#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 1.74 1.02 1.61 0.15 -1.26 -5.06 113.70 111.91 1uep s SER 2 Ca 0.00 1.38 -0.13 0.00 0.70 0.00 0.00 55.95 57.91 1uep s SER 2 Cb 0.00 -2.11 0.20 0.00 -1.71 0.00 0.00 66.02 62.40 1uep s SER 2 CO 0.00 -3.71 1.10 -0.44 1.20 0.00 0.00 173.24 171.39 1uep s SER 3 N -2.95 2.48 0.00 5.45 0.01 -1.26 -5.03 113.70 112.40 1uep s SER 3 Ca 0.67 1.12 0.00 0.00 1.31 0.00 0.00 55.95 59.05 1uep s SER 3 Cb -0.22 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1uep s SER 3 CO 0.61 -3.22 0.00 0.61 0.41 0.00 0.00 173.24 171.66 1uep n GLY 4 N -1.12 -0.53 3.16 3.44 0.00 -1.26 -5.07 105.19 103.81 1uep n GLY 4 Ca 0.05 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.00 5.33 0.68 1.61 0.15 -1.26 -5.07 113.70 111.14 1uep s SER 5 Ca 0.00 -1.85 -0.14 0.00 0.70 0.00 0.00 55.95 54.66 1uep s SER 5 Cb 0.00 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1uep s SER 5 CO 0.00 -0.53 1.11 -0.44 1.20 0.00 0.00 173.24 174.57 1uep s SER 6 N 1.92 5.02 0.00 5.45 0.01 -1.26 -4.67 113.70 120.17 1uep s SER 6 Ca 0.06 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.28 1uep s SER 6 Cb -0.23 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1uep s SER 6 CO -0.02 -1.69 0.00 0.61 0.41 0.00 0.00 173.24 172.55 1uep n GLY 7 N -0.65 0.86 3.64 3.44 0.00 -1.26 -5.12 105.19 106.10 1uep n GLY 7 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1uep n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uep s TYR 8 N -1.21 2.42 -0.07 1.61 -0.85 -1.26 -0.86 117.35 117.14 1uep s TYR 8 Ca 0.00 -0.71 0.02 0.00 -0.52 0.00 0.00 57.07 55.86 1uep s TYR 8 Cb 0.00 -1.76 0.01 0.00 0.38 0.00 0.00 41.96 40.60 1uep s TYR 8 CO 0.00 0.41 -0.12 0.21 -1.52 0.00 0.00 175.55 174.54 1uep s LYS 9 N -3.74 1.67 0.29 -3.49 2.20 -0.51 -4.81 119.74 111.35 1uep s LYS 9 Ca 0.31 -0.40 -0.20 0.00 -0.36 0.00 0.00 55.97 55.31 1uep s LYS 9 Cb 0.09 -1.40 -0.09 0.00 -1.51 0.00 0.00 37.83 34.92 1uep s LYS 9 CO 0.16 0.01 0.80 -1.21 -0.36 0.00 0.00 175.35 174.75 1uep s GLU 10 N 0.72 4.28 -0.17 4.03 2.02 -1.26 -1.68 118.70 126.65 1uep s GLU 10 Ca -0.13 0.96 0.00 0.00 0.02 0.00 0.00 54.97 55.82 1uep s GLU 10 Cb -0.16 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.41 1uep s GLU 10 CO 0.03 0.28 -0.09 -0.51 0.02 0.00 0.00 175.26 174.98 1uep s LEU 11 N -2.32 1.81 -0.03 1.80 1.43 0.50 -4.95 118.68 116.93 1uep s LEU 11 Ca 0.49 -0.66 -0.26 0.00 -1.03 0.00 0.00 54.13 52.67 1uep s LEU 11 Cb -0.15 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1uep s LEU 11 CO 0.20 -0.13 0.82 1.51 0.23 0.00 0.00 176.35 178.97 1uep s ASP 12 N 1.53 7.16 -0.04 2.29 1.47 -1.26 -1.18 116.67 126.63 1uep s ASP 12 Ca 0.01 1.40 0.01 0.00 1.18 0.00 0.00 52.55 55.16 1uep s ASP 12 Cb -0.15 -2.48 0.02 0.00 -0.34 0.00 0.00 42.92 39.97 1uep s ASP 12 CO -0.09 -0.15 -0.06 -0.69 0.68 0.00 0.00 175.17 174.86 1uep s VAL 13 N 0.77 0.61 -0.12 2.11 1.01 0.05 -5.00 120.40 119.83 1uep s VAL 13 Ca 0.43 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1uep s VAL 13 Cb -0.19 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.59 1uep s VAL 13 CO 0.22 0.24 -0.12 -2.28 0.00 0.00 0.00 175.10 173.16 1uep s HIS 14 N 0.80 1.87 -0.15 5.22 5.04 -1.26 -0.47 115.29 126.33 1uep s HIS 14 Ca -0.12 -0.96 0.02 0.00 -1.54 0.00 0.00 55.06 52.47 1uep s HIS 14 Cb -0.14 -1.41 0.01 0.00 0.04 0.00 0.00 32.58 31.08 1uep s HIS 14 CO 0.01 -0.55 -0.21 -0.51 -2.34 0.00 0.00 174.74 171.14 1uep s LEU 15 N 1.36 2.15 0.66 8.88 1.43 -0.12 -5.00 118.68 128.04 1uep s LEU 15 Ca 0.01 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1uep s LEU 15 Cb -0.13 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 1uep s LEU 15 CO -0.07 0.05 1.06 0.00 0.23 0.00 0.00 176.35 177.62 1uep s ARG 16 N 0.97 3.09 -0.50 1.70 1.70 -1.26 -0.17 118.95 124.49 1uep s ARG 16 Ca -0.03 1.02 0.03 0.00 -0.47 0.00 0.00 55.73 56.29 1uep s ARG 16 Cb -0.15 -2.01 0.14 0.00 -0.57 0.00 0.00 34.95 32.36 1uep s ARG 16 CO -0.05 -0.98 0.28 0.50 -1.08 0.00 0.00 175.30 173.97 1uep s ARG 17 N -4.73 1.67 0.00 3.89 3.52 -0.04 -4.30 118.95 118.95 1uep s ARG 17 Ca 0.60 -2.40 0.00 0.00 -0.13 0.00 0.00 55.73 53.79 1uep s ARG 17 Cb -0.14 -2.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1uep s ARG 17 CO 0.49 -1.17 0.00 0.00 -0.81 0.00 0.00 175.30 173.81 1uep n MET 18 N 3.16 1.49 0.00 5.12 0.00 -1.26 -4.54 117.12 121.09 1uep n MET 18 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1uep n MET 18 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 33.22 33.44 1uep n MET 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1uep n GLU 19 N 0.00 0.00 -0.00 3.17 2.13 -1.26 -4.98 120.64 119.70 1uep n GLU 19 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1uep n GLU 19 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1uep n GLU 19 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1uep n SER 20 N -2.20 1.07 0.00 4.31 7.64 -1.26 -5.12 113.62 118.06 1uep n SER 20 Ca 0.00 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.84 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 0.04 -0.35 3.23 0.23 0.00 -1.26 -4.72 105.19 102.36 1uep n GLY 21 Ca 0.00 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 3.36 -0.21 1.61 0.08 -1.26 -4.73 117.98 116.83 1uep s PHE 22 Ca 0.00 -1.70 -0.01 0.00 0.12 0.00 0.00 56.93 55.33 1uep s PHE 22 Cb 0.00 -2.83 0.09 0.00 -0.57 0.00 0.00 43.02 39.71 1uep s PHE 22 CO 0.00 -0.85 2.22 0.41 -0.10 0.00 0.00 175.22 176.90 1uep n GLY 23 N 4.82 3.55 3.14 4.36 0.00 -1.26 -4.90 105.19 114.90 1uep n GLY 23 Ca -0.09 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.02 1.06 0.25 1.61 -0.12 -1.26 -0.98 117.98 117.51 1uep s PHE 24 Ca 0.27 -0.49 0.06 0.00 -0.05 0.00 0.00 56.93 56.72 1uep s PHE 24 Cb 0.19 -0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 41.95 1uep s PHE 24 CO -0.03 0.02 0.28 0.50 -0.05 0.00 0.00 175.22 175.94 1uep s ARG 25 N -1.80 3.16 -0.04 1.99 3.52 -1.04 -4.97 118.95 119.76 1uep s ARG 25 Ca -0.03 -0.92 -0.03 0.00 -0.13 0.00 0.00 55.73 54.61 1uep s ARG 25 Cb -0.09 -2.72 0.01 0.00 -1.56 0.00 0.00 34.95 30.60 1uep s ARG 25 CO 0.02 0.40 0.10 0.96 -0.81 0.00 0.00 175.30 175.97 1uep s ILE 26 N -2.07 -0.01 0.14 4.11 -4.36 -1.26 -1.19 121.20 116.57 1uep s ILE 26 Ca 0.34 0.03 -0.10 0.00 -0.26 0.00 0.00 60.65 60.66 1uep s ILE 26 Cb -0.08 -0.16 0.00 0.00 1.25 0.00 0.00 42.46 43.47 1uep s ILE 26 CO 0.27 0.01 0.29 -1.48 0.24 0.00 0.00 174.94 174.27 1uep s LEU 27 N 0.24 0.96 0.07 0.37 0.05 -1.26 -4.86 118.68 114.25 1uep s LEU 27 Ca -0.02 -0.71 0.00 0.00 0.05 0.00 0.00 54.13 53.45 1uep s LEU 27 Cb -0.03 1.30 0.00 0.00 -2.05 0.00 0.00 46.19 45.42 1uep s LEU 27 CO -0.01 -0.86 0.00 0.61 -0.55 0.00 0.00 176.35 175.55 1uep n GLY 28 N -0.18 -1.65 2.66 -3.48 0.00 -1.26 -4.01 105.19 97.27 1uep n GLY 28 Ca -0.11 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.05 -0.05 0.21 -0.02 0.00 -1.23 -2.94 105.19 99.12 1uep n GLY 29 Ca -0.00 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.22 0.00 -2.43 1.61 3.58 -1.91 -1.35 116.42 114.70 1uep h ASP 30 Ca -0.35 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.53 1uep h ASP 30 Cb 1.23 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.14 1uep h ASP 30 CO 0.36 0.28 -0.75 -1.61 -2.88 0.00 0.00 179.24 174.65 1uep s GLU 31 N -3.93 1.61 -0.59 0.28 0.41 -1.26 -4.97 118.70 110.25 1uep s GLU 31 Ca -0.01 -1.74 -0.06 0.00 -0.41 0.00 0.00 54.97 52.74 1uep s GLU 31 Cb 0.12 -1.60 -0.08 0.00 -1.78 0.00 0.00 34.13 30.79 1uep s GLU 31 CO 0.66 0.27 3.07 -0.35 -0.49 0.00 0.00 175.26 178.42 1uep n PRO 32 N -0.58 2.78 0.00 0.39 -0.04 -1.26 -3.37 135.00 132.92 1uep n PRO 32 Ca -0.06 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1uep n PRO 32 Cb 0.60 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 1uep n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uep n GLY 33 N 2.03 -1.45 3.18 0.55 0.00 -1.26 -4.75 105.19 103.49 1uep n GLY 33 Ca 0.53 0.65 -0.11 0.00 0.00 0.00 0.00 46.02 47.10 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 0.00 0.90 0.12 1.61 -1.52 -1.22 -5.05 119.66 114.50 1uep s GLN 34 Ca 0.00 -1.39 -0.30 0.00 -1.95 0.00 0.00 55.36 51.72 1uep s GLN 34 Cb 0.00 -0.15 -0.07 0.00 -0.22 0.00 0.00 33.01 32.57 1uep s GLN 34 CO 0.00 -0.08 1.21 -1.25 -0.25 0.00 0.00 175.29 174.92 1uep s PRO 35 N -3.88 4.46 -0.44 2.91 0.04 -1.26 -4.58 135.00 132.25 1uep s PRO 35 Ca 0.16 1.83 -0.15 0.00 0.04 0.00 0.00 61.00 62.87 1uep s PRO 35 Cb 0.06 -3.29 0.04 0.00 0.04 0.00 0.00 34.50 31.35 1uep s PRO 35 CO -0.02 -0.18 0.35 0.42 0.04 0.00 0.00 177.00 177.61 1uep s ILE 36 N 0.55 5.23 0.05 0.56 1.01 -1.26 -3.57 121.20 123.78 1uep s ILE 36 Ca 0.56 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 1uep s ILE 36 Cb -0.31 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1uep s ILE 36 CO 0.32 -0.43 0.21 -0.76 0.00 0.00 0.00 174.94 174.28 1uep s LEU 37 N 1.72 4.36 -0.26 2.97 1.43 -1.26 -0.36 118.68 127.28 1uep s LEU 37 Ca 0.05 0.28 -0.38 0.00 -1.03 0.00 0.00 54.13 53.05 1uep s LEU 37 Cb -0.21 -2.93 -0.14 0.00 0.03 0.00 0.00 46.19 42.94 1uep s LEU 37 CO 0.09 0.18 1.85 -0.38 0.23 0.00 0.00 176.35 178.32 1uep n ILE 38 N 0.35 0.34 0.00 -0.59 2.08 0.67 -3.98 119.36 118.22 1uep n ILE 38 Ca -0.06 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.16 1uep n ILE 38 Cb 0.51 -1.39 0.00 0.00 -0.75 0.00 0.00 39.64 38.01 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 4.68 -1.17 3.21 7.39 0.00 -0.33 -1.26 105.19 117.72 1uep n GLY 39 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.02 -1.28 0.42 4.61 0.00 -1.25 -4.23 121.76 117.01 1uep s ALA 40 Ca 0.00 1.46 -0.22 0.00 0.00 0.00 0.00 51.96 53.21 1uep s ALA 40 Cb 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 23.12 21.52 1uep s ALA 40 CO 0.00 -0.92 0.95 0.14 0.00 0.00 0.00 175.76 175.93 1uep s VAL 41 N 2.64 4.37 -0.54 0.00 -7.23 -1.26 -2.51 120.40 115.87 1uep s VAL 41 Ca 0.03 1.53 -0.28 0.00 -1.81 0.00 0.00 61.98 61.45 1uep s VAL 41 Cb -0.13 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.19 1uep s VAL 41 CO -0.14 -0.26 1.14 -0.63 -0.31 0.00 0.00 175.10 174.90 1uep s ILE 42 N -2.11 4.13 0.51 -0.62 -1.09 -0.15 -4.97 121.20 116.90 1uep s ILE 42 Ca 0.60 0.95 -0.22 0.00 -2.23 0.00 0.00 60.65 59.76 1uep s ILE 42 Cb -0.10 -4.66 -0.08 0.00 -1.58 0.00 0.00 42.46 36.04 1uep s ILE 42 CO 0.14 -1.19 1.01 0.00 -1.23 0.00 0.00 174.94 173.67 1uep n ALA 43 N 8.10 0.30 0.00 9.38 0.00 -1.26 -1.18 120.51 135.85 1uep n ALA 43 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1uep n ALA 43 Cb 0.49 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.38 0.00 -1.46 0.00 2.81 -1.26 -4.96 117.12 111.88 1uep n MET 44 Ca 0.11 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.71 1uep n MET 44 Cb 0.43 -3.46 0.14 0.00 -0.71 0.00 0.00 33.22 29.62 1uep n MET 44 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1uep s GLY 45 N -1.91 1.58 0.61 3.03 0.00 -0.32 -4.67 107.32 105.63 1uep s GLY 45 Ca 0.00 -0.46 0.35 0.00 0.00 0.00 0.00 44.72 44.62 1uep s GLY 45 CO 0.00 0.10 2.28 0.23 0.00 0.00 0.00 173.10 175.71 1uep h SER 46 N -1.54 0.00 -0.02 1.64 0.87 -1.85 -0.32 113.55 112.33 1uep h SER 46 Ca -0.51 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.93 1uep h SER 46 Cb 1.33 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1uep h SER 46 CO 0.61 0.01 -0.46 0.00 -0.53 0.00 0.00 176.83 176.46 1uep h ALA 47 N 1.99 0.09 0.15 6.23 0.00 -1.83 -1.42 119.26 124.46 1uep h ALA 47 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1uep h ALA 47 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uep h ALA 47 CO 0.00 0.27 -0.07 0.22 0.00 0.00 0.00 179.25 179.67 1uep h ASP 48 N -0.18 -0.17 -0.22 0.00 3.58 -1.54 -2.80 116.42 115.10 1uep h ASP 48 Ca -0.05 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 1uep h ASP 48 Cb 1.17 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 1uep h ASP 48 CO 0.09 -0.11 -0.02 0.08 -2.88 0.00 0.00 179.24 176.40 1uep h ARG 49 N -0.20 0.53 0.00 0.28 0.11 -1.17 -2.19 114.38 111.74 1uep h ARG 49 Ca -0.02 -0.12 -0.02 0.00 0.10 0.00 0.00 59.98 59.92 1uep h ARG 49 Cb 0.16 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 1uep h ARG 49 CO 0.03 0.57 -0.08 0.22 0.10 0.00 0.00 179.97 180.81 1uep h ASP 50 N 0.50 0.00 -0.08 0.08 3.58 -1.04 -3.47 116.42 116.00 1uep h ASP 50 Ca 0.11 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1uep h ASP 50 Cb 0.36 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 1uep h ASP 50 CO 0.01 0.08 -0.02 0.61 -2.88 0.00 0.00 179.24 177.05 1uep n GLY 51 N -1.27 0.36 0.00 -0.78 0.00 -0.83 -4.90 105.19 97.78 1uep n GLY 51 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1uep n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uep n ARG 52 N -1.38 4.45 -3.36 1.61 1.74 -1.26 -5.05 116.66 113.40 1uep n ARG 52 Ca -0.01 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 1uep n ARG 52 Cb 0.42 -0.51 -0.06 0.00 -1.02 0.00 0.00 32.46 31.30 1uep n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uep s LEU 53 N -0.46 4.22 0.09 0.55 1.43 -1.26 -5.00 118.68 118.24 1uep s LEU 53 Ca 0.00 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1uep s LEU 53 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1uep s LEU 53 CO 0.00 -0.03 -0.07 -1.00 0.23 0.00 0.00 176.35 175.48 1uep s HIS 54 N -1.71 0.88 0.58 0.29 3.76 -1.26 -4.81 115.29 113.01 1uep s HIS 54 Ca 0.45 -0.78 -0.19 0.00 -0.15 0.00 0.00 55.06 54.39 1uep s HIS 54 Cb -0.12 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 1uep s HIS 54 CO 0.20 -0.11 1.20 -1.25 -0.85 0.00 0.00 174.74 173.94 1uep s PRO 55 N -3.17 3.06 0.00 8.40 0.04 -1.26 -2.84 135.00 139.24 1uep s PRO 55 Ca 0.06 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1uep s PRO 55 Cb 0.01 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1uep s PRO 55 CO -0.03 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1uep n GLY 56 N 0.48 1.50 3.75 0.56 0.00 -0.38 -5.00 105.19 106.09 1uep n GLY 56 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.24 6.74 -0.10 1.61 1.01 -1.13 -4.76 116.67 116.79 1uep s ASP 57 Ca 0.00 2.63 -0.25 0.00 0.71 0.00 0.00 52.55 55.65 1uep s ASP 57 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1uep s ASP 57 CO 0.00 -0.61 0.77 -0.70 0.21 0.00 0.00 175.17 174.84 1uep s GLU 58 N -0.88 4.39 0.51 8.23 2.12 -1.14 -0.24 118.70 131.69 1uep s GLU 58 Ca 0.55 0.96 -0.17 0.00 0.36 0.00 0.00 54.97 56.67 1uep s GLU 58 Cb -0.40 -3.50 -0.08 0.00 0.26 0.00 0.00 34.13 30.41 1uep s GLU 58 CO 0.46 -0.10 0.99 -0.51 -0.54 0.00 0.00 175.26 175.56 1uep s LEU 59 N 1.36 3.67 0.00 2.70 1.43 0.51 -0.21 118.68 128.14 1uep s LEU 59 Ca 0.39 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1uep s LEU 59 Cb -0.18 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.53 1uep s LEU 59 CO 0.17 -0.63 0.00 0.52 0.23 0.00 0.00 176.35 176.64 1uep n VAL 60 N -1.46 0.00 -3.98 -1.59 0.31 0.22 -4.64 118.33 107.19 1uep n VAL 60 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.30 1uep n VAL 60 Cb 0.54 -0.68 -0.12 0.00 -0.91 0.00 0.00 33.84 32.68 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 -1.80 0.28 -0.09 3.52 1.51 -0.93 -1.06 117.35 118.78 1uep s TYR 61 Ca 0.00 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1uep s TYR 61 Cb 0.00 -0.19 0.04 0.00 -0.11 0.00 0.00 41.96 41.70 1uep s TYR 61 CO 0.00 -0.15 0.21 0.08 -1.11 0.00 0.00 175.55 174.58 1uep s VAL 62 N -1.22 -0.04 -0.84 0.71 1.01 0.17 -0.85 120.40 119.34 1uep s VAL 62 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1uep s VAL 62 Cb -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1uep s VAL 62 CO -0.01 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.48 1uep n ASP 63 N 4.06 -5.63 0.00 3.32 2.03 0.25 -0.26 116.55 120.32 1uep n ASP 63 Ca -0.24 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1uep n ASP 63 Cb 0.53 -3.82 0.00 0.00 -0.72 0.00 0.00 41.12 37.11 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 0.22 0.88 3.67 0.27 0.00 -1.25 -4.83 105.19 104.15 1uep n GLY 64 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.49 4.71 -0.10 -0.61 -1.09 0.64 -4.99 121.20 117.27 1uep s ILE 65 Ca 0.00 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.05 1uep s ILE 65 Cb 0.00 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1uep s ILE 65 CO 0.00 0.52 1.42 -2.16 -1.23 0.00 0.00 174.94 173.50 1uep s PRO 66 N -0.16 4.22 0.00 2.79 0.04 -1.26 -0.65 135.00 139.98 1uep s PRO 66 Ca 0.07 1.90 0.31 0.00 0.04 0.00 0.00 61.00 63.31 1uep s PRO 66 Cb -0.12 -3.81 1.62 0.00 0.04 0.00 0.00 34.50 32.23 1uep s PRO 66 CO 0.01 -0.73 2.08 1.33 0.04 0.00 0.00 177.00 179.74 1uep n VAL 67 N 5.28 0.00 -1.69 -0.36 0.24 -0.23 -4.85 118.33 116.73 1uep n VAL 67 Ca 0.15 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 61.99 1uep n VAL 67 Cb 0.44 -0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.43 1uep n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uep n ALA 68 N -0.97 2.17 -0.23 2.33 0.00 -1.25 -1.38 120.51 121.18 1uep n ALA 68 Ca 0.19 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1uep n ALA 68 Cb 0.19 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.05 1uep n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uep n GLY 69 N 4.24 1.51 3.93 0.00 0.00 -1.26 -4.99 105.19 108.62 1uep n GLY 69 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1uep n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uep s LYS 70 N -0.11 1.44 0.49 1.61 -0.14 -0.48 -4.06 119.74 118.50 1uep s LYS 70 Ca 0.00 -0.35 0.06 0.00 -1.36 0.00 0.00 55.97 54.31 1uep s LYS 70 Cb 0.00 -2.01 0.00 0.00 -1.68 0.00 0.00 37.83 34.14 1uep s LYS 70 CO 0.00 -1.83 0.29 0.95 -0.76 0.00 0.00 175.35 174.01 1uep s THR 71 N -3.57 1.86 0.11 2.17 -4.23 -1.26 -4.62 115.64 106.10 1uep s THR 71 Ca 0.67 -1.59 -0.21 0.00 -1.18 0.00 0.00 61.69 59.38 1uep s THR 71 Cb -0.07 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 1uep s THR 71 CO 0.49 0.00 1.29 1.57 -0.54 0.00 0.00 174.62 177.43 1uep n HIS 72 N -1.55 -0.29 -0.10 3.99 -0.00 -0.51 -2.12 115.22 114.64 1uep n HIS 72 Ca -0.03 0.83 0.11 0.00 -0.00 0.00 0.00 57.72 58.63 1uep n HIS 72 Cb 0.64 -0.54 0.48 0.00 -0.00 0.00 0.00 29.99 30.57 1uep n HIS 72 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1uep h ARG 73 N 0.00 0.45 -0.60 1.57 2.43 -1.89 0.44 114.38 116.76 1uep h ARG 73 Ca 0.11 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1uep h ARG 73 Cb 0.27 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1uep h ARG 73 CO -0.62 0.30 0.36 -0.92 -1.51 0.00 0.00 179.97 177.57 1uep h TYR 74 N 0.46 0.66 -0.02 2.20 3.20 -1.82 -0.93 116.97 120.73 1uep h TYR 74 Ca 0.29 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 62.02 1uep h TYR 74 Cb 0.52 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1uep h TYR 74 CO -0.00 0.36 -0.72 0.28 -1.64 0.00 0.00 178.16 176.44 1uep h VAL 75 N 0.69 1.46 -0.81 1.81 2.07 -0.85 -1.98 116.25 118.64 1uep h VAL 75 Ca 0.25 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 1uep h VAL 75 Cb 0.07 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1uep h VAL 75 CO -0.12 0.68 0.49 0.40 0.02 0.00 0.00 177.57 179.03 1uep h ILE 76 N 0.09 1.23 0.08 4.57 1.08 -0.88 0.63 117.51 124.31 1uep h ILE 76 Ca -0.02 -0.50 0.01 0.00 -0.39 0.00 0.00 64.86 63.96 1uep h ILE 76 Cb 1.28 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 1uep h ILE 76 CO 0.10 0.24 -0.12 0.44 -0.69 0.00 0.00 178.15 178.12 1uep h ASP 77 N 1.11 -0.34 -0.04 1.72 5.19 -1.10 -3.08 116.42 119.89 1uep h ASP 77 Ca 0.29 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.76 1uep h ASP 77 Cb -0.04 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 1uep h ASP 77 CO -0.05 -0.18 -0.10 -0.07 -3.12 0.00 0.00 179.24 175.71 1uep h LEU 78 N -0.25 -0.29 -2.55 1.55 -0.00 -0.68 -1.91 115.31 111.17 1uep h LEU 78 Ca 0.02 0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1uep h LEU 78 Cb 0.26 0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1uep h LEU 78 CO -0.07 -0.14 -0.02 0.24 -0.00 0.00 0.00 178.44 178.46 1uep h MET 79 N -0.15 0.00 0.03 1.13 2.86 -0.94 0.13 114.93 117.99 1uep h MET 79 Ca 0.05 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.47 1uep h MET 79 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1uep h MET 79 CO -0.13 0.02 -0.98 0.45 1.06 0.00 0.00 176.91 177.33 1uep h HIS 80 N 0.00 0.27 -0.16 -0.22 3.86 -1.26 -2.29 115.15 115.34 1uep h HIS 80 Ca -0.00 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1uep h HIS 80 Cb 0.11 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1uep h HIS 80 CO 0.00 1.04 -0.00 0.45 0.86 0.00 0.00 177.93 180.28 1uep h HIS 81 N 0.08 0.31 -0.81 2.45 -0.00 -0.59 -3.25 115.15 113.34 1uep h HIS 81 Ca -0.06 -0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.34 1uep h HIS 81 Cb 1.66 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 28.93 1uep h HIS 81 CO 0.03 0.50 0.53 0.00 -0.00 0.00 0.00 177.93 178.99 1uep h ALA 82 N 0.77 1.69 -0.16 2.45 0.00 -0.85 0.12 119.26 123.27 1uep h ALA 82 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1uep h ALA 82 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1uep h ALA 82 CO 0.01 0.16 -0.19 0.00 0.00 0.00 0.00 179.25 179.23 1uep h ALA 83 N 1.58 1.38 -0.01 0.00 0.00 -1.46 0.27 119.26 121.03 1uep h ALA 83 Ca 0.36 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uep h ALA 83 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1uep h ALA 83 CO -0.14 0.42 -0.00 0.00 0.00 0.00 0.00 179.25 179.53 1uep h ARG 84 N 0.25 0.01 -0.03 0.00 3.08 -0.89 -2.98 114.38 113.82 1uep h ARG 84 Ca 0.05 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1uep h ARG 84 Cb 0.49 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1uep h ARG 84 CO 0.03 0.44 0.29 -0.91 -1.07 0.00 0.00 179.97 178.76 1uep h ASN 85 N -0.42 0.00 -0.11 7.04 2.35 -0.69 -3.45 115.58 120.30 1uep h ASN 85 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1uep h ASN 85 Cb 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1uep h ASN 85 CO 0.00 0.00 -0.04 0.61 -1.65 0.00 0.00 177.43 176.35 1uep n GLY 86 N -1.23 0.50 3.61 2.83 0.00 0.05 -4.94 105.19 106.02 1uep n GLY 86 Ca -0.01 -0.98 0.03 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.39 0.23 -0.01 1.61 -2.07 -1.02 -0.86 119.66 115.16 1uep s GLN 87 Ca 0.00 -0.13 -0.11 0.00 -1.82 0.00 0.00 55.36 53.30 1uep s GLN 87 Cb 0.00 0.08 0.01 0.00 -1.09 0.00 0.00 33.01 32.01 1uep s GLN 87 CO 0.00 -0.11 0.22 0.54 -1.32 0.00 0.00 175.29 174.63 1uep s VAL 88 N -2.23 0.07 -0.11 3.63 0.11 0.76 -4.45 120.40 118.19 1uep s VAL 88 Ca 0.15 -0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 58.60 1uep s VAL 88 Cb 0.06 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 1uep s VAL 88 CO -0.05 -0.32 -0.01 0.20 -3.33 0.00 0.00 175.10 171.59 1uep s ASN 89 N -1.35 5.14 -0.22 3.54 0.01 -1.26 -0.95 114.94 119.85 1uep s ASN 89 Ca -0.14 0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.05 1uep s ASN 89 Cb -0.06 -1.55 0.07 0.00 0.41 0.00 0.00 41.25 40.12 1uep s ASN 89 CO 0.03 0.32 0.07 -0.76 -1.51 0.00 0.00 177.10 175.25 1uep s LEU 90 N -0.54 1.02 -0.40 0.60 1.43 0.38 -0.58 118.68 120.59 1uep s LEU 90 Ca 0.09 -0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 52.05 1uep s LEU 90 Cb -0.12 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.61 1uep s LEU 90 CO 0.02 -0.36 0.41 -0.89 0.23 0.00 0.00 176.35 175.76 1uep s THR 91 N 1.93 5.12 0.49 5.49 2.01 -0.03 -0.77 115.64 129.89 1uep s THR 91 Ca 0.03 -0.27 0.08 0.00 0.31 0.00 0.00 61.69 61.84 1uep s THR 91 Cb -0.17 -3.97 0.04 0.00 0.01 0.00 0.00 72.50 68.41 1uep s THR 91 CO -0.16 -0.33 0.67 0.68 -0.69 0.00 0.00 174.62 174.79 1uep s VAL 92 N 2.07 2.64 0.18 3.82 -7.23 -0.32 -0.61 120.40 120.94 1uep s VAL 92 Ca 0.11 -0.98 -0.13 0.00 -1.81 0.00 0.00 61.98 59.17 1uep s VAL 92 Cb -0.17 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.12 1uep s VAL 92 CO 0.13 0.00 0.39 0.00 -0.31 0.00 0.00 175.10 175.31 1uep s ARG 93 N -4.50 1.26 -0.08 4.82 1.70 0.71 -0.37 118.95 122.49 1uep s ARG 93 Ca 0.58 -1.02 -0.19 0.00 -0.47 0.00 0.00 55.73 54.62 1uep s ARG 93 Cb -0.08 0.44 0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1uep s ARG 93 CO 0.36 -0.50 0.45 1.03 -1.08 0.00 0.00 175.30 175.56 1uep s ARG 94 N -3.92 0.72 0.48 3.89 3.00 -0.67 -2.89 118.95 119.55 1uep s ARG 94 Ca 0.13 0.19 -0.24 0.00 0.00 0.00 0.00 55.73 55.81 1uep s ARG 94 Cb 0.01 0.34 -0.08 0.00 0.00 0.00 0.00 34.95 35.22 1uep s ARG 94 CO -0.02 -0.18 1.31 1.17 0.00 0.00 0.00 175.30 177.58 1uep n LYS 95 N 1.69 1.86 -3.77 3.54 0.00 -1.26 -1.42 118.16 118.80 1uep n LYS 95 Ca -0.18 0.67 -0.30 0.00 0.00 0.00 0.00 58.31 58.50 1uep n LYS 95 Cb 0.56 -2.48 -0.04 0.00 0.00 0.00 0.00 35.03 33.08 1uep n LYS 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1uep s VAL 96 N -1.25 5.25 -0.04 3.15 1.01 -0.04 -4.83 120.40 123.66 1uep s VAL 96 Ca 0.65 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 1uep s VAL 96 Cb -0.46 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1uep s VAL 96 CO 0.55 0.00 0.01 -0.76 0.00 0.00 0.00 175.10 174.90 1uep s LEU 97 N -2.83 0.98 -0.43 3.92 2.01 -1.26 -4.88 118.68 116.19 1uep s LEU 97 Ca 0.38 -0.02 0.05 0.00 0.01 0.00 0.00 54.13 54.55 1uep s LEU 97 Cb -0.12 -0.24 0.19 0.00 0.01 0.00 0.00 46.19 46.02 1uep s LEU 97 CO 0.27 -0.13 0.74 -0.44 1.01 0.00 0.00 176.35 177.80 1uep s SER 98 N 1.27 -1.29 -0.31 2.29 0.01 -1.26 -5.12 113.70 109.28 1uep s SER 98 Ca -0.06 -1.00 0.03 0.00 1.31 0.00 0.00 55.95 56.23 1uep s SER 98 Cb -0.13 1.67 0.17 0.00 0.21 0.00 0.00 66.02 67.94 1uep s SER 98 CO -0.02 -0.11 0.46 -0.83 0.41 0.00 0.00 173.24 173.15 1uep s GLY 99 N 1.48 -0.71 0.15 3.44 0.00 -1.26 -5.14 107.32 105.29 1uep s GLY 99 Ca 0.21 0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.87 1uep s GLY 99 CO -0.07 3.19 1.37 2.56 0.00 0.00 0.00 173.10 180.15 1uep s PRO 100 N 2.42 4.34 -0.16 2.90 0.04 -1.26 -4.55 135.00 138.73 1uep s PRO 100 Ca 0.11 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 1uep s PRO 100 Cb -0.11 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.25 1uep s PRO 100 CO -0.25 -0.38 0.22 0.43 0.04 0.00 0.00 177.00 177.06 1uep n SER 101 N 3.41 -1.26 -3.95 6.66 7.64 -1.26 -5.12 113.62 119.74 1uep n SER 101 Ca 0.09 1.36 -0.09 0.00 1.01 0.00 0.00 58.87 61.24 1uep n SER 101 Cb 0.42 -5.14 -0.06 0.00 -1.01 0.00 0.00 64.21 58.43 1uep n SER 101 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uep s SER 102 N -0.64 -0.06 0.00 6.43 1.04 -1.26 -5.27 113.70 113.94 1uep s SER 102 Ca -0.26 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1uep s SER 102 Cb 0.02 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1uep s SER 102 CO 0.69 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.49