#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uep s SER 2 N 0.00 6.06 0.20 1.61 0.15 -1.26 -4.94 113.70 115.51 1uep s SER 2 Ca 0.00 1.37 -0.20 0.00 0.70 0.00 0.00 55.95 57.82 1uep s SER 2 Cb 0.00 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1uep s SER 2 CO 0.00 -1.56 0.58 -0.55 1.20 0.00 0.00 173.24 172.91 1uep s SER 3 N 5.43 -0.36 0.00 5.45 0.15 -1.26 -5.14 113.70 117.98 1uep s SER 3 Ca 0.77 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1uep s SER 3 Cb -0.23 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1uep s SER 3 CO 0.33 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1uep n GLY 4 N -0.37 0.00 3.83 9.45 0.00 -1.26 -4.91 105.19 111.93 1uep n GLY 4 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1uep n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uep s SER 5 N -0.84 -0.15 -0.45 1.61 0.15 -1.26 -5.10 113.70 107.65 1uep s SER 5 Ca 0.00 -0.79 0.03 0.00 0.70 0.00 0.00 55.95 55.89 1uep s SER 5 Cb 0.00 0.75 0.16 0.00 -1.71 0.00 0.00 66.02 65.21 1uep s SER 5 CO 0.00 -1.42 0.32 -0.44 1.20 0.00 0.00 173.24 172.89 1uep s SER 6 N -2.99 2.76 0.00 5.45 0.01 -1.26 -4.89 113.70 112.77 1uep s SER 6 Ca 0.13 -2.92 0.00 0.00 1.31 0.00 0.00 55.95 54.47 1uep s SER 6 Cb -0.05 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.43 1uep s SER 6 CO 0.08 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1uep n GLY 7 N 3.10 0.88 1.62 3.44 0.00 -1.26 -5.10 105.19 107.87 1uep n GLY 7 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1uep n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1uep n TYR 8 N 0.00 -2.30 -4.14 1.61 4.11 -1.26 -1.75 117.16 113.42 1uep n TYR 8 Ca 0.00 -0.91 -0.17 0.00 -0.00 0.00 0.00 57.90 56.82 1uep n TYR 8 Cb 0.13 -0.22 -0.15 0.00 -0.00 0.00 0.00 39.34 39.11 1uep n TYR 8 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.86 175.27 1uep s LYS 9 N -3.06 0.48 0.41 -3.48 -2.85 -0.67 -4.67 119.74 105.91 1uep s LYS 9 Ca 0.22 -0.15 -0.15 0.00 -1.00 0.00 0.00 55.97 54.89 1uep s LYS 9 Cb -0.02 -0.49 -0.08 0.00 -2.06 0.00 0.00 37.83 35.18 1uep s LYS 9 CO 0.14 0.06 0.84 -1.21 0.10 0.00 0.00 175.35 175.29 1uep s GLU 10 N 0.15 3.97 0.31 1.78 2.02 -1.26 -1.72 118.70 123.94 1uep s GLU 10 Ca -0.01 0.76 0.10 0.00 0.02 0.00 0.00 54.97 55.83 1uep s GLU 10 Cb -0.05 -2.30 -0.06 0.00 0.10 0.00 0.00 34.13 31.82 1uep s GLU 10 CO -0.00 -0.04 -0.12 -0.51 0.02 0.00 0.00 175.26 174.61 1uep s LEU 11 N -3.53 2.64 -0.14 1.80 1.02 0.15 -4.97 118.68 115.65 1uep s LEU 11 Ca 0.56 -1.14 0.01 0.00 0.02 0.00 0.00 54.13 53.58 1uep s LEU 11 Cb -0.10 -0.94 0.02 0.00 0.02 0.00 0.00 46.19 45.19 1uep s LEU 11 CO 0.24 -0.16 -0.14 1.51 0.02 0.00 0.00 176.35 177.82 1uep s ASP 12 N -3.53 2.59 -0.26 2.29 1.47 -1.26 -3.00 116.67 114.97 1uep s ASP 12 Ca 0.31 -0.46 0.02 0.00 1.18 0.00 0.00 52.55 53.60 1uep s ASP 12 Cb 0.00 -1.14 0.06 0.00 -0.34 0.00 0.00 42.92 41.51 1uep s ASP 12 CO 0.15 -0.04 -0.08 -0.69 0.68 0.00 0.00 175.17 175.18 1uep s VAL 13 N 1.37 2.00 0.34 2.11 1.01 -0.31 -5.00 120.40 121.92 1uep s VAL 13 Ca 0.02 -1.59 -0.26 0.00 0.00 0.00 0.00 61.98 60.16 1uep s VAL 13 Cb -0.13 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.97 1uep s VAL 13 CO -0.08 -0.10 0.99 -2.28 0.00 0.00 0.00 175.10 173.62 1uep s HIS 14 N 1.17 3.56 -0.02 5.22 5.04 -1.26 -0.33 115.29 128.66 1uep s HIS 14 Ca -0.06 1.74 -0.00 0.00 -1.54 0.00 0.00 55.06 55.19 1uep s HIS 14 Cb -0.20 -3.01 0.03 0.00 0.04 0.00 0.00 32.58 29.44 1uep s HIS 14 CO -0.06 -0.09 0.04 -0.51 -2.34 0.00 0.00 174.74 171.78 1uep s LEU 15 N -2.18 0.90 0.73 8.88 1.43 -0.49 -4.99 118.68 122.96 1uep s LEU 15 Ca 0.52 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.56 1uep s LEU 15 Cb -0.21 -0.08 0.03 0.00 0.03 0.00 0.00 46.19 45.97 1uep s LEU 15 CO 0.26 -0.15 1.07 0.00 0.23 0.00 0.00 176.35 177.76 1uep s ARG 16 N 1.28 2.66 -0.36 1.70 1.70 -1.26 -0.56 118.95 124.11 1uep s ARG 16 Ca -0.07 1.04 0.01 0.00 -0.47 0.00 0.00 55.73 56.24 1uep s ARG 16 Cb -0.13 -1.95 0.14 0.00 -0.57 0.00 0.00 34.95 32.44 1uep s ARG 16 CO -0.03 -1.32 0.25 0.50 -1.08 0.00 0.00 175.30 173.62 1uep s ARG 17 N -4.99 0.57 0.00 3.89 3.52 0.71 -4.12 118.95 118.53 1uep s ARG 17 Ca 0.59 -1.27 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1uep s ARG 17 Cb -0.15 -1.19 0.00 0.00 -1.56 0.00 0.00 34.95 32.05 1uep s ARG 17 CO 0.55 -1.21 0.00 -1.33 -0.81 0.00 0.00 175.30 172.50 1uep n MET 18 N 4.03 0.00 0.00 5.12 2.81 -1.26 -4.46 117.12 123.37 1uep n MET 18 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1uep n MET 18 Cb 0.39 -0.12 0.00 0.00 -0.71 0.00 0.00 33.22 32.77 1uep n MET 18 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1uep n GLU 19 N -1.63 0.34 0.00 0.03 1.02 -1.26 -4.86 120.64 114.28 1uep n GLU 19 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1uep n GLU 19 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 1uep n GLU 19 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1uep n SER 20 N -1.15 0.00 0.00 1.62 7.64 -1.26 -4.89 113.62 115.58 1uep n SER 20 Ca 0.00 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1uep n SER 20 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1uep n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uep n GLY 21 N -0.31 -1.13 3.72 0.23 0.00 -1.26 -4.93 105.19 101.51 1uep n GLY 21 Ca 0.01 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 1uep n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uep s PHE 22 N -1.58 2.15 -0.45 1.61 0.08 -1.26 -4.27 117.98 114.26 1uep s PHE 22 Ca 0.00 1.60 0.07 0.00 0.12 0.00 0.00 56.93 58.72 1uep s PHE 22 Cb 0.00 -3.17 0.23 0.00 -0.57 0.00 0.00 43.02 39.51 1uep s PHE 22 CO 0.00 -2.31 0.68 0.41 -0.10 0.00 0.00 175.22 173.90 1uep n GLY 23 N -0.60 1.21 3.32 4.36 0.00 -1.26 -4.90 105.19 107.31 1uep n GLY 23 Ca 0.10 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 1uep n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uep s PHE 24 N -0.03 1.05 0.13 1.61 -0.12 -1.26 -0.83 117.98 118.52 1uep s PHE 24 Ca 0.33 -1.26 0.04 0.00 -0.05 0.00 0.00 56.93 55.99 1uep s PHE 24 Cb 0.16 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 1uep s PHE 24 CO -0.17 -0.79 -0.10 0.50 -0.05 0.00 0.00 175.22 174.61 1uep s ARG 25 N -3.94 0.99 -0.07 1.99 3.52 0.41 -4.90 118.95 116.95 1uep s ARG 25 Ca 0.35 -1.36 -0.01 0.00 -0.13 0.00 0.00 55.73 54.58 1uep s ARG 25 Cb 0.04 -0.58 0.03 0.00 -1.56 0.00 0.00 34.95 32.88 1uep s ARG 25 CO 0.14 0.07 -0.01 0.96 -0.81 0.00 0.00 175.30 175.65 1uep s ILE 26 N -3.09 0.46 0.40 4.11 -4.36 -1.26 -0.67 121.20 116.79 1uep s ILE 26 Ca 0.13 0.05 0.02 0.00 -0.26 0.00 0.00 60.65 60.59 1uep s ILE 26 Cb 0.01 -0.59 0.02 0.00 1.25 0.00 0.00 42.46 43.16 1uep s ILE 26 CO 0.00 0.27 0.19 0.18 0.24 0.00 0.00 174.94 175.81 1uep n LEU 27 N 4.97 0.00 0.00 0.37 7.99 -0.82 -4.82 117.00 124.69 1uep n LEU 27 Ca -0.10 -2.24 0.00 0.00 -0.01 0.00 0.00 56.01 53.66 1uep n LEU 27 Cb 0.50 0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1uep n LEU 27 CO 0.13 -0.44 0.00 0.61 -1.51 0.00 0.00 177.39 176.18 1uep n GLY 28 N 0.21 1.88 2.53 -0.72 0.00 -1.26 -3.81 105.19 104.02 1uep n GLY 28 Ca -0.07 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 1uep n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uep n GLY 29 N 0.00 1.90 0.26 -0.02 0.00 0.01 -4.58 105.19 102.76 1uep n GLY 29 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1uep n GLY 29 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1uep h ASP 30 N 0.00 0.00 -5.24 1.61 3.58 -1.89 0.16 116.42 114.64 1uep h ASP 30 Ca -0.41 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.92 1uep h ASP 30 Cb 1.30 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.20 1uep h ASP 30 CO 0.60 0.09 -0.66 -1.61 -2.88 0.00 0.00 179.24 174.78 1uep s GLU 31 N -4.46 0.64 -0.17 0.28 2.02 -1.26 -4.91 118.70 110.84 1uep s GLU 31 Ca -0.04 -1.22 -0.30 0.00 0.02 0.00 0.00 54.97 53.44 1uep s GLU 31 Cb 0.14 0.22 -0.07 0.00 0.10 0.00 0.00 34.13 34.52 1uep s GLU 31 CO 0.60 -0.13 2.15 -2.30 0.02 0.00 0.00 175.26 175.61 1uep n PRO 32 N 0.09 2.07 0.00 0.39 -0.02 -1.26 -1.96 135.00 134.31 1uep n PRO 32 Ca -0.14 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1uep n PRO 32 Cb 0.61 -3.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 1uep n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uep n GLY 33 N 5.53 0.61 3.76 -1.23 0.00 -1.16 -4.95 105.19 107.74 1uep n GLY 33 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 1uep n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uep s GLN 34 N -0.63 2.53 0.71 1.61 -0.21 -0.83 -4.85 119.66 118.00 1uep s GLN 34 Ca 0.00 1.45 -0.16 0.00 0.02 0.00 0.00 55.36 56.66 1uep s GLN 34 Cb 0.00 -1.91 0.03 0.00 1.00 0.00 0.00 33.01 32.12 1uep s GLN 34 CO 0.00 -1.47 1.24 -2.30 -2.12 0.00 0.00 175.29 170.64 1uep n PRO 35 N -2.68 0.72 -3.91 2.91 -0.02 -1.26 -4.47 135.00 126.30 1uep n PRO 35 Ca 0.11 0.31 -0.32 0.00 -2.02 0.00 0.00 63.50 61.58 1uep n PRO 35 Cb 0.52 -2.47 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 1uep n PRO 35 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1uep s ILE 36 N -1.69 2.80 0.46 4.25 1.01 -1.26 -0.81 121.20 125.96 1uep s ILE 36 Ca 0.79 -2.85 -0.17 0.00 0.00 0.00 0.00 60.65 58.42 1uep s ILE 36 Cb -0.35 -2.94 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 1uep s ILE 36 CO 0.45 -0.75 0.92 -0.76 0.00 0.00 0.00 174.94 174.80 1uep s LEU 37 N 0.24 3.78 0.35 2.97 1.43 -1.25 -0.20 118.68 126.00 1uep s LEU 37 Ca 0.14 1.52 -0.28 0.00 -1.03 0.00 0.00 54.13 54.48 1uep s LEU 37 Cb -0.23 -4.41 -0.12 0.00 0.03 0.00 0.00 46.19 41.47 1uep s LEU 37 CO -0.03 -0.46 1.43 -0.38 0.23 0.00 0.00 176.35 177.14 1uep n ILE 38 N -1.17 1.86 -0.09 -0.59 2.08 0.19 -1.95 119.36 119.69 1uep n ILE 38 Ca 0.06 -0.47 -0.12 0.00 0.56 0.00 0.00 62.75 62.78 1uep n ILE 38 Cb 0.54 -1.83 -0.05 0.00 -0.75 0.00 0.00 39.64 37.55 1uep n ILE 38 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uep n GLY 39 N 0.79 -0.77 2.96 7.39 0.00 0.16 -1.79 105.19 113.92 1uep n GLY 39 Ca 0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1uep n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uep s ALA 40 N -2.68 -0.01 -0.16 4.61 0.00 -1.23 -4.62 121.76 117.68 1uep s ALA 40 Ca -0.24 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1uep s ALA 40 Cb 0.05 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1uep s ALA 40 CO 0.38 -0.10 -0.17 0.08 0.00 0.00 0.00 175.76 175.95 1uep s VAL 41 N -0.83 2.48 -0.38 0.00 1.01 -1.26 -0.44 120.40 120.98 1uep s VAL 41 Ca -0.09 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1uep s VAL 41 Cb -0.06 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1uep s VAL 41 CO -0.00 0.52 1.48 -0.63 0.00 0.00 0.00 175.10 176.46 1uep s ILE 42 N 0.97 3.84 0.59 2.22 -1.09 -0.01 -4.88 121.20 122.83 1uep s ILE 42 Ca -0.03 0.86 -0.19 0.00 -2.23 0.00 0.00 60.65 59.07 1uep s ILE 42 Cb -0.15 -4.08 -0.05 0.00 -1.58 0.00 0.00 42.46 36.60 1uep s ILE 42 CO -0.03 -0.66 0.96 0.00 -1.23 0.00 0.00 174.94 173.98 1uep n ALA 43 N 8.97 0.15 -0.22 9.38 0.00 -1.26 -2.99 120.51 134.54 1uep n ALA 43 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1uep n ALA 43 Cb 0.48 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1uep n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1uep n MET 44 N -0.90 0.00 0.00 0.00 2.81 -1.26 -4.95 117.12 112.82 1uep n MET 44 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1uep n MET 44 Cb 0.47 -3.41 0.00 0.00 -0.71 0.00 0.00 33.22 29.57 1uep n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uep n GLY 45 N -2.00 0.31 0.24 3.03 0.00 -1.16 -4.86 105.19 100.75 1uep n GLY 45 Ca 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 1uep n GLY 45 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uep h SER 46 N 0.00 -0.49 -0.42 1.61 0.02 -1.84 -3.34 113.55 109.10 1uep h SER 46 Ca 0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1uep h SER 46 Cb 0.00 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1uep h SER 46 CO 0.00 -0.25 0.22 0.00 -1.14 0.00 0.00 176.83 175.66 1uep h ALA 47 N -1.53 0.54 -0.43 3.77 0.00 -1.81 0.99 119.26 120.79 1uep h ALA 47 Ca -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1uep h ALA 47 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1uep h ALA 47 CO 0.10 0.08 0.27 0.22 0.00 0.00 0.00 179.25 179.92 1uep h ASP 48 N 0.55 0.45 -0.79 0.00 3.58 -1.80 0.14 116.42 118.55 1uep h ASP 48 Ca 0.15 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 1uep h ASP 48 Cb 0.08 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 1uep h ASP 48 CO -0.02 0.33 0.34 -0.09 -2.88 0.00 0.00 179.24 176.91 1uep h ARG 49 N 0.55 1.17 -0.60 0.28 2.43 -1.48 -2.16 114.38 114.57 1uep h ARG 49 Ca 0.16 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1uep h ARG 49 Cb -0.03 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 1uep h ARG 49 CO -0.05 0.93 0.26 0.22 -1.51 0.00 0.00 179.97 179.82 1uep h ASP 50 N 1.15 0.78 -0.34 -3.80 1.82 -0.47 -3.47 116.42 112.08 1uep h ASP 50 Ca 0.27 -0.09 -0.15 0.00 -0.39 0.00 0.00 57.03 56.67 1uep h ASP 50 Cb 0.18 -0.20 -0.06 0.00 0.68 0.00 0.00 39.33 39.94 1uep h ASP 50 CO -0.03 0.68 -0.13 0.61 -1.61 0.00 0.00 179.24 178.76 1uep n GLY 51 N -1.09 0.84 0.11 -0.78 0.00 0.01 -4.84 105.19 99.43 1uep n GLY 51 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1uep n GLY 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1uep n ARG 52 N -1.59 0.68 -2.77 1.61 0.63 -1.26 -4.87 116.66 109.09 1uep n ARG 52 Ca -0.07 0.07 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1uep n ARG 52 Cb 0.38 -1.56 -0.06 0.00 0.45 0.00 0.00 32.46 31.67 1uep n ARG 52 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1uep s LEU 53 N -5.87 4.17 0.01 6.15 1.43 -1.26 -5.05 118.68 118.26 1uep s LEU 53 Ca -0.16 1.80 -0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1uep s LEU 53 Cb 0.07 -4.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 1uep s LEU 53 CO 0.77 -0.23 -0.02 -1.00 0.23 0.00 0.00 176.35 176.11 1uep s HIS 54 N -1.84 0.18 -0.28 0.29 3.76 -1.26 -4.82 115.29 111.32 1uep s HIS 54 Ca 0.56 -0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.82 1uep s HIS 54 Cb -0.15 -0.13 -0.02 0.00 1.11 0.00 0.00 32.58 33.39 1uep s HIS 54 CO 0.20 -0.13 1.68 -1.25 -0.85 0.00 0.00 174.74 174.39 1uep s PRO 55 N -1.00 3.59 0.00 8.40 0.04 -1.26 -2.64 135.00 142.13 1uep s PRO 55 Ca -0.11 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1uep s PRO 55 Cb -0.07 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1uep s PRO 55 CO -0.01 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 175.89 1uep n GLY 56 N 5.02 1.36 3.77 0.56 0.00 -0.74 -4.95 105.19 110.21 1uep n GLY 56 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1uep n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uep s ASP 57 N -1.08 6.65 -0.21 1.61 1.11 -1.08 -4.64 116.67 119.02 1uep s ASP 57 Ca 0.00 2.66 -0.21 0.00 0.18 0.00 0.00 52.55 55.18 1uep s ASP 57 Cb 0.00 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 1uep s ASP 57 CO 0.00 -0.62 0.63 -0.70 1.18 0.00 0.00 175.17 175.66 1uep s GLU 58 N -1.93 4.18 0.67 8.23 2.12 -1.24 -0.64 118.70 130.09 1uep s GLU 58 Ca 0.51 0.60 -0.14 0.00 0.36 0.00 0.00 54.97 56.31 1uep s GLU 58 Cb -0.39 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.41 1uep s GLU 58 CO 0.51 -0.29 1.08 -0.51 -0.54 0.00 0.00 175.26 175.52 1uep s LEU 59 N 2.07 3.30 0.07 2.70 1.43 0.73 -0.29 118.68 128.70 1uep s LEU 59 Ca 0.28 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 1uep s LEU 59 Cb -0.16 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.53 1uep s LEU 59 CO 0.10 -1.54 0.00 0.52 0.23 0.00 0.00 176.35 175.66 1uep n VAL 60 N -2.65 0.11 -4.27 -1.59 0.31 0.35 -4.69 118.33 105.89 1uep n VAL 60 Ca 0.09 0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.26 1uep n VAL 60 Cb 0.53 -0.80 -0.13 0.00 -0.91 0.00 0.00 33.84 32.53 1uep n VAL 60 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1uep s TYR 61 N -2.00 1.33 -0.06 3.52 1.51 -0.97 -0.85 117.35 119.82 1uep s TYR 61 Ca 0.00 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1uep s TYR 61 Cb 0.00 -0.76 0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1uep s TYR 61 CO 0.00 0.07 0.13 0.08 -1.11 0.00 0.00 175.55 174.72 1uep s VAL 62 N -1.09 -0.11 0.00 0.71 1.01 -0.10 -1.23 120.40 119.59 1uep s VAL 62 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1uep s VAL 62 Cb -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1uep s VAL 62 CO 0.02 0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.55 1uep n ASP 63 N 4.58 0.00 0.00 3.32 2.03 0.25 -0.81 116.55 125.93 1uep n ASP 63 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1uep n ASP 63 Cb 0.51 -1.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 1uep n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uep n GLY 64 N -2.00 1.68 3.80 0.27 0.00 -1.26 -4.74 105.19 102.94 1uep n GLY 64 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1uep n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uep s ILE 65 N -1.44 5.42 -0.17 -0.61 1.09 0.01 -4.97 121.20 120.53 1uep s ILE 65 Ca 0.00 0.27 -0.29 0.00 -1.10 0.00 0.00 60.65 59.53 1uep s ILE 65 Cb 0.00 -3.47 -0.02 0.00 -1.06 0.00 0.00 42.46 37.91 1uep s ILE 65 CO 0.00 0.52 1.38 -2.16 -0.10 0.00 0.00 174.94 174.58 1uep s PRO 66 N -0.31 4.14 0.00 2.79 0.04 -1.26 -0.92 135.00 139.47 1uep s PRO 66 Ca 0.13 1.71 0.30 0.00 0.04 0.00 0.00 61.00 63.17 1uep s PRO 66 Cb -0.12 -3.85 1.40 0.00 0.04 0.00 0.00 34.50 31.97 1uep s PRO 66 CO 0.02 -0.85 2.00 1.33 0.04 0.00 0.00 177.00 179.54 1uep n VAL 67 N 5.61 0.00 -1.84 -0.36 0.24 -0.03 -4.80 118.33 117.14 1uep n VAL 67 Ca 0.15 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.03 1uep n VAL 67 Cb 0.45 -0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 32.31 1uep n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uep s ALA 68 N -2.73 3.46 0.00 2.33 0.00 -1.23 -1.36 121.76 122.23 1uep s ALA 68 Ca 0.23 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1uep s ALA 68 Cb 0.20 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1uep s ALA 68 CO 0.49 -1.69 0.00 0.41 0.00 0.00 0.00 175.76 174.97 1uep n GLY 69 N 4.54 1.96 0.98 0.00 0.00 -1.26 -5.00 105.19 106.41 1uep n GLY 69 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 1uep n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uep n LYS 70 N -2.00 -0.51 -3.07 1.61 4.76 -0.46 -3.01 118.16 115.48 1uep n LYS 70 Ca 0.00 -0.52 -0.18 0.00 -2.87 0.00 0.00 58.31 54.74 1uep n LYS 70 Cb 0.00 -0.36 0.02 0.00 -1.84 0.00 0.00 35.03 32.84 1uep n LYS 70 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1uep s THR 71 N -1.72 2.78 0.15 -0.18 -4.23 -1.26 -3.19 115.64 107.99 1uep s THR 71 Ca 0.19 -1.03 -0.23 0.00 -1.18 0.00 0.00 61.69 59.44 1uep s THR 71 Cb -0.01 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 71.05 1uep s THR 71 CO 0.14 0.00 1.62 -0.74 -0.54 0.00 0.00 174.62 175.10 1uep h HIS 72 N 0.57 -0.72 0.00 3.99 -0.00 -0.91 -2.84 115.15 115.23 1uep h HIS 72 Ca -0.38 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.02 1uep h HIS 72 Cb 1.28 0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 29.05 1uep h HIS 72 CO 0.42 -0.34 -0.08 -0.09 -0.00 0.00 0.00 177.93 177.84 1uep h ARG 73 N -0.27 0.00 -0.48 5.26 9.65 -1.94 0.09 114.38 126.69 1uep h ARG 73 Ca 0.14 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 59.11 1uep h ARG 73 Cb 0.49 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.99 1uep h ARG 73 CO -0.41 0.08 -0.03 -0.92 2.80 0.00 0.00 179.97 181.49 1uep h TYR 74 N 0.00 -0.08 -0.19 2.20 5.03 -1.90 -2.08 116.97 119.94 1uep h TYR 74 Ca -0.00 0.04 -0.17 0.00 2.58 0.00 0.00 58.73 61.17 1uep h TYR 74 Cb 0.25 0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.63 1uep h TYR 74 CO 0.00 -0.13 -0.59 0.28 -1.32 0.00 0.00 178.16 176.40 1uep h VAL 75 N 0.09 1.31 0.00 1.81 2.07 -1.07 -2.57 116.25 117.90 1uep h VAL 75 Ca 0.24 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 1uep h VAL 75 Cb 0.36 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1uep h VAL 75 CO -0.42 0.57 -0.17 0.40 0.02 0.00 0.00 177.57 177.98 1uep h ILE 76 N 0.47 0.96 -0.22 4.57 1.08 -1.14 0.60 117.51 123.83 1uep h ILE 76 Ca 0.00 -0.61 -0.06 0.00 -0.39 0.00 0.00 64.86 63.80 1uep h ILE 76 Cb 1.15 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 1uep h ILE 76 CO 0.11 0.16 -0.11 0.44 -0.69 0.00 0.00 178.15 178.07 1uep h ASP 77 N 0.00 0.47 -0.11 1.72 3.32 -1.18 -3.17 116.42 117.46 1uep h ASP 77 Ca -0.00 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.65 1uep h ASP 77 Cb 0.33 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1uep h ASP 77 CO 0.02 0.78 0.01 -0.07 -1.72 0.00 0.00 179.24 178.25 1uep h LEU 78 N 0.16 -0.03 -2.63 1.55 -0.00 -0.77 -1.92 115.31 111.67 1uep h LEU 78 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1uep h LEU 78 Cb 0.60 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1uep h LEU 78 CO 0.03 0.00 0.11 0.24 -0.00 0.00 0.00 178.44 178.83 1uep h MET 79 N 0.05 0.00 0.01 1.13 2.86 -1.02 0.00 114.93 117.96 1uep h MET 79 Ca 0.05 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1uep h MET 79 Cb 0.06 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.72 1uep h MET 79 CO -0.08 0.00 -0.24 0.45 1.06 0.00 0.00 176.91 178.10 1uep h HIS 80 N 0.00 0.22 -0.35 -0.22 3.86 -1.32 -2.94 115.15 114.41 1uep h HIS 80 Ca 0.00 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1uep h HIS 80 Cb 0.22 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1uep h HIS 80 CO 0.00 0.96 0.18 0.45 0.86 0.00 0.00 177.93 180.38 1uep h HIS 81 N -0.57 0.34 -0.86 2.45 -0.00 -1.00 -2.60 115.15 112.90 1uep h HIS 81 Ca -0.03 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.42 1uep h HIS 81 Cb 1.03 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 28.29 1uep h HIS 81 CO 0.19 0.18 0.56 0.00 -0.00 0.00 0.00 177.93 178.87 1uep h ALA 82 N 1.18 1.57 0.00 2.45 0.00 -1.18 0.12 119.26 123.39 1uep h ALA 82 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1uep h ALA 82 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1uep h ALA 82 CO -0.10 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1uep n ALA 83 N -2.41 1.59 0.05 0.00 0.00 -0.99 -1.23 120.51 117.52 1uep n ALA 83 Ca 0.13 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 1uep n ALA 83 Cb 0.21 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.15 1uep n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uep h ARG 84 N 0.00 0.32 0.00 0.00 3.08 -0.68 -3.35 114.38 113.75 1uep h ARG 84 Ca 0.00 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1uep h ARG 84 Cb 0.31 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1uep h ARG 84 CO 0.00 1.26 0.00 -0.91 -1.07 0.00 0.00 179.97 179.25 1uep h ASN 85 N -0.29 0.00 -1.08 7.04 2.35 -0.61 -3.46 115.58 119.53 1uep h ASN 85 Ca -0.20 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.23 1uep h ASN 85 Cb 1.74 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 40.01 1uep h ASN 85 CO 0.14 0.00 -0.31 0.61 -1.65 0.00 0.00 177.43 176.22 1uep n GLY 86 N -0.80 1.15 3.72 2.83 0.00 -0.36 -4.95 105.19 106.77 1uep n GLY 86 Ca -0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 1uep n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uep s GLN 87 N -3.65 1.64 0.11 1.61 -2.07 -1.19 -0.21 119.66 115.91 1uep s GLN 87 Ca 0.00 -1.01 -0.00 0.00 -1.82 0.00 0.00 55.36 52.53 1uep s GLN 87 Cb 0.00 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.44 1uep s GLN 87 CO 0.00 -0.73 0.02 0.54 -1.32 0.00 0.00 175.29 173.80 1uep s VAL 88 N -3.93 0.25 -0.01 3.63 0.11 0.27 -4.47 120.40 116.24 1uep s VAL 88 Ca 0.13 -1.89 0.07 0.00 -2.93 0.00 0.00 61.98 57.36 1uep s VAL 88 Cb -0.04 -1.89 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 1uep s VAL 88 CO 0.05 -0.63 -0.24 0.21 -3.33 0.00 0.00 175.10 171.16 1uep s ASN 89 N -3.03 2.77 -0.22 3.54 3.84 -1.26 -1.39 114.94 119.19 1uep s ASN 89 Ca 0.19 -0.44 -0.03 0.00 0.21 0.00 0.00 52.86 52.78 1uep s ASN 89 Cb 0.07 -0.30 0.07 0.00 -0.55 0.00 0.00 41.25 40.54 1uep s ASN 89 CO -0.01 0.28 0.08 -0.76 -2.79 0.00 0.00 177.10 173.90 1uep s LEU 90 N -0.61 0.93 -0.38 3.21 1.43 0.56 -0.58 118.68 123.23 1uep s LEU 90 Ca 0.09 -0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 1uep s LEU 90 Cb -0.09 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.66 1uep s LEU 90 CO -0.01 -0.36 0.38 -0.89 0.23 0.00 0.00 176.35 175.71 1uep s THR 91 N 1.96 5.15 0.34 5.49 2.01 -0.37 -1.16 115.64 129.06 1uep s THR 91 Ca 0.03 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 61.90 1uep s THR 91 Cb -0.17 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1uep s THR 91 CO -0.16 -0.25 0.48 0.68 -0.69 0.00 0.00 174.62 174.67 1uep s VAL 92 N 2.03 4.16 0.00 3.82 -7.23 -1.16 -0.50 120.40 121.53 1uep s VAL 92 Ca 0.11 -0.95 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 1uep s VAL 92 Cb -0.17 -3.45 0.03 0.00 0.56 0.00 0.00 36.38 33.35 1uep s VAL 92 CO 0.12 -0.18 0.34 0.00 -0.31 0.00 0.00 175.10 175.07 1uep s ARG 93 N -4.19 0.75 -0.15 4.82 1.70 0.61 -0.68 118.95 121.81 1uep s ARG 93 Ca 0.44 -0.26 -0.12 0.00 -0.47 0.00 0.00 55.73 55.32 1uep s ARG 93 Cb -0.10 0.33 0.05 0.00 -0.57 0.00 0.00 34.95 34.67 1uep s ARG 93 CO 0.31 -0.23 0.40 1.03 -1.08 0.00 0.00 175.30 175.73 1uep s ARG 94 N -1.76 0.43 0.16 3.89 0.52 -0.70 -3.67 118.95 117.82 1uep s ARG 94 Ca -0.10 0.63 -0.34 0.00 -0.52 0.00 0.00 55.73 55.41 1uep s ARG 94 Cb -0.03 0.12 -0.16 0.00 0.52 0.00 0.00 34.95 35.40 1uep s ARG 94 CO 0.02 -0.10 1.21 1.63 0.02 0.00 0.00 175.30 178.08 1uep n LYS 95 N 3.42 1.19 -2.27 3.54 5.02 -1.26 -1.67 118.16 126.12 1uep n LYS 95 Ca -0.17 0.42 -0.28 0.00 -2.02 0.00 0.00 58.31 56.26 1uep n LYS 95 Cb 0.56 -1.96 0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1uep n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uep s VAL 96 N -0.05 4.11 0.00 -0.18 1.01 -0.72 -4.87 120.40 119.71 1uep s VAL 96 Ca 0.75 0.29 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1uep s VAL 96 Cb -0.87 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1uep s VAL 96 CO 0.51 -0.71 0.00 -0.11 0.00 0.00 0.00 175.10 174.79 1uep n LEU 97 N -2.61 0.00 -4.29 3.92 0.00 -1.26 -4.89 117.00 107.87 1uep n LEU 97 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.74 1uep n LEU 97 Cb 0.56 0.05 -0.08 0.00 0.00 0.00 0.00 43.42 43.94 1uep n LEU 97 CO 0.55 -0.05 -0.40 -1.20 0.00 0.00 0.00 177.39 176.29 1uep n SER 98 N -1.33 0.36 -1.16 1.96 7.64 -1.26 -4.95 113.62 114.87 1uep n SER 98 Ca 0.00 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1uep n SER 98 Cb 0.00 -1.84 0.00 0.00 -1.01 0.00 0.00 64.21 61.36 1uep n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uep n GLY 99 N -2.31 5.56 3.68 0.23 0.00 -1.26 -5.13 105.19 105.96 1uep n GLY 99 Ca -0.27 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.31 1uep n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uep s PRO 100 N -0.70 1.11 0.29 1.61 0.04 -1.26 -5.05 135.00 131.04 1uep s PRO 100 Ca 0.00 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.41 1uep s PRO 100 Cb 0.00 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1uep s PRO 100 CO 0.00 -2.52 0.42 0.45 0.04 0.00 0.00 177.00 175.39 1uep n SER 101 N -4.14 -1.18 -3.87 6.66 2.88 -1.26 -5.15 113.62 107.57 1uep n SER 101 Ca 0.10 -2.51 -0.09 0.00 -1.33 0.00 0.00 58.87 55.05 1uep n SER 101 Cb 0.52 2.16 -0.07 0.00 -0.75 0.00 0.00 64.21 66.07 1uep n SER 101 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uep s SER 102 N -2.74 0.12 0.00 -3.46 0.15 -1.26 -5.31 113.70 101.19 1uep s SER 102 Ca 0.22 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1uep s SER 102 Cb -0.01 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1uep s SER 102 CO 0.16 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.47