#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uff s SER 2 N 0.00 6.62 0.63 1.61 0.15 -1.26 -4.91 113.70 116.54 1uff s SER 2 Ca 0.00 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1uff s SER 2 Cb 0.00 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1uff s SER 2 CO 0.00 -0.26 0.00 -1.20 1.20 0.00 0.00 173.24 172.98 1uff n SER 3 N -0.77 -8.11 0.00 5.45 7.64 -1.26 -5.04 113.62 111.54 1uff n SER 3 Ca 0.02 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.51 1uff n SER 3 Cb 0.53 -5.11 0.00 0.00 -1.01 0.00 0.00 64.21 58.63 1uff n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uff n GLY 4 N -3.88 0.26 3.63 0.23 0.00 -1.26 -5.08 105.19 99.08 1uff n GLY 4 Ca -0.07 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 1uff n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uff s SER 5 N -4.00 2.39 -0.08 1.61 1.04 -1.26 -4.74 113.70 108.66 1uff s SER 5 Ca 0.00 1.57 -0.05 0.00 0.48 0.00 0.00 55.95 57.95 1uff s SER 5 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1uff s SER 5 CO 0.00 -3.33 -0.12 -1.20 0.98 0.00 0.00 173.24 169.57 1uff n SER 6 N -4.34 0.75 -0.08 7.02 7.64 -1.18 -5.03 113.62 118.40 1uff n SER 6 Ca 0.06 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1uff n SER 6 Cb 0.55 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1uff n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uff n GLY 7 N 2.47 -1.02 3.03 0.23 0.00 -1.26 -4.90 105.19 103.74 1uff n GLY 7 Ca -0.17 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 1uff n GLY 7 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uff s TYR 8 N -0.37 0.69 -0.15 1.61 1.51 0.33 -3.92 117.35 117.06 1uff s TYR 8 Ca 0.00 -0.29 -0.06 0.00 -1.01 0.00 0.00 57.07 55.72 1uff s TYR 8 Cb 0.00 -0.42 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 1uff s TYR 8 CO 0.00 -0.03 0.05 0.50 -1.11 0.00 0.00 175.55 174.96 1uff s ARG 9 N -0.83 3.63 -0.10 -0.62 3.52 -0.67 0.14 118.95 124.03 1uff s ARG 9 Ca -0.02 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 54.94 1uff s ARG 9 Cb -0.06 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1uff s ARG 9 CO 0.00 0.46 1.22 0.00 -0.81 0.00 0.00 175.30 176.17 1uff s ALA 10 N -0.16 3.56 -0.05 6.12 0.00 -1.10 0.96 121.76 131.09 1uff s ALA 10 Ca 0.07 0.56 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 1uff s ALA 10 Cb -0.12 -3.55 -0.22 0.00 0.00 0.00 0.00 23.12 19.22 1uff s ALA 10 CO 0.01 -0.91 1.07 -0.07 0.00 0.00 0.00 175.76 175.86 1uff h LEU 11 N 8.75 0.20 -9.06 0.00 3.38 -1.82 -2.09 115.31 114.67 1uff h LEU 11 Ca -0.31 -0.73 -0.54 0.00 0.09 0.00 0.00 57.88 56.39 1uff h LEU 11 Cb 1.14 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 1uff h LEU 11 CO 0.91 0.90 -0.75 -0.31 0.09 0.00 0.00 178.44 179.28 1uff s TYR 12 N -3.31 2.02 -0.15 1.13 2.02 -1.26 -4.56 117.35 113.24 1uff s TYR 12 Ca -0.16 -0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 55.81 1uff s TYR 12 Cb 0.01 -0.90 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 1uff s TYR 12 CO 0.73 0.55 1.27 -1.25 -1.57 0.00 0.00 175.55 175.28 1uff s PRO 13 N -3.55 4.24 0.39 -1.71 0.04 -1.26 -4.02 135.00 129.13 1uff s PRO 13 Ca 0.26 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1uff s PRO 13 Cb -0.03 -3.75 -0.05 0.00 0.04 0.00 0.00 34.50 30.71 1uff s PRO 13 CO 0.11 -0.69 0.16 0.12 0.04 0.00 0.00 177.00 176.74 1uff s PHE 14 N 3.39 2.63 0.04 0.56 5.36 0.25 -4.94 117.98 125.28 1uff s PHE 14 Ca 0.55 -0.51 -0.07 0.00 -0.96 0.00 0.00 56.93 55.95 1uff s PHE 14 Cb -0.22 -1.83 -0.01 0.00 -0.34 0.00 0.00 43.02 40.62 1uff s PHE 14 CO 0.16 0.25 0.13 -2.00 -1.46 0.00 0.00 175.22 172.29 1uff s GLU 15 N -3.88 0.62 0.74 10.12 2.12 -1.26 -2.65 118.70 124.52 1uff s GLU 15 Ca 0.40 -0.72 -0.06 0.00 0.36 0.00 0.00 54.97 54.95 1uff s GLU 15 Cb 0.01 0.25 0.10 0.00 0.26 0.00 0.00 34.13 34.76 1uff s GLU 15 CO 0.22 -0.16 1.03 0.00 -0.54 0.00 0.00 175.26 175.81 1uff s ALA 16 N -2.63 3.25 0.00 6.30 0.00 -1.26 -4.84 121.76 122.58 1uff s ALA 16 Ca -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1uff s ALA 16 Cb -0.01 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1uff s ALA 16 CO -0.05 -1.49 0.00 2.89 0.00 0.00 0.00 175.76 177.12 1uff n ARG 17 N -2.98 0.00 0.06 0.00 -4.01 -1.26 -5.02 116.66 103.45 1uff n ARG 17 Ca 0.11 0.00 -0.03 0.00 -1.04 0.00 0.00 57.85 56.89 1uff n ARG 17 Cb 0.60 0.00 -0.02 0.00 -3.04 0.00 0.00 32.46 30.01 1uff n ARG 17 CO 0.00 0.00 0.00 -0.97 -3.04 0.00 0.00 177.63 173.62 1uff h ASN 18 N 0.00 -0.23 0.00 2.89 -1.24 -1.95 -3.49 115.58 111.56 1uff h ASN 18 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1uff h ASN 18 Cb 0.00 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1uff h ASN 18 CO 0.00 -0.12 0.00 1.57 -1.29 0.00 0.00 177.43 177.59 1uff n HIS 19 N -2.76 -0.42 -2.13 0.67 -0.00 -1.26 -4.97 115.22 104.35 1uff n HIS 19 Ca -0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.32 1uff n HIS 19 Cb 0.08 0.08 0.03 0.00 -0.00 0.00 0.00 29.99 30.18 1uff n HIS 19 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1uff n ASP 20 N -1.36 6.92 -4.92 0.26 5.68 -1.26 -4.99 116.55 116.89 1uff n ASP 20 Ca 0.00 -3.80 -0.31 0.00 -0.50 0.00 0.00 54.79 50.18 1uff n ASP 20 Cb 0.00 -0.96 -0.04 0.00 -1.14 0.00 0.00 41.12 38.98 1uff n ASP 20 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1uff s GLU 21 N -3.99 3.45 -0.12 0.11 2.02 -1.26 -1.54 118.70 117.38 1uff s GLU 21 Ca 0.50 -0.39 -0.06 0.00 0.02 0.00 0.00 54.97 55.04 1uff s GLU 21 Cb 0.40 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1uff s GLU 21 CO -0.34 0.61 0.11 1.41 0.02 0.00 0.00 175.26 177.07 1uff s MET 22 N -2.42 3.39 -0.10 1.61 -2.45 -1.16 -4.65 119.30 113.52 1uff s MET 22 Ca 0.34 -0.19 0.01 0.00 -1.25 0.00 0.00 55.69 54.60 1uff s MET 22 Cb -0.13 -3.12 -0.02 0.00 1.25 0.00 0.00 34.83 32.81 1uff s MET 22 CO 0.26 0.74 -0.14 -1.54 1.05 0.00 0.00 175.02 175.39 1uff s SER 23 N -0.92 3.99 0.24 1.11 1.04 -1.26 -4.37 113.70 113.54 1uff s SER 23 Ca 0.14 -0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.19 1uff s SER 23 Cb -0.12 -1.31 -0.01 0.00 0.10 0.00 0.00 66.02 64.68 1uff s SER 23 CO 0.03 0.23 0.41 0.72 0.98 0.00 0.00 173.24 175.62 1uff s PHE 24 N -0.06 0.56 0.09 5.02 -0.12 -1.08 -4.98 117.98 117.41 1uff s PHE 24 Ca -0.03 -0.89 0.10 0.00 -0.05 0.00 0.00 56.93 56.06 1uff s PHE 24 Cb -0.14 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1uff s PHE 24 CO 0.04 -0.94 -0.24 -0.80 -0.05 0.00 0.00 175.22 173.23 1uff s ASN 25 N -3.06 3.47 0.15 1.98 0.01 -1.26 -0.58 114.94 115.64 1uff s ASN 25 Ca 0.26 -0.63 -0.34 0.00 -0.71 0.00 0.00 52.86 51.44 1uff s ASN 25 Cb 0.01 -0.36 -0.15 0.00 0.41 0.00 0.00 41.25 41.17 1uff s ASN 25 CO 0.10 0.21 1.51 -1.54 -1.51 0.00 0.00 177.10 175.88 1uff n SER 26 N 1.18 2.73 -0.16 -1.22 3.41 -1.26 -3.20 113.62 115.10 1uff n SER 26 Ca -0.17 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1uff n SER 26 Cb 0.53 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1uff n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uff n GLY 27 N 3.16 0.79 2.76 5.00 0.00 -0.79 -4.96 105.19 111.15 1uff n GLY 27 Ca 0.17 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1uff n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uff s ASP 28 N -1.93 0.26 -0.22 1.61 1.01 -1.20 -5.00 116.67 111.20 1uff s ASP 28 Ca 0.00 0.05 -0.29 0.00 0.71 0.00 0.00 52.55 53.02 1uff s ASP 28 Cb 0.00 -0.08 -0.00 0.00 1.01 0.00 0.00 42.92 43.85 1uff s ASP 28 CO 0.00 -0.15 1.17 -0.63 0.21 0.00 0.00 175.17 175.76 1uff s ILE 29 N 1.28 4.44 -0.25 0.77 -1.09 -1.26 -2.71 121.20 122.38 1uff s ILE 29 Ca -0.06 1.72 -0.07 0.00 -2.23 0.00 0.00 60.65 60.01 1uff s ILE 29 Cb -0.13 -4.17 -0.02 0.00 -1.58 0.00 0.00 42.46 36.56 1uff s ILE 29 CO -0.03 -0.22 0.05 -0.63 -1.23 0.00 0.00 174.94 172.88 1uff s ILE 30 N 3.49 4.09 -1.09 2.92 1.01 0.38 -4.91 121.20 127.10 1uff s ILE 30 Ca 0.50 -0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.64 1uff s ILE 30 Cb -0.18 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.39 1uff s ILE 30 CO 0.12 0.33 1.65 -1.10 0.00 0.00 0.00 174.94 175.94 1uff s GLN 31 N 1.58 3.42 0.32 2.79 -1.52 -1.15 0.12 119.66 125.23 1uff s GLN 31 Ca 0.06 -1.22 -0.29 0.00 -1.95 0.00 0.00 55.36 51.97 1uff s GLN 31 Cb -0.15 -5.35 -0.10 0.00 -0.22 0.00 0.00 33.01 27.19 1uff s GLN 31 CO 0.02 -2.58 1.25 0.08 -0.25 0.00 0.00 175.29 173.82 1uff s VAL 32 N 6.17 2.91 -0.53 1.09 1.01 -1.26 -2.14 120.40 127.65 1uff s VAL 32 Ca 0.54 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 63.40 1uff s VAL 32 Cb -0.00 -3.58 0.14 0.00 0.00 0.00 0.00 36.38 32.94 1uff s VAL 32 CO -0.02 0.21 0.35 -0.62 0.00 0.00 0.00 175.10 175.02 1uff s ASP 33 N -0.60 5.30 0.47 3.32 -1.08 0.23 -3.11 116.67 121.20 1uff s ASP 33 Ca 0.48 -2.47 0.16 0.00 -0.52 0.00 0.00 52.55 50.20 1uff s ASP 33 Cb -0.38 -1.86 1.11 0.00 -1.46 0.00 0.00 42.92 40.33 1uff s ASP 33 CO 0.50 -0.46 2.04 -0.33 0.52 0.00 0.00 175.17 177.44 1uff h GLU 34 N 7.53 0.00 0.11 4.34 5.08 -1.85 -2.66 114.58 127.13 1uff h GLU 34 Ca -0.07 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1uff h GLU 34 Cb 1.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1uff h GLU 34 CO 0.72 0.13 -0.26 0.87 -1.00 0.00 0.00 179.01 179.47 1uff h LYS 35 N 0.00 -0.45 -6.45 2.33 1.57 -1.91 -3.41 116.57 108.25 1uff h LYS 35 Ca -0.00 0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 58.22 1uff h LYS 35 Cb 0.24 0.10 0.05 0.00 0.08 0.00 0.00 32.23 32.70 1uff h LYS 35 CO 0.02 -0.30 0.88 2.41 -0.57 0.00 0.00 179.45 181.89 1uff n THR 36 N -5.38 0.15 -2.87 -0.16 -1.04 -1.00 -4.96 114.28 99.02 1uff n THR 36 Ca -0.06 -0.03 -0.28 0.00 -2.04 0.00 0.00 64.05 61.64 1uff n THR 36 Cb 0.29 -1.63 -0.01 0.00 -1.82 0.00 0.00 70.33 67.15 1uff n THR 36 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1uff s VAL 37 N 1.69 4.91 -1.39 12.58 0.11 -1.26 -4.87 120.40 132.17 1uff s VAL 37 Ca 0.82 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 60.10 1uff s VAL 37 Cb -0.67 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 30.37 1uff s VAL 37 CO 0.41 -0.66 0.00 0.61 -3.33 0.00 0.00 175.10 172.13 1uff n GLY 38 N -1.76 -1.38 3.09 6.54 0.00 -1.26 -5.04 105.19 105.38 1uff n GLY 38 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1uff n GLY 38 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uff n GLU 39 N -0.08 -0.24 0.08 1.61 4.71 -1.26 -4.94 120.64 120.52 1uff n GLU 39 Ca 0.00 -0.06 -0.04 0.00 -0.01 0.00 0.00 57.16 57.04 1uff n GLU 39 Cb 0.00 -1.20 -0.02 0.00 -1.01 0.00 0.00 31.44 29.21 1uff n GLU 39 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1uff h PRO 40 N -1.21 -0.27 -1.96 3.49 0.13 -2.03 -3.33 132.00 126.82 1uff h PRO 40 Ca -0.43 0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.46 1uff h PRO 40 Cb 1.34 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 32.44 1uff h PRO 40 CO 0.26 -0.18 -0.07 0.41 -0.23 0.00 0.00 178.00 178.18 1uff n GLY 41 N 0.97 3.36 3.49 1.56 0.00 -1.26 -4.71 105.19 108.60 1uff n GLY 41 Ca -0.04 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 1uff n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uff s TRP 42 N -0.06 -0.96 -0.08 1.61 0.52 -1.25 -3.96 118.94 114.77 1uff s TRP 42 Ca 0.52 1.86 0.05 0.00 0.02 0.00 0.00 56.10 58.56 1uff s TRP 42 Cb 0.28 0.52 -0.01 0.00 -1.15 0.00 0.00 33.47 33.12 1uff s TRP 42 CO -0.06 -0.50 -0.24 -0.51 0.02 0.00 0.00 176.95 175.67 1uff s LEU 43 N 1.93 2.13 -0.06 2.99 1.43 -0.61 -4.49 118.68 121.99 1uff s LEU 43 Ca -0.08 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 1uff s LEU 43 Cb -0.08 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1uff s LEU 43 CO -0.17 0.21 0.57 -0.47 0.23 0.00 0.00 176.35 176.73 1uff s TYR 44 N 0.02 3.60 0.01 0.29 5.04 -1.26 -2.23 117.35 122.81 1uff s TYR 44 Ca -0.09 1.09 -0.05 0.00 -2.44 0.00 0.00 57.07 55.58 1uff s TYR 44 Cb -0.15 -2.62 -0.01 0.00 0.35 0.00 0.00 41.96 39.53 1uff s TYR 44 CO 0.06 0.23 0.08 0.20 -1.34 0.00 0.00 175.55 174.77 1uff s GLY 45 N 0.32 0.11 -0.18 8.97 0.00 -1.19 -0.61 107.32 114.74 1uff s GLY 45 Ca 0.30 -0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.69 1uff s GLY 45 CO 0.15 -0.39 0.00 -1.35 0.00 0.00 0.00 173.10 171.51 1uff s SER 46 N -1.36 4.97 0.34 1.64 1.04 -0.91 -3.60 113.70 115.82 1uff s SER 46 Ca -0.15 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.19 1uff s SER 46 Cb -0.08 -1.84 -0.05 0.00 0.10 0.00 0.00 66.02 64.15 1uff s SER 46 CO 0.01 0.11 0.08 0.12 0.98 0.00 0.00 173.24 174.54 1uff s PHE 47 N 0.70 1.84 -0.38 5.02 5.36 0.44 -2.93 117.98 128.02 1uff s PHE 47 Ca 0.00 -1.08 -0.34 0.00 -0.96 0.00 0.00 56.93 54.55 1uff s PHE 47 Cb -0.14 -1.19 -0.15 0.00 -0.34 0.00 0.00 43.02 41.21 1uff s PHE 47 CO 0.02 -0.13 1.58 1.04 -1.46 0.00 0.00 175.22 176.27 1uff n GLN 48 N -0.71 0.00 -2.82 10.12 6.02 -1.26 0.19 117.38 128.92 1uff n GLN 48 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.82 1uff n GLN 48 Cb 0.66 -1.15 -0.03 0.00 1.02 0.00 0.00 30.24 30.74 1uff n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uff n GLY 49 N 5.36 -0.35 2.69 1.08 0.00 -1.26 -4.83 105.19 107.89 1uff n GLY 49 Ca 0.40 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 1uff n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uff s ASN 50 N -2.05 1.83 -0.17 1.61 0.01 0.50 -5.11 114.94 111.55 1uff s ASN 50 Ca 0.28 -0.27 -0.03 0.00 -0.71 0.00 0.00 52.86 52.12 1uff s ASN 50 Cb -0.16 -0.32 0.06 0.00 0.41 0.00 0.00 41.25 41.24 1uff s ASN 50 CO 0.34 -0.27 0.04 -0.36 -1.51 0.00 0.00 177.10 175.34 1uff s PHE 51 N 2.06 0.85 0.10 2.20 0.40 -1.26 0.16 117.98 122.49 1uff s PHE 51 Ca 0.03 -0.68 -0.06 0.00 -0.60 0.00 0.00 56.93 55.63 1uff s PHE 51 Cb -0.14 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.47 1uff s PHE 51 CO -0.06 -0.55 0.29 0.41 0.70 0.00 0.00 175.22 176.01 1uff n GLY 52 N 5.10 1.40 3.71 4.36 0.00 -1.24 -4.81 105.19 113.71 1uff n GLY 52 Ca -0.08 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 1uff n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uff s TRP 53 N -5.87 3.35 0.24 1.61 0.52 -0.59 -3.17 118.94 115.03 1uff s TRP 53 Ca 0.06 0.23 0.09 0.00 0.02 0.00 0.00 56.10 56.51 1uff s TRP 53 Cb -0.01 -2.03 -0.05 0.00 -1.15 0.00 0.00 33.47 30.22 1uff s TRP 53 CO 0.03 0.34 -0.15 -0.59 0.02 0.00 0.00 176.95 176.59 1uff s PHE 54 N -0.06 1.96 0.01 -1.98 -0.12 -0.95 -3.00 117.98 113.85 1uff s PHE 54 Ca 0.08 -0.50 -0.30 0.00 -0.05 0.00 0.00 56.93 56.16 1uff s PHE 54 Cb -0.12 -0.92 -0.04 0.00 -0.63 0.00 0.00 43.02 41.31 1uff s PHE 54 CO 0.01 0.49 1.19 -1.25 -0.05 0.00 0.00 175.22 175.60 1uff s PRO 55 N -3.60 4.40 0.56 1.99 0.04 -1.26 -1.58 135.00 135.55 1uff s PRO 55 Ca 0.26 1.71 0.31 0.00 0.04 0.00 0.00 61.00 63.33 1uff s PRO 55 Cb -0.02 -3.45 1.67 0.00 0.04 0.00 0.00 34.50 32.74 1uff s PRO 55 CO 0.11 -0.33 2.14 0.00 0.04 0.00 0.00 177.00 178.96 1uff n ASN 57 N -3.53 7.06 0.00 0.00 6.94 -1.26 -3.46 115.26 121.01 1uff n ASN 57 Ca -0.02 -2.78 0.00 0.00 -0.02 0.00 0.00 54.58 51.76 1uff n ASN 57 Cb 0.19 -1.41 0.00 0.00 -2.36 0.00 0.00 39.78 36.20 1uff n ASN 57 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1uff n TYR 58 N 2.33 -0.70 -2.07 -2.53 4.01 -1.13 -5.13 117.16 111.94 1uff n TYR 58 Ca 0.58 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 58.03 1uff n TYR 58 Cb 0.51 0.14 0.02 0.00 -0.31 0.00 0.00 39.34 39.70 1uff n TYR 58 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1uff s VAL 59 N -1.34 4.38 -0.15 -0.72 -7.23 -1.22 -2.60 120.40 111.52 1uff s VAL 59 Ca 0.00 0.57 0.01 0.00 -1.81 0.00 0.00 61.98 60.76 1uff s VAL 59 Cb 0.00 -3.74 0.02 0.00 0.56 0.00 0.00 36.38 33.22 1uff s VAL 59 CO 0.00 -0.91 -0.18 -1.83 -0.31 0.00 0.00 175.10 171.87 1uff s GLU 60 N -5.12 2.62 -0.56 4.82 4.04 0.27 -4.84 118.70 119.94 1uff s GLU 60 Ca 0.54 -0.69 -0.26 0.00 0.04 0.00 0.00 54.97 54.60 1uff s GLU 60 Cb -0.11 -2.26 -0.07 0.00 0.02 0.00 0.00 34.13 31.71 1uff s GLU 60 CO 0.51 -0.16 2.29 0.21 -1.84 0.00 0.00 175.26 176.27 1uff s LYS 61 N 1.21 2.16 0.84 -4.83 2.20 -1.26 -1.67 119.74 118.40 1uff s LYS 61 Ca 0.01 1.10 -0.12 0.00 -0.36 0.00 0.00 55.97 56.60 1uff s LYS 61 Cb -0.14 -4.58 0.10 0.00 -1.51 0.00 0.00 37.83 31.70 1uff s LYS 61 CO -0.08 -3.31 1.17 0.00 -0.36 0.00 0.00 175.35 172.77 1uff s MET 62 N 8.06 1.48 -0.57 4.03 0.23 -1.25 -4.89 119.30 126.38 1uff s MET 62 Ca 0.90 1.60 -0.28 0.00 -1.03 0.00 0.00 55.69 56.88 1uff s MET 62 Cb -0.15 -1.77 0.01 0.00 -1.53 0.00 0.00 34.83 31.38 1uff s MET 62 CO 0.22 -2.30 1.50 -1.25 -2.03 0.00 0.00 175.02 171.17 1uff s PRO 63 N -4.43 3.18 -0.19 3.16 0.04 -1.26 -4.94 135.00 130.56 1uff s PRO 63 Ca 0.69 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.17 1uff s PRO 63 Cb -0.25 -4.18 0.10 0.00 0.04 0.00 0.00 34.50 30.21 1uff s PRO 63 CO 0.54 -2.09 0.29 0.45 0.04 0.00 0.00 177.00 176.23 1uff s SER 64 N 5.10 0.63 -0.20 6.66 0.15 -1.26 -5.14 113.70 119.64 1uff s SER 64 Ca 0.55 0.23 -0.28 0.00 0.70 0.00 0.00 55.95 57.15 1uff s SER 64 Cb -0.12 0.76 0.12 0.00 -1.71 0.00 0.00 66.02 65.08 1uff s SER 64 CO 0.24 -0.29 0.99 -0.44 1.20 0.00 0.00 173.24 174.94 1uff s SER 65 N 2.44 -0.42 0.08 5.45 0.01 -1.26 -5.11 113.70 114.89 1uff s SER 65 Ca 0.06 0.59 0.06 0.00 1.31 0.00 0.00 55.95 57.97 1uff s SER 65 Cb -0.14 0.53 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 1uff s SER 65 CO -0.12 -0.29 -0.15 -1.83 0.41 0.00 0.00 173.24 171.26 1uff s GLU 66 N -0.63 0.86 0.00 12.44 -1.05 -1.26 -4.96 118.70 124.10 1uff s GLU 66 Ca -0.01 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 1uff s GLU 66 Cb -0.02 -0.91 0.00 0.00 -0.44 0.00 0.00 34.13 32.76 1uff s GLU 66 CO -0.01 0.20 0.00 -1.71 0.95 0.00 0.00 175.26 174.70 1uff n ASN 67 N 1.23 0.00 -1.61 0.83 2.85 -1.26 -5.13 115.26 112.18 1uff n ASN 67 Ca -0.21 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.27 1uff n ASN 67 Cb 0.54 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.56 1uff n ASN 67 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1uff n GLU 68 N -0.84 -4.18 -1.95 1.20 2.13 -1.26 -4.86 120.64 110.88 1uff n GLU 68 Ca 0.00 3.26 -0.33 0.00 0.66 0.00 0.00 57.16 60.75 1uff n GLU 68 Cb 0.00 -4.11 0.03 0.00 0.27 0.00 0.00 31.44 27.63 1uff n GLU 68 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1uff s LYS 69 N -5.40 3.08 0.49 5.31 -2.85 -1.26 -5.06 119.74 114.06 1uff s LYS 69 Ca 0.00 1.36 0.06 0.00 -1.00 0.00 0.00 55.97 56.39 1uff s LYS 69 Cb 0.00 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 1uff s LYS 69 CO 0.00 -1.02 0.33 0.00 0.10 0.00 0.00 175.35 174.76 1uff s ALA 70 N -2.28 4.16 0.51 0.59 0.00 -1.26 -5.08 121.76 118.40 1uff s ALA 70 Ca 0.67 -1.51 -0.21 0.00 0.00 0.00 0.00 51.96 50.92 1uff s ALA 70 Cb -0.19 -0.66 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 1uff s ALA 70 CO 0.37 -0.32 0.75 1.55 0.00 0.00 0.00 175.76 178.11 1uff n VAL 71 N -1.58 2.51 -4.24 0.00 3.14 -1.26 -5.00 118.33 111.90 1uff n VAL 71 Ca -0.02 -0.50 -0.20 0.00 -2.96 0.00 0.00 64.34 60.66 1uff n VAL 71 Cb 0.64 -0.87 -0.12 0.00 -1.06 0.00 0.00 33.84 32.43 1uff n VAL 71 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1uff s SER 72 N -1.03 2.09 1.01 6.55 1.04 -1.26 -5.15 113.70 116.94 1uff s SER 72 Ca 0.68 -0.71 -0.15 0.00 0.48 0.00 0.00 55.95 56.24 1uff s SER 72 Cb -0.50 -0.09 0.20 0.00 0.10 0.00 0.00 66.02 65.73 1uff s SER 72 CO 0.54 -0.06 1.19 -2.16 0.98 0.00 0.00 173.24 173.73 1uff s PRO 73 N -2.14 0.34 0.36 4.02 0.04 -1.26 -4.88 135.00 131.48 1uff s PRO 73 Ca 0.05 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1uff s PRO 73 Cb -0.08 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1uff s PRO 73 CO 0.03 -2.68 0.00 1.63 0.04 0.00 0.00 177.00 176.02 1uff n LYS 74 N -4.04 -4.25 -4.53 4.56 5.02 -1.26 -5.06 118.16 108.60 1uff n LYS 74 Ca 0.11 3.09 -0.25 0.00 -2.02 0.00 0.00 58.31 59.24 1uff n LYS 74 Cb 0.59 -3.42 -0.09 0.00 -0.02 0.00 0.00 35.03 32.09 1uff n LYS 74 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1uff s LYS 75 N -2.89 1.89 -0.33 1.97 2.47 -1.26 -5.12 119.74 116.47 1uff s LYS 75 Ca 0.00 -2.14 -0.08 0.00 -1.56 0.00 0.00 55.97 52.19 1uff s LYS 75 Cb 0.00 -0.79 0.20 0.00 -1.46 0.00 0.00 37.83 35.79 1uff s LYS 75 CO 0.00 -0.39 1.09 0.00 0.16 0.00 0.00 175.35 176.21 1uff s ALA 76 N -3.19 -4.52 -0.29 3.13 0.00 -1.26 -5.13 121.76 110.50 1uff s ALA 76 Ca 0.25 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 52.90 1uff s ALA 76 Cb 0.04 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1uff s ALA 76 CO 0.13 -2.52 0.68 -0.51 0.00 0.00 0.00 175.76 173.54 1uff s LEU 77 N 1.40 4.10 -0.11 0.00 1.43 -1.26 -5.05 118.68 119.20 1uff s LEU 77 Ca 0.20 0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 53.84 1uff s LEU 77 Cb 0.09 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 1uff s LEU 77 CO -0.13 -0.49 0.09 -0.76 0.23 0.00 0.00 176.35 175.30 1uff s LEU 78 N 2.68 4.09 -0.33 1.79 2.01 -1.26 -5.06 118.68 122.61 1uff s LEU 78 Ca 0.28 0.34 -0.29 0.00 0.01 0.00 0.00 54.13 54.46 1uff s LEU 78 Cb -0.15 -1.98 0.00 0.00 0.01 0.00 0.00 46.19 44.07 1uff s LEU 78 CO 0.11 0.38 1.37 -2.16 1.01 0.00 0.00 176.35 177.05 1uff s PRO 79 N -0.87 3.80 0.97 1.29 0.04 -1.26 -5.01 135.00 133.97 1uff s PRO 79 Ca 0.14 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.23 1uff s PRO 79 Cb -0.12 -3.94 0.17 0.00 0.04 0.00 0.00 34.50 30.66 1uff s PRO 79 CO 0.03 -1.27 1.17 -1.25 0.04 0.00 0.00 177.00 175.72 1uff s PRO 80 N 4.45 0.64 0.04 0.56 0.04 -1.26 -5.09 135.00 134.38 1uff s PRO 80 Ca 0.59 0.10 0.05 0.00 0.04 0.00 0.00 61.00 61.78 1uff s PRO 80 Cb -0.17 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1uff s PRO 80 CO 0.26 -2.50 -0.14 -0.08 0.04 0.00 0.00 177.00 174.59 1uff s THR 81 N -3.35 1.11 -0.07 1.26 -1.32 -1.26 -5.14 115.64 106.87 1uff s THR 81 Ca 0.67 -0.97 -0.03 0.00 -1.21 0.00 0.00 61.69 60.15 1uff s THR 81 Cb -0.12 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.92 1uff s THR 81 CO 0.54 0.02 0.14 0.54 -2.21 0.00 0.00 174.62 173.65 1uff s VAL 82 N -0.82 -0.14 0.30 5.08 0.11 -1.26 -5.15 120.40 118.51 1uff s VAL 82 Ca 0.02 0.27 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 1uff s VAL 82 Cb -0.08 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1uff s VAL 82 CO 0.01 0.11 0.11 -0.94 -3.33 0.00 0.00 175.10 171.07 1uff s SER 83 N 1.69 1.60 0.15 3.54 1.04 -1.26 -5.17 113.70 115.30 1uff s SER 83 Ca -0.03 -1.46 -0.13 0.00 0.48 0.00 0.00 55.95 54.80 1uff s SER 83 Cb -0.12 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1uff s SER 83 CO -0.06 -0.78 0.37 -1.48 0.98 0.00 0.00 173.24 172.27 1uff s LEU 84 N -3.38 0.63 0.00 2.42 -0.00 -1.26 -5.18 118.68 111.91 1uff s LEU 84 Ca 0.36 -0.60 0.06 0.00 -0.00 0.00 0.00 54.13 53.94 1uff s LEU 84 Cb 0.07 1.60 -0.02 0.00 -0.00 0.00 0.00 46.19 47.84 1uff s LEU 84 CO 0.15 -0.91 0.29 -1.54 -0.00 0.00 0.00 176.35 174.34 1uff n SER 85 N -0.23 -0.76 -3.93 1.48 3.41 -1.26 -5.18 113.62 107.14 1uff n SER 85 Ca -0.11 -2.95 -0.15 0.00 -0.26 0.00 0.00 58.87 55.40 1uff n SER 85 Cb 0.63 1.67 -0.09 0.00 -0.26 0.00 0.00 64.21 66.16 1uff n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uff s ALA 86 N -3.13 1.49 -0.04 7.33 0.00 -1.26 -5.17 121.76 120.98 1uff s ALA 86 Ca 0.35 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 1uff s ALA 86 Cb 0.01 1.37 0.03 0.00 0.00 0.00 0.00 23.12 24.54 1uff s ALA 86 CO 0.25 -0.60 0.08 0.99 0.00 0.00 0.00 175.76 176.48 1uff s THR 87 N -3.87 -0.05 0.45 0.00 2.01 -1.26 -5.16 115.64 107.77 1uff s THR 87 Ca 0.39 0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.62 1uff s THR 87 Cb 0.05 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 1uff s THR 87 CO 0.17 0.07 0.19 -0.55 -0.69 0.00 0.00 174.62 173.81 1uff s SER 88 N 0.96 4.40 -0.27 3.53 0.15 -1.26 -5.13 113.70 116.09 1uff s SER 88 Ca -0.08 -1.21 -0.04 0.00 0.70 0.00 0.00 55.95 55.32 1uff s SER 88 Cb -0.11 -0.14 0.09 0.00 -1.71 0.00 0.00 66.02 64.16 1uff s SER 88 CO -0.04 -0.70 0.12 -0.83 1.20 0.00 0.00 173.24 172.99 1uff s GLY 89 N -3.97 0.49 1.07 9.45 0.00 -1.26 -5.14 107.32 107.96 1uff s GLY 89 Ca 0.34 -0.96 -0.17 0.00 0.00 0.00 0.00 44.72 43.93 1uff s GLY 89 CO 0.19 1.98 1.21 2.56 0.00 0.00 0.00 173.10 179.04 1uff s PRO 90 N 2.09 -0.17 0.19 2.90 0.04 -1.26 -5.10 135.00 133.68 1uff s PRO 90 Ca 0.08 -0.20 -0.24 0.00 0.04 0.00 0.00 61.00 60.68 1uff s PRO 90 Cb -0.16 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1uff s PRO 90 CO -0.31 -2.99 0.94 0.45 0.04 0.00 0.00 177.00 175.13 1uff s SER 91 N -4.38 -0.15 0.33 6.66 0.15 -1.26 -5.19 113.70 109.87 1uff s SER 91 Ca 0.72 -0.51 0.06 0.00 0.70 0.00 0.00 55.95 56.92 1uff s SER 91 Cb -0.07 0.54 -0.07 0.00 -1.71 0.00 0.00 66.02 64.71 1uff s SER 91 CO 0.54 -1.01 0.00 -0.55 1.20 0.00 0.00 173.24 173.43 1uff s SER 92 N -3.01 2.93 0.00 5.45 0.15 -1.26 -5.37 113.70 112.59 1uff s SER 92 Ca 0.14 -1.31 0.23 0.00 0.70 0.00 0.00 55.95 55.71 1uff s SER 92 Cb -0.02 -0.20 0.19 0.00 -1.71 0.00 0.00 66.02 64.27 1uff s SER 92 CO 0.04 -0.47 1.24 0.61 1.20 0.00 0.00 173.24 175.86