#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 6.97 -0.07 1.61 1.04 -1.26 -5.01 113.70 116.97 1uff s SER 2 Ca 0.00 2.32 -0.09 0.00 0.48 0.00 0.00 55.95 58.66 1uff s SER 2 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 1uff s SER 2 CO 0.00 -0.47 0.22 -0.55 0.98 0.00 0.00 173.24 173.42 1uff s SER 3 N 0.31 6.51 0.38 7.02 0.15 -1.26 -5.07 113.70 121.74 1uff s SER 3 Ca 0.56 0.60 -0.26 0.00 0.70 0.00 0.00 55.95 57.54 1uff s SER 3 Cb -0.35 -2.12 -0.09 0.00 -1.71 0.00 0.00 66.02 61.76 1uff s SER 3 CO 0.37 0.37 1.23 -0.83 1.20 0.00 0.00 173.24 175.58 1uff s GLY 4 N -1.13 2.93 0.05 9.45 0.00 -1.26 -5.01 107.32 112.34 1uff s GLY 4 Ca 0.19 1.10 -0.28 0.00 0.00 0.00 0.00 44.72 45.73 1uff s GLY 4 CO 0.08 1.67 1.18 -1.35 0.00 0.00 0.00 173.10 174.68 1uff s SER 5 N -0.87 -0.07 0.12 1.64 1.04 -1.26 -4.86 113.70 109.43 1uff s SER 5 Ca 0.55 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.73 1uff s SER 5 Cb -0.35 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1uff s SER 5 CO 0.45 -0.52 -0.06 -0.44 0.98 0.00 0.00 173.24 173.64 1uff s SER 6 N -3.12 1.31 0.00 7.02 0.01 -0.52 -4.99 113.70 113.42 1uff s SER 6 Ca 0.16 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.45 1uff s SER 6 Cb 0.02 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 1uff s SER 6 CO -0.01 -0.45 -0.19 -0.83 0.41 0.00 0.00 173.24 172.17 1uff s GLY 7 N -3.10 0.97 0.02 3.44 0.00 -1.26 0.11 107.32 107.50 1uff s GLY 7 Ca 0.15 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1uff s GLY 7 CO -0.02 -0.77 -0.09 -0.19 0.00 0.00 0.00 173.10 172.04 1uff s TYR 8 N -0.56 0.79 -0.25 1.90 1.51 0.49 -4.26 117.35 116.97 1uff s TYR 8 Ca 0.07 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 55.70 1uff s TYR 8 Cb -0.08 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.25 1uff s TYR 8 CO 0.00 -0.02 0.26 0.50 -1.11 0.00 0.00 175.55 175.18 1uff s ARG 9 N -0.88 4.04 -0.09 -0.62 3.52 -1.17 0.18 118.95 123.93 1uff s ARG 9 Ca -0.02 -0.13 -0.29 0.00 -0.13 0.00 0.00 55.73 55.16 1uff s ARG 9 Cb -0.06 -3.60 -0.06 0.00 -1.56 0.00 0.00 34.95 29.67 1uff s ARG 9 CO 0.00 -0.10 1.88 0.00 -0.81 0.00 0.00 175.30 176.28 1uff s ALA 10 N 1.53 3.33 0.03 6.12 0.00 -1.05 -0.88 121.76 130.84 1uff s ALA 10 Ca 0.11 0.94 -0.26 0.00 0.00 0.00 0.00 51.96 52.75 1uff s ALA 10 Cb -0.15 -3.88 -0.14 0.00 0.00 0.00 0.00 23.12 18.95 1uff s ALA 10 CO 0.08 -1.89 1.27 -0.07 0.00 0.00 0.00 175.76 175.15 1uff h LEU 11 N 11.76 -0.78 -9.44 0.00 3.38 -1.84 -2.95 115.31 115.44 1uff h LEU 11 Ca -0.42 0.03 -0.58 0.00 0.09 0.00 0.00 57.88 57.00 1uff h LEU 11 Cb 1.21 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 42.05 1uff h LEU 11 CO 0.96 -0.52 -0.68 -0.31 0.09 0.00 0.00 178.44 177.98 1uff s TYR 12 N -4.83 2.58 -0.14 1.13 2.02 -1.26 -4.59 117.35 112.25 1uff s TYR 12 Ca -0.13 -0.25 -0.29 0.00 -0.37 0.00 0.00 57.07 56.02 1uff s TYR 12 Cb 0.01 -1.15 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1uff s TYR 12 CO 0.40 0.64 1.26 -1.25 -1.57 0.00 0.00 175.55 175.04 1uff s PRO 13 N -3.55 4.25 0.19 -1.71 0.04 -1.26 -4.09 135.00 128.87 1uff s PRO 13 Ca 0.30 1.68 0.09 0.00 0.04 0.00 0.00 61.00 63.11 1uff s PRO 13 Cb -0.06 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1uff s PRO 13 CO 0.18 -0.67 -0.18 0.12 0.04 0.00 0.00 177.00 176.49 1uff s PHE 14 N 3.30 1.92 0.01 0.56 2.19 -0.31 -4.90 117.98 120.74 1uff s PHE 14 Ca 0.55 -0.46 0.03 0.00 0.33 0.00 0.00 56.93 57.38 1uff s PHE 14 Cb -0.22 -0.92 -0.01 0.00 -1.31 0.00 0.00 43.02 40.56 1uff s PHE 14 CO 0.16 0.42 -0.09 -2.00 1.83 0.00 0.00 175.22 175.53 1uff s GLU 15 N -3.09 0.69 -0.82 10.12 2.12 -1.26 -1.52 118.70 124.93 1uff s GLU 15 Ca 0.20 -0.47 -0.25 0.00 0.36 0.00 0.00 54.97 54.81 1uff s GLU 15 Cb -0.05 -0.63 -0.00 0.00 0.26 0.00 0.00 34.13 33.71 1uff s GLU 15 CO 0.08 0.16 1.66 0.00 -0.54 0.00 0.00 175.26 176.62 1uff s ALA 16 N -0.55 2.28 0.16 6.30 0.00 -0.93 -4.84 121.76 124.18 1uff s ALA 16 Ca 0.00 -1.44 -0.24 0.00 0.00 0.00 0.00 51.96 50.28 1uff s ALA 16 Cb -0.05 -4.42 0.05 0.00 0.00 0.00 0.00 23.12 18.69 1uff s ALA 16 CO 0.00 -3.96 1.59 0.00 0.00 0.00 0.00 175.76 173.39 1uff h ARG 17 N 11.59 -0.26 0.00 0.00 3.08 -1.93 -3.44 114.38 123.42 1uff h ARG 17 Ca -0.05 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1uff h ARG 17 Cb 1.06 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1uff h ARG 17 CO 1.28 -0.17 0.00 0.09 -1.07 0.00 0.00 179.97 180.10 1uff n ASN 18 N -5.42 0.00 0.00 7.04 5.03 -1.26 -5.10 115.26 115.55 1uff n ASN 18 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1uff n ASN 18 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 1uff n ASN 18 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1uff n HIS 19 N 0.00 0.00 -2.45 3.10 -0.00 -1.26 -4.92 115.22 109.68 1uff n HIS 19 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 1uff n HIS 19 Cb 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1uff n HIS 19 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1uff n ASP 20 N 0.00 -1.11 -4.92 0.26 2.03 -1.26 -4.82 116.55 106.72 1uff n ASP 20 Ca 0.00 0.47 -0.26 0.00 0.52 0.00 0.00 54.79 55.52 1uff n ASP 20 Cb 0.00 -1.10 0.05 0.00 -0.72 0.00 0.00 41.12 39.36 1uff n ASP 20 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1uff s GLU 21 N -4.92 2.52 0.26 -0.67 2.12 -1.26 -2.52 118.70 114.23 1uff s GLU 21 Ca 0.00 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.24 1uff s GLU 21 Cb 0.00 -2.22 -0.03 0.00 0.26 0.00 0.00 34.13 32.15 1uff s GLU 21 CO 0.00 -1.00 0.30 1.41 -0.54 0.00 0.00 175.26 175.43 1uff s MET 22 N -5.13 3.14 -0.09 4.30 1.75 -1.26 -4.47 119.30 117.54 1uff s MET 22 Ca 0.57 -0.95 0.00 0.00 -1.25 0.00 0.00 55.69 54.07 1uff s MET 22 Cb -0.11 -2.72 0.02 0.00 2.84 0.00 0.00 34.83 34.87 1uff s MET 22 CO 0.45 0.34 -0.08 -1.54 -0.65 0.00 0.00 175.02 173.55 1uff s SER 23 N -3.95 1.86 0.24 1.11 1.04 -1.26 -2.19 113.70 110.55 1uff s SER 23 Ca 0.36 -0.26 -0.15 0.00 0.48 0.00 0.00 55.95 56.38 1uff s SER 23 Cb -0.08 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.29 1uff s SER 23 CO 0.27 -0.08 0.52 0.72 0.98 0.00 0.00 173.24 175.65 1uff s PHE 24 N 1.35 0.18 0.05 5.02 -0.71 -0.57 -4.84 117.98 118.47 1uff s PHE 24 Ca -0.02 -0.56 0.07 0.00 -1.04 0.00 0.00 56.93 55.38 1uff s PHE 24 Cb -0.14 0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 1uff s PHE 24 CO -0.04 -1.00 -0.21 -0.80 -1.34 0.00 0.00 175.22 171.83 1uff s ASN 25 N -2.97 2.50 0.32 1.98 0.01 -1.26 -1.17 114.94 114.34 1uff s ASN 25 Ca 0.18 -0.55 -0.27 0.00 -0.71 0.00 0.00 52.86 51.51 1uff s ASN 25 Cb -0.01 -0.19 -0.14 0.00 0.41 0.00 0.00 41.25 41.31 1uff s ASN 25 CO 0.06 0.14 0.85 -1.54 -1.51 0.00 0.00 177.10 175.10 1uff n SER 26 N 1.70 0.52 -0.41 -1.22 3.41 -1.26 -3.15 113.62 113.21 1uff n SER 26 Ca -0.18 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 1uff n SER 26 Cb 0.53 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 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 1.43 0.94 2.78 5.00 0.00 -1.11 -4.94 105.19 109.29 1uff n GLY 27 Ca 0.11 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.76 0.09 -0.08 1.61 1.01 -1.19 -5.02 116.67 110.33 1uff s ASP 28 Ca 0.00 0.06 -0.30 0.00 0.71 0.00 0.00 52.55 53.02 1uff s ASP 28 Cb 0.00 -0.05 -0.03 0.00 1.01 0.00 0.00 42.92 43.85 1uff s ASP 28 CO 0.00 -0.14 1.25 -0.63 0.21 0.00 0.00 175.17 175.86 1uff s ILE 29 N 1.12 4.20 -0.21 0.77 -1.09 -1.26 -2.53 121.20 122.20 1uff s ILE 29 Ca -0.09 1.51 -0.04 0.00 -2.23 0.00 0.00 60.65 59.80 1uff s ILE 29 Cb -0.13 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1uff s ILE 29 CO -0.03 -0.04 -0.04 -0.63 -1.23 0.00 0.00 174.94 172.97 1uff s ILE 30 N 2.66 3.51 -0.94 2.92 1.01 0.48 -4.88 121.20 125.95 1uff s ILE 30 Ca 0.57 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.52 1uff s ILE 30 Cb -0.25 -2.59 0.04 0.00 0.01 0.00 0.00 42.46 39.68 1uff s ILE 30 CO 0.20 0.43 1.42 -1.10 0.00 0.00 0.00 174.94 175.89 1uff s GLN 31 N 1.30 3.46 0.41 2.79 -1.52 -1.17 0.18 119.66 125.11 1uff s GLN 31 Ca 0.04 -0.87 -0.23 0.00 -1.95 0.00 0.00 55.36 52.36 1uff s GLN 31 Cb -0.14 -5.05 -0.10 0.00 -0.22 0.00 0.00 33.01 27.50 1uff s GLN 31 CO -0.01 -2.23 0.98 0.08 -0.25 0.00 0.00 175.29 173.86 1uff s VAL 32 N 5.32 4.14 -0.36 1.09 1.01 0.29 -0.23 120.40 131.66 1uff s VAL 32 Ca 0.44 1.48 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 1uff s VAL 32 Cb -0.02 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.75 1uff s VAL 32 CO -0.03 -0.14 0.12 -1.81 0.00 0.00 0.00 175.10 173.23 1uff s ASP 33 N -1.91 5.15 0.36 3.32 1.01 0.81 -1.44 116.67 123.97 1uff s ASP 33 Ca 0.59 -1.62 0.24 0.00 0.71 0.00 0.00 52.55 52.47 1uff s ASP 33 Cb -0.15 -1.80 0.40 0.00 1.01 0.00 0.00 42.92 42.39 1uff s ASP 33 CO 0.19 -0.41 1.59 -0.33 0.21 0.00 0.00 175.17 176.41 1uff h GLU 34 N 8.07 0.00 -0.70 8.23 5.08 -1.91 -3.06 114.58 130.28 1uff h GLU 34 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1uff h GLU 34 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1uff h GLU 34 CO 0.63 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.27 1uff n LYS 35 N -2.87 2.92 -4.85 2.33 4.01 -1.26 -4.82 118.16 113.62 1uff n LYS 35 Ca 0.04 -1.68 -0.33 0.00 -0.51 0.00 0.00 58.31 55.83 1uff n LYS 35 Cb 0.51 -1.81 -0.14 0.00 -0.51 0.00 0.00 35.03 33.07 1uff n LYS 35 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1uff s THR 36 N -1.87 2.94 0.27 -0.18 2.01 -1.16 -5.12 115.64 112.53 1uff s THR 36 Ca 0.29 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.66 1uff s THR 36 Cb 0.21 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1uff s THR 36 CO 0.10 0.54 0.14 0.54 -0.69 0.00 0.00 174.62 175.26 1uff s VAL 37 N 0.15 4.01 0.00 3.82 0.11 -1.26 -4.94 120.40 122.29 1uff s VAL 37 Ca -0.08 -1.57 0.00 0.00 -2.93 0.00 0.00 61.98 57.41 1uff s VAL 37 Cb -0.15 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 1uff s VAL 37 CO 0.05 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1uff n GLY 38 N -1.11 -1.39 3.89 6.54 0.00 -1.26 -5.13 105.19 106.73 1uff n GLY 38 Ca -0.07 0.59 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 1uff n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uff s GLU 39 N 0.00 2.85 0.00 1.61 0.41 -1.26 -5.06 118.70 117.25 1uff s GLU 39 Ca 0.00 0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.98 1uff s GLU 39 Cb 0.00 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.31 1uff s GLU 39 CO 0.00 -1.02 0.06 -0.35 -0.49 0.00 0.00 175.26 173.46 1uff n PRO 40 N -2.98 0.00 -1.56 0.39 -0.04 -1.26 -4.35 135.00 125.21 1uff n PRO 40 Ca 0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.17 1uff n PRO 40 Cb 0.57 -0.36 -0.04 0.00 -0.04 0.00 0.00 33.50 33.64 1uff n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uff n GLY 41 N 2.01 4.50 2.98 0.55 0.00 -1.26 -4.84 105.19 109.13 1uff n GLY 41 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 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 0.41 0.24 -0.10 1.61 0.52 -1.26 -4.17 118.94 116.18 1uff s TRP 42 Ca 0.63 -0.48 0.03 0.00 0.02 0.00 0.00 56.10 56.29 1uff s TRP 42 Cb 0.22 -0.17 0.01 0.00 -1.15 0.00 0.00 33.47 32.37 1uff s TRP 42 CO -0.08 -0.18 -0.18 -0.51 0.02 0.00 0.00 176.95 176.02 1uff s LEU 43 N -1.36 1.88 -0.11 2.99 1.43 -0.67 -4.84 118.68 118.01 1uff s LEU 43 Ca -0.15 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 1uff s LEU 43 Cb -0.09 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1uff s LEU 43 CO -0.01 0.07 0.17 -0.47 0.23 0.00 0.00 176.35 176.35 1uff s TYR 44 N 0.69 3.61 0.20 0.29 5.04 -1.26 -1.89 117.35 124.03 1uff s TYR 44 Ca -0.12 0.58 -0.14 0.00 -2.44 0.00 0.00 57.07 54.95 1uff s TYR 44 Cb -0.16 -1.98 0.01 0.00 0.35 0.00 0.00 41.96 40.18 1uff s TYR 44 CO 0.03 0.72 0.45 0.20 -1.34 0.00 0.00 175.55 175.61 1uff s GLY 45 N -1.02 0.23 -0.21 8.97 0.00 -1.22 -0.13 107.32 113.94 1uff s GLY 45 Ca 0.16 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.31 1uff s GLY 45 CO 0.05 -0.51 -0.14 -0.56 0.00 0.00 0.00 173.10 171.93 1uff s SER 46 N -2.94 3.63 0.37 1.64 0.01 0.68 -3.63 113.70 113.47 1uff s SER 46 Ca 0.15 -0.96 0.08 0.00 1.31 0.00 0.00 55.95 56.53 1uff s SER 46 Cb 0.00 -1.43 -0.07 0.00 0.21 0.00 0.00 66.02 64.73 1uff s SER 46 CO 0.01 -0.10 -0.02 0.12 0.41 0.00 0.00 173.24 173.66 1uff s PHE 47 N 1.26 2.48 -0.38 2.43 5.36 0.38 -3.04 117.98 126.46 1uff s PHE 47 Ca -0.01 -0.56 -0.34 0.00 -0.96 0.00 0.00 56.93 55.05 1uff s PHE 47 Cb -0.16 -1.59 -0.15 0.00 -0.34 0.00 0.00 43.02 40.78 1uff s PHE 47 CO -0.09 0.49 1.56 1.04 -1.46 0.00 0.00 175.22 176.76 1uff n GLN 48 N -0.92 0.00 -2.79 10.12 3.00 -1.26 0.19 117.38 125.72 1uff n GLN 48 Ca -0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.81 1uff n GLN 48 Cb 0.65 -1.15 -0.03 0.00 0.00 0.00 0.00 30.24 29.71 1uff n GLN 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1uff n GLY 49 N 5.23 -0.35 2.66 1.08 0.00 -1.26 -4.82 105.19 107.73 1uff n GLY 49 Ca 0.39 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 -2.04 1.96 -0.13 1.61 0.01 0.51 -5.04 114.94 111.83 1uff s ASN 50 Ca 0.27 -0.44 -0.02 0.00 -0.71 0.00 0.00 52.86 51.96 1uff s ASN 50 Cb -0.16 -0.03 0.04 0.00 0.41 0.00 0.00 41.25 41.51 1uff s ASN 50 CO 0.33 -0.34 0.02 -0.36 -1.51 0.00 0.00 177.10 175.24 1uff s PHE 51 N 2.20 0.82 0.02 2.20 0.08 -1.26 0.14 117.98 122.18 1uff s PHE 51 Ca 0.04 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.60 1uff s PHE 51 Cb -0.16 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 1uff s PHE 51 CO -0.10 -0.46 0.05 0.41 -0.10 0.00 0.00 175.22 175.03 1uff n GLY 52 N 5.11 1.64 3.54 4.36 0.00 -1.24 -4.74 105.19 113.85 1uff n GLY 52 Ca -0.08 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 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 -7.36 3.10 0.28 1.61 0.52 -1.05 -3.43 118.94 112.61 1uff s TRP 53 Ca 0.01 -0.20 0.12 0.00 0.02 0.00 0.00 56.10 56.05 1uff s TRP 53 Cb -0.00 -2.02 -0.05 0.00 -1.15 0.00 0.00 33.47 30.25 1uff s TRP 53 CO 0.01 -0.01 -0.17 -0.59 0.02 0.00 0.00 176.95 176.20 1uff s PHE 54 N 0.48 2.34 0.05 -1.98 -0.71 -0.79 -4.03 117.98 113.33 1uff s PHE 54 Ca -0.01 -0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 55.25 1uff s PHE 54 Cb -0.14 -1.03 -0.05 0.00 -1.21 0.00 0.00 43.02 40.59 1uff s PHE 54 CO 0.02 0.70 1.17 -1.25 -1.34 0.00 0.00 175.22 174.52 1uff s PRO 55 N -3.53 4.45 -0.92 1.99 0.04 -1.26 -1.67 135.00 134.09 1uff s PRO 55 Ca 0.30 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.81 1uff s PRO 55 Cb -0.05 -3.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.04 1uff s PRO 55 CO 0.16 -0.24 2.06 0.00 0.04 0.00 0.00 177.00 179.02 1uff n ASN 57 N 15.42 0.00 -1.91 0.00 5.15 -1.26 -4.96 115.26 127.70 1uff n ASN 57 Ca 0.42 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 54.25 1uff n ASN 57 Cb 0.46 0.02 0.01 0.00 -0.53 0.00 0.00 39.78 39.74 1uff n ASN 57 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1uff n TYR 58 N -0.95 1.26 -3.66 1.20 4.02 -1.14 -4.76 117.16 113.12 1uff n TYR 58 Ca 0.00 -1.81 -0.09 0.00 -0.01 0.00 0.00 57.90 55.99 1uff n TYR 58 Cb 0.00 -0.96 -0.08 0.00 -0.02 0.00 0.00 39.34 38.27 1uff n TYR 58 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1uff s VAL 59 N -1.82 -0.01 -0.29 -0.72 -7.23 -1.26 -2.71 120.40 106.35 1uff s VAL 59 Ca 0.31 0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 60.49 1uff s VAL 59 Cb 0.23 -0.85 0.04 0.00 0.56 0.00 0.00 36.38 36.36 1uff s VAL 59 CO -0.03 0.01 -0.01 -1.83 -0.31 0.00 0.00 175.10 172.93 1uff s GLU 60 N 1.33 2.51 -0.73 4.82 -1.05 -0.06 -4.85 118.70 120.67 1uff s GLU 60 Ca -0.08 -1.21 -0.29 0.00 -0.15 0.00 0.00 54.97 53.25 1uff s GLU 60 Cb -0.06 -3.15 -0.14 0.00 -0.44 0.00 0.00 34.13 30.34 1uff s GLU 60 CO -0.14 -0.58 2.55 1.17 0.95 0.00 0.00 175.26 179.21 1uff n LYS 61 N 4.63 0.54 -1.03 -4.83 4.81 -1.26 -3.02 118.16 118.01 1uff n LYS 61 Ca -0.14 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.99 1uff n LYS 61 Cb 0.44 -2.49 0.13 0.00 0.02 0.00 0.00 35.03 33.12 1uff n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uff s MET 62 N 8.57 1.65 0.00 1.64 0.23 -1.26 -4.98 119.30 125.15 1uff s MET 62 Ca 1.17 1.46 0.00 0.00 -1.03 0.00 0.00 55.69 57.28 1uff s MET 62 Cb -0.71 -1.81 0.00 0.00 -1.53 0.00 0.00 34.83 30.78 1uff s MET 62 CO 0.38 -2.15 0.00 -0.35 -2.03 0.00 0.00 175.02 170.87 1uff n PRO 63 N -3.70 0.38 0.00 3.16 -0.04 -1.26 -4.44 135.00 129.09 1uff n PRO 63 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1uff n PRO 63 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1uff n PRO 63 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uff n SER 64 N -1.24 0.00 -4.39 3.54 2.88 -1.26 -4.80 113.62 108.35 1uff n SER 64 Ca 0.00 0.00 -0.62 0.00 -1.33 0.00 0.00 58.87 56.92 1uff n SER 64 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1uff n SER 64 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1uff n SER 65 N 1.54 0.96 -3.30 -3.46 3.41 -1.26 -4.84 113.62 106.67 1uff n SER 65 Ca 0.00 0.92 -0.05 0.00 -0.26 0.00 0.00 58.87 59.48 1uff n SER 65 Cb 0.00 -0.87 0.02 0.00 -0.26 0.00 0.00 64.21 63.10 1uff n SER 65 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1uff s GLU 66 N 4.35 1.57 -0.09 4.33 -1.05 -1.26 -5.01 118.70 121.53 1uff s GLU 66 Ca 1.09 -0.99 0.02 0.00 -0.15 0.00 0.00 54.97 54.94 1uff s GLU 66 Cb -1.46 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 32.69 1uff s GLU 66 CO 0.72 -0.73 -0.14 0.54 0.95 0.00 0.00 175.26 176.60 1uff s ASN 67 N -3.25 2.21 0.43 0.83 2.20 -1.26 -5.05 114.94 111.05 1uff s ASN 67 Ca 0.19 -0.38 0.00 0.00 -0.94 0.00 0.00 52.86 51.73 1uff s ASN 67 Cb -0.03 -0.99 0.00 0.00 -2.00 0.00 0.00 41.25 38.23 1uff s ASN 67 CO 0.07 0.01 0.00 -0.62 -2.94 0.00 0.00 177.10 173.62 1uff n GLU 68 N 4.11 -2.91 -3.61 3.55 4.71 -1.26 -5.06 120.64 120.17 1uff n GLU 68 Ca -0.20 2.28 -0.13 0.00 -0.01 0.00 0.00 57.16 59.10 1uff n GLU 68 Cb 0.51 -2.90 -0.07 0.00 -1.01 0.00 0.00 31.44 27.98 1uff n GLU 68 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1uff s LYS 69 N -4.87 0.73 -0.44 3.49 2.36 -1.26 -5.13 119.74 114.62 1uff s LYS 69 Ca 0.00 0.66 -0.17 0.00 -2.55 0.00 0.00 55.97 53.91 1uff s LYS 69 Cb 0.00 0.35 0.04 0.00 -1.05 0.00 0.00 37.83 37.17 1uff s LYS 69 CO 0.00 -0.13 0.46 0.00 1.55 0.00 0.00 175.35 177.22 1uff s ALA 70 N -0.07 3.44 0.72 3.13 0.00 -1.26 -5.06 121.76 122.67 1uff s ALA 70 Ca -0.01 -1.67 -0.11 0.00 0.00 0.00 0.00 51.96 50.17 1uff s ALA 70 Cb -0.04 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1uff s ALA 70 CO 0.00 -1.68 1.07 0.54 0.00 0.00 0.00 175.76 175.69 1uff s VAL 71 N 2.11 3.77 -0.53 0.00 0.11 -1.26 -5.03 120.40 119.58 1uff s VAL 71 Ca 0.11 0.58 0.04 0.00 -2.93 0.00 0.00 61.98 59.77 1uff s VAL 71 Cb -0.19 -3.30 0.17 0.00 -1.53 0.00 0.00 36.38 31.53 1uff s VAL 71 CO 0.12 -0.75 0.39 -0.44 -3.33 0.00 0.00 175.10 171.08 1uff s SER 72 N -3.79 3.03 0.71 3.54 0.01 -1.26 -5.11 113.70 110.83 1uff s SER 72 Ca 0.59 -3.31 0.00 0.00 1.31 0.00 0.00 55.95 54.54 1uff s SER 72 Cb -0.14 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.12 1uff s SER 72 CO 0.55 -0.15 0.00 -0.81 0.41 0.00 0.00 173.24 173.24 1uff n PRO 73 N 2.61 -0.06 -1.32 12.44 -0.04 -1.26 -4.95 135.00 142.42 1uff n PRO 73 Ca 0.23 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1uff n PRO 73 Cb 0.41 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.80 1uff n PRO 73 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1uff n LYS 74 N -0.89 -3.14 -3.75 0.54 4.76 -1.26 -5.07 118.16 109.34 1uff n LYS 74 Ca 0.00 2.55 -0.02 0.00 -2.87 0.00 0.00 58.31 57.97 1uff n LYS 74 Cb 0.00 -3.53 -0.01 0.00 -1.84 0.00 0.00 35.03 29.66 1uff n LYS 74 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1uff s LYS 75 N -4.41 1.02 0.44 1.97 -2.85 -1.26 -5.18 119.74 109.47 1uff s LYS 75 Ca 0.00 -0.58 0.06 0.00 -1.00 0.00 0.00 55.97 54.44 1uff s LYS 75 Cb 0.00 0.33 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1uff s LYS 75 CO 0.00 -0.47 0.60 0.00 0.10 0.00 0.00 175.35 175.59 1uff s ALA 76 N -2.88 4.28 -0.30 0.59 0.00 -1.26 -5.11 121.76 117.08 1uff s ALA 76 Ca 0.15 -1.51 -0.18 0.00 0.00 0.00 0.00 51.96 50.42 1uff s ALA 76 Cb -0.00 -1.77 0.20 0.00 0.00 0.00 0.00 23.12 21.55 1uff s ALA 76 CO 0.01 -0.35 1.28 -1.17 0.00 0.00 0.00 175.76 175.54 1uff s LEU 77 N -4.42 -0.06 0.01 0.00 1.98 -1.26 -5.17 118.68 109.76 1uff s LEU 77 Ca 0.53 0.08 0.07 0.00 -2.89 0.00 0.00 54.13 51.93 1uff s LEU 77 Cb -0.10 1.07 -0.02 0.00 0.66 0.00 0.00 46.19 47.80 1uff s LEU 77 CO 0.34 -0.01 -0.23 -0.22 -1.89 0.00 0.00 176.35 174.34 1uff s LEU 78 N 1.52 2.11 0.58 -0.68 0.20 -1.26 -5.13 118.68 116.01 1uff s LEU 78 Ca -0.04 -0.48 -0.16 0.00 0.69 0.00 0.00 54.13 54.14 1uff s LEU 78 Cb -0.01 -1.12 -0.04 0.00 -0.43 0.00 0.00 46.19 44.58 1uff s LEU 78 CO -0.13 0.24 1.05 -2.16 -0.29 0.00 0.00 176.35 175.06 1uff s PRO 79 N -0.87 3.40 1.06 0.98 0.04 -1.26 -5.05 135.00 133.30 1uff s PRO 79 Ca 0.09 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 1uff s PRO 79 Cb -0.09 -2.05 0.23 0.00 0.04 0.00 0.00 34.50 32.64 1uff s PRO 79 CO 0.01 -0.74 1.21 -1.25 0.04 0.00 0.00 177.00 176.27 1uff s PRO 80 N -4.08 -0.13 0.12 0.56 0.04 -1.26 -5.10 135.00 125.15 1uff s PRO 80 Ca 0.63 -0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.52 1uff s PRO 80 Cb -0.15 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1uff s PRO 80 CO 0.36 -2.97 -0.10 0.95 0.04 0.00 0.00 177.00 175.29 1uff s THR 81 N -3.44 1.02 0.13 1.26 -4.23 -1.26 -5.16 115.64 103.96 1uff s THR 81 Ca 0.72 -1.83 0.11 0.00 -1.18 0.00 0.00 61.69 59.51 1uff s THR 81 Cb -0.07 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1uff s THR 81 CO 0.54 -0.65 -0.27 0.54 -0.54 0.00 0.00 174.62 174.24 1uff s VAL 82 N -2.87 2.27 0.01 2.29 0.11 -1.26 -5.14 120.40 115.81 1uff s VAL 82 Ca 0.10 -1.76 -0.28 0.00 -2.93 0.00 0.00 61.98 57.12 1uff s VAL 82 Cb -0.00 -2.01 0.09 0.00 -1.53 0.00 0.00 36.38 32.93 1uff s VAL 82 CO -0.00 0.09 0.78 -0.55 -3.33 0.00 0.00 175.10 172.08 1uff s SER 83 N -2.07 -0.49 0.34 3.54 0.15 -1.26 -5.19 113.70 108.73 1uff s SER 83 Ca 0.14 0.23 -0.13 0.00 0.70 0.00 0.00 55.95 56.89 1uff s SER 83 Cb -0.10 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 1uff s SER 83 CO 0.06 -0.67 0.66 -0.22 1.20 0.00 0.00 173.24 174.27 1uff s LEU 84 N -2.03 0.25 -0.05 3.45 2.96 -1.26 -5.19 118.68 116.82 1uff s LEU 84 Ca -0.01 -1.13 -0.31 0.00 -0.22 0.00 0.00 54.13 52.47 1uff s LEU 84 Cb -0.01 2.36 0.12 0.00 0.50 0.00 0.00 46.19 49.16 1uff s LEU 84 CO -0.04 -1.48 1.34 -0.55 -1.32 0.00 0.00 176.35 174.30 1uff s SER 85 N -3.08 -0.02 0.31 3.68 0.15 -1.26 -5.18 113.70 108.30 1uff s SER 85 Ca 0.19 -0.11 0.10 0.00 0.70 0.00 0.00 55.95 56.84 1uff s SER 85 Cb -0.04 0.10 -0.06 0.00 -1.71 0.00 0.00 66.02 64.32 1uff s SER 85 CO 0.13 -0.19 -0.12 0.00 1.20 0.00 0.00 173.24 174.25 1uff s ALA 86 N -2.16 2.91 -0.26 5.45 0.00 -1.26 -5.14 121.76 121.30 1uff s ALA 86 Ca 0.20 -1.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.08 1uff s ALA 86 Cb 0.04 -0.21 0.10 0.00 0.00 0.00 0.00 23.12 23.05 1uff s ALA 86 CO -0.04 0.17 0.59 0.99 0.00 0.00 0.00 175.76 177.48 1uff s THR 87 N -2.54 -0.50 0.47 0.00 2.01 -1.26 -5.17 115.64 108.65 1uff s THR 87 Ca 0.32 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.44 1uff s THR 87 Cb -0.01 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.64 1uff s THR 87 CO 0.16 0.02 0.61 -0.55 -0.69 0.00 0.00 174.62 174.17 1uff s SER 88 N 2.26 5.39 0.09 3.53 0.15 -1.26 -5.14 113.70 118.72 1uff s SER 88 Ca -0.07 -0.61 -0.26 0.00 0.70 0.00 0.00 55.95 55.71 1uff s SER 88 Cb -0.09 -0.32 0.07 0.00 -1.71 0.00 0.00 66.02 63.96 1uff s SER 88 CO -0.17 -0.94 0.63 -0.83 1.20 0.00 0.00 173.24 173.13 1uff s GLY 89 N -4.42 -0.60 0.57 9.45 0.00 -1.26 -5.18 107.32 105.88 1uff s GLY 89 Ca 0.56 0.76 -0.10 0.00 0.00 0.00 0.00 44.72 45.94 1uff s GLY 89 CO 0.34 0.41 0.63 -1.55 0.00 0.00 0.00 173.10 172.92 1uff n PRO 90 N 0.01 -1.38 -4.21 2.90 -0.04 -1.26 -5.11 135.00 125.92 1uff n PRO 90 Ca -0.17 -0.98 -0.13 0.00 -0.04 0.00 0.00 63.50 62.18 1uff n PRO 90 Cb 0.63 -0.77 -0.10 0.00 -0.04 0.00 0.00 33.50 33.21 1uff n PRO 90 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1uff s SER 91 N -3.27 0.27 0.37 3.54 1.04 -1.26 -5.17 113.70 109.21 1uff s SER 91 Ca 0.38 -1.42 0.08 0.00 0.48 0.00 0.00 55.95 55.47 1uff s SER 91 Cb -0.02 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 1uff s SER 91 CO 0.28 -0.86 0.33 -0.94 0.98 0.00 0.00 173.24 173.02 1uff s SER 92 N -3.18 5.16 0.00 7.02 1.04 -1.26 -5.39 113.70 117.10 1uff s SER 92 Ca 0.39 -0.62 0.22 0.00 0.48 0.00 0.00 55.95 56.43 1uff s SER 92 Cb 0.07 -0.78 1.34 0.00 0.10 0.00 0.00 66.02 66.75 1uff s SER 92 CO 0.13 -0.49 1.72 0.61 0.98 0.00 0.00 173.24 176.19