00 0.00 0.00 175.76 176.13 1uhc n ASN 35 N 3.27 -4.51 -4.59 0.00 3.02 0.52 -4.91 115.26 108.06 1uhc n ASN 35 Ca 0.04 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 1uhc n ASN 35 Cb 0.49 -2.63 -0.05 0.00 -0.61 0.00 0.00 39.78 36.98 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 -2.25 3.76 0.36 3.52 2.00 -1.11 -4.73 119.66 121.21 1uhc s GLN 36 Ca 0.00 0.38 -0.28 0.00 -2.00 0.00 0.00 55.36 53.46 1uhc s GLN 36 Cb 0.00 -3.82 -0.11 0.00 0.80 0.00 0.00 33.01 29.88 1uhc s GLN 36 CO 0.00 -0.91 1.52 0.15 -0.50 0.00 0.00 175.29 175.54 1uhc s LYS 37 N 3.27 4.10 -0.08 1.67 1.02 -1.26 -0.71 119.74 127.76 1uhc s LYS 37 Ca 0.34 2.58 -0.09 0.00 0.02 0.00 0.00 55.97 58.82 1uhc s LYS 37 Cb -0.13 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 1uhc s LYS 37 CO 0.18 -0.56 0.25 -0.48 -0.92 0.00 0.00 175.35 173.81 1uhc s LEU 38 N -1.75 1.07 -0.18 3.17 0.05 0.44 -4.88 118.68 116.60 1uhc s LEU 38 Ca 0.55 0.41 -0.27 0.00 0.05 0.00 0.00 54.13 54.87 1uhc s LEU 38 Cb -0.47 0.88 -0.01 0.00 -2.05 0.00 0.00 46.19 44.54 1uhc s LEU 38 CO 0.60 -0.14 0.93 -0.75 -0.55 0.00 0.00 176.35 176.44 1uhc s LYS 39 N -0.12 4.31 -0.34 1.48 2.36 -1.26 -3.83 119.74 122.34 1uhc s LYS 39 Ca -0.02 1.18 -0.18 0.00 -2.55 0.00 0.00 55.97 54.40 1uhc s LYS 39 Cb -0.03 -3.59 -0.01 0.00 -1.05 0.00 0.00 37.83 33.16 1uhc s LYS 39 CO 0.01 -0.42 0.53 0.42 1.55 0.00 0.00 175.35 177.44 1uhc s ILE 40 N 2.44 5.01 -0.14 5.43 -1.09 -1.26 -1.54 121.20 130.04 1uhc s ILE 40 Ca 0.42 0.45 -0.10 0.00 -2.23 0.00 0.00 60.65 59.19 1uhc s ILE 40 Cb -0.16 -3.96 -0.06 0.00 -1.58 0.00 0.00 42.46 36.70 1uhc s ILE 40 CO 0.12 -0.18 -0.03 -0.07 -1.23 0.00 0.00 174.94 173.54 1uhc h LEU 41 N 9.08 0.00 0.00 2.97 4.07 -0.01 -3.49 115.31 127.93 1uhc h LEU 41 Ca -0.28 -0.13 -0.53 0.00 0.08 0.00 0.00 57.88 57.02 1uhc h LEU 41 Cb 1.13 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.77 1uhc h LEU 41 CO 0.77 0.82 -0.37 -0.62 -1.08 0.00 0.00 178.44 177.95 1uhc n GLU 42 N -4.63 0.98 -0.15 1.13 -0.58 -1.15 -4.96 120.64 111.28 1uhc n GLU 42 Ca -0.09 -3.00 0.02 0.00 -0.42 0.00 0.00 57.16 53.66 1uhc n GLU 42 Cb 0.28 0.76 0.02 0.00 -0.57 0.00 0.00 31.44 31.92 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 -1.08 0.00 -3.55 -0.32 3.72 -1.26 -3.25 117.46 111.72 1uhc n PHE 43 Ca -0.16 -0.25 -0.17 0.00 -0.05 0.00 0.00 57.45 56.82 1uhc n PHE 43 Cb 0.52 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.64 1.01 0.00 -1.08 -2.85 -1.08 -4.40 119.74 110.71 1uhc s LYS 44 Ca 0.05 0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.26 1uhc s LYS 44 Cb 0.04 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 1uhc s LYS 44 CO 0.00 -0.31 0.00 -3.47 0.10 0.00 0.00 175.35 171.68 1uhc n ASP 45 N 1.01 -0.71 -0.10 0.03 2.03 -0.11 -4.71 116.55 114.00 1uhc n ASP 45 Ca -0.19 -0.58 -0.14 0.00 0.52 0.00 0.00 54.79 54.40 1uhc n ASP 45 Cb 0.57 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 0.58 -1.92 0.00 0.00 177.20 175.86 1uhc h VAL 46 N -1.31 1.27 -0.07 5.18 2.07 -1.94 -2.72 116.25 118.74 1uhc h VAL 46 Ca 0.00 -1.64 0.02 0.00 0.82 0.00 0.00 66.70 65.90 1uhc h VAL 46 Cb 0.00 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1uhc h VAL 46 CO 0.00 0.54 0.06 0.71 0.02 0.00 0.00 177.57 178.90 1uhc h THR 47 N 0.71 0.65 0.00 2.57 1.35 -2.02 -3.45 112.91 112.73 1uhc h THR 47 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1uhc h THR 47 Cb 1.06 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1uhc h THR 47 CO 0.11 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 1uhc n GLY 48 N -1.41 1.62 3.61 5.82 0.00 -1.02 -5.07 105.19 108.74 1uhc n GLY 48 Ca -0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.50 1uhc n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uhc n ASN 49 N 0.00 2.04 -1.82 1.61 5.15 -1.26 -4.47 115.26 116.51 1uhc n ASN 49 Ca 0.00 1.11 -0.15 0.00 -0.60 0.00 0.00 54.58 54.94 1uhc n ASN 49 Cb 0.00 -1.25 0.05 0.00 -0.53 0.00 0.00 39.78 38.04 1uhc n ASN 49 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1uhc n THR 50 N 2.79 2.60 -0.09 -0.44 -2.24 -1.26 -0.94 114.28 114.71 1uhc n THR 50 Ca 0.18 -1.46 -0.16 0.00 -2.27 0.00 0.00 64.05 60.34 1uhc n THR 50 Cb 0.22 -1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 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 0.25 0.68 -4.17 -0.78 1.02 -1.26 -4.84 120.64 111.54 1uhc n GLU 51 Ca 0.29 0.15 -0.35 0.00 -0.02 0.00 0.00 57.16 57.23 1uhc n GLU 51 Cb 0.67 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.53 3.23 -0.03 -0.32 0.52 -1.25 -1.76 118.94 116.80 1uhc s TRP 52 Ca -0.23 0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.05 1uhc s TRP 52 Cb 0.08 -1.95 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 1uhc s TRP 52 CO 0.71 0.31 -0.14 -1.58 0.02 0.00 0.00 176.95 176.27 1uhc s TRP 53 N -0.23 2.70 -0.13 -1.98 0.52 0.22 -2.56 118.94 117.49 1uhc s TRP 53 Ca 0.07 -0.16 -0.24 0.00 0.02 0.00 0.00 56.10 55.79 1uhc s TRP 53 Cb -0.12 -1.60 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 1uhc s TRP 53 CO 0.02 0.21 0.74 -1.17 0.02 0.00 0.00 176.95 176.77 1uhc s LEU 54 N -0.91 4.23 0.09 2.99 2.96 -1.20 0.18 118.68 127.03 1uhc s LEU 54 Ca 0.12 1.13 0.05 0.00 -0.22 0.00 0.00 54.13 55.21 1uhc s LEU 54 Cb -0.11 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.44 1uhc s LEU 54 CO 0.02 -0.26 -0.13 0.00 -1.32 0.00 0.00 176.35 174.66 1uhc s ALA 55 N 1.53 1.22 -0.41 5.97 0.00 -0.82 0.76 121.76 130.02 1uhc s ALA 55 Ca 0.36 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1uhc s ALA 55 Cb -0.17 -0.06 0.15 0.00 0.00 0.00 0.00 23.12 23.04 1uhc s ALA 55 CO 0.15 0.09 0.26 -2.00 0.00 0.00 0.00 175.76 174.26 1uhc s GLU 56 N -2.24 0.95 -0.14 0.00 2.12 -0.59 -1.97 118.70 116.84 1uhc s GLU 56 Ca 0.02 -1.80 0.02 0.00 0.36 0.00 0.00 54.97 53.57 1uhc s GLU 56 Cb -0.07 -1.77 0.01 0.00 0.26 0.00 0.00 34.13 32.57 1uhc s GLU 56 CO 0.02 -1.23 -0.19 0.54 -0.54 0.00 0.00 175.26 173.86 1uhc s VAL 57 N 0.52 1.84 0.00 3.70 0.11 -1.13 -4.29 120.40 121.14 1uhc s VAL 57 Ca 0.21 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1uhc s VAL 57 Cb -0.17 -1.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1uhc s VAL 57 CO -0.04 0.51 0.00 -3.20 -3.33 0.00 0.00 175.10 169.04 1uhc n ASN 58 N 4.28 -1.49 -1.58 3.54 2.85 -1.26 -3.42 115.26 118.19 1uhc n ASN 58 Ca -0.19 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.11 1uhc n ASN 58 Cb 0.51 -0.42 -0.04 0.00 1.24 0.00 0.00 39.78 41.07 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 -1.72 0.76 2.92 8.20 0.00 -1.26 -4.97 105.19 109.11 1uhc n GLY 59 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.07 1.59 0.42 1.61 1.02 -1.22 -5.13 119.74 113.96 1uhc s LYS 60 Ca 0.00 -0.48 -0.08 0.00 0.02 0.00 0.00 55.97 55.43 1uhc s LYS 60 Cb 0.00 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1uhc s LYS 60 CO 0.00 -0.37 0.74 0.15 -0.92 0.00 0.00 175.35 174.95 1uhc s LYS 61 N 1.62 3.67 0.00 1.68 1.02 -1.26 -2.84 119.74 123.63 1uhc s LYS 61 Ca 0.02 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.31 1uhc s LYS 61 Cb -0.14 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1uhc s LYS 61 CO -0.08 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 1uhc n GLY 62 N -1.60 2.09 3.73 -3.33 0.00 -0.83 -4.65 105.19 100.60 1uhc n GLY 62 Ca 0.01 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 3.61 0.30 1.61 2.02 -0.06 -1.94 117.35 120.90 1uhc s TYR 63 Ca 0.00 1.60 0.11 0.00 -0.37 0.00 0.00 57.07 58.41 1uhc s TYR 63 Cb 0.00 -3.26 -0.05 0.00 -0.40 0.00 0.00 41.96 38.25 1uhc s TYR 63 CO 0.00 -0.55 -0.17 0.08 -1.57 0.00 0.00 175.55 173.34 1uhc s VAL 64 N -0.08 2.43 0.26 0.71 1.01 0.48 -3.00 120.40 122.22 1uhc s VAL 64 Ca 0.50 -2.34 -0.30 0.00 0.00 0.00 0.00 61.98 59.84 1uhc s VAL 64 Cb -0.28 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 1uhc s VAL 64 CO 0.34 -0.34 1.08 -2.16 0.00 0.00 0.00 175.10 174.02 1uhc s PRO 65 N -3.54 4.65 0.00 2.72 0.04 -1.26 0.73 135.00 138.34 1uhc s PRO 65 Ca 0.31 1.76 0.17 0.00 0.04 0.00 0.00 61.00 63.27 1uhc s PRO 65 Cb -0.03 -3.21 0.92 0.00 0.04 0.00 0.00 34.50 32.22 1uhc s PRO 65 CO 0.16 0.22 1.60 -1.13 0.04 0.00 0.00 177.00 177.88 1uhc n SER 66 N 1.42 0.25 -0.04 6.66 3.41 -0.72 -2.78 113.62 121.82 1uhc n SER 66 Ca -0.01 -1.54 0.01 0.00 -0.26 0.00 0.00 58.87 57.08 1uhc n SER 66 Cb 0.45 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.59 0.09 -2.66 4.04 2.85 -1.26 -4.37 115.26 113.37 1uhc n ASN 67 Ca 0.13 0.04 -0.36 0.00 -0.11 0.00 0.00 54.58 54.28 1uhc n ASN 67 Cb 0.10 1.40 0.04 0.00 1.24 0.00 0.00 39.78 42.56 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 -2.52 3.09 -4.36 1.20 4.01 -1.12 -4.89 117.16 112.57 1uhc n TYR 68 Ca -0.17 -2.60 -0.25 0.00 -0.16 0.00 0.00 57.90 54.72 1uhc n TYR 68 Cb 0.84 -1.01 -0.12 0.00 -0.31 0.00 0.00 39.34 38.74 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 -5.07 2.02 0.04 -0.72 -1.09 -1.26 -2.48 121.20 112.65 1uhc s ILE 69 Ca 0.54 -1.84 -0.11 0.00 -2.23 0.00 0.00 60.65 57.01 1uhc s ILE 69 Cb 0.45 -1.88 0.01 0.00 -1.58 0.00 0.00 42.46 39.45 1uhc s ILE 69 CO -0.26 -0.14 0.23 -0.13 -1.23 0.00 0.00 174.94 173.41 1uhc s ARG 70 N -2.44 0.72 -0.18 2.79 1.81 -0.36 -4.66 118.95 116.63 1uhc s ARG 70 Ca 0.15 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.58 1uhc s ARG 70 Cb -0.08 0.30 0.01 0.00 -0.45 0.00 0.00 34.95 34.74 1uhc s ARG 70 CO 0.07 -0.22 -0.17 0.21 -0.68 0.00 0.00 175.30 174.51 1uhc s LYS 71 N -2.52 3.07 -0.52 3.54 2.20 -1.26 -1.94 119.74 122.29 1uhc s LYS 71 Ca -0.05 -0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 54.49 1uhc s LYS 71 Cb -0.01 -2.63 -0.09 0.00 -1.51 0.00 0.00 37.83 33.58 1uhc s LYS 71 CO -0.03 -0.18 2.42 0.25 -0.36 0.00 0.00 175.35 177.45 1uhc n THR 72 N 4.57 -0.01 -1.51 3.43 -2.24 -1.21 -4.87 114.28 112.44 1uhc n THR 72 Ca -0.20 -0.61 -0.39 0.00 -2.27 0.00 0.00 64.05 60.57 1uhc n THR 72 Cb 0.50 -2.37 0.03 0.00 -2.10 0.00 0.00 70.33 66.39 1uhc n THR 72 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1uhc n GLU 73 N 8.85 0.72 -3.36 -0.78 2.13 -1.26 -4.93 120.64 122.01 1uhc n GLU 73 Ca 0.41 0.27 -0.39 0.00 0.66 0.00 0.00 57.16 58.11 1uhc n GLU 73 Cb 0.44 -1.81 -0.08 0.00 0.27 0.00 0.00 31.44 30.26 1uhc n GLU 73 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1uhc s SER 74 N -1.08 6.38 0.41 4.31 0.01 -1.26 -5.07 113.70 117.40 1uhc s SER 74 Ca 0.68 0.44 0.00 0.00 1.31 0.00 0.00 55.95 58.39 1uhc s SER 74 Cb -0.48 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1uhc s SER 74 CO 0.54 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.65 1uhc n GLY 75 N 4.25 0.32 3.62 3.44 0.00 -1.26 -5.00 105.19 110.56 1uhc n GLY 75 Ca -0.08 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 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 3.75 0.46 1.61 0.04 -1.26 -4.79 135.00 133.18 1uhc s PRO 76 Ca 0.00 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1uhc s PRO 76 Cb 0.00 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1uhc s PRO 76 CO 0.00 -1.34 0.00 0.43 0.04 0.00 0.00 177.00 176.13 1uhc n SER 77 N 8.22 -7.58 -2.28 6.66 7.64 -1.26 -5.01 113.62 120.01 1uhc n SER 77 Ca 0.16 1.00 -0.02 0.00 1.01 0.00 0.00 58.87 61.02 1uhc n SER 77 Cb 0.47 -4.22 -0.02 0.00 -1.01 0.00 0.00 64.21 59.44 1uhc n SER 77 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uhc n SER 78 N -4.11 -5.23 0.00 6.43 7.64 -1.26 -5.14 113.62 111.95 1uhc n SER 78 Ca -0.05 1.43 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1uhc n SER 78 Cb 0.60 -4.67 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 1uhc n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64