#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rds s SER 2 N 0.00 5.63 -0.58 -1.84 1.04 -1.26 -4.99 113.70 111.70 1rds s SER 2 Ca 0.00 0.60 -0.26 0.00 0.48 0.00 0.00 55.95 56.77 1rds s SER 2 Cb 0.00 -1.64 0.04 0.00 0.10 0.00 0.00 66.02 64.52 1rds s SER 2 CO 0.00 -0.99 1.05 0.00 0.98 0.00 0.00 173.24 174.28 1rds h GLU 4 N 9.44 -0.45 -6.27 0.00 4.81 0.43 -3.38 114.58 119.16 1rds h GLU 4 Ca -0.26 0.03 -0.58 0.00 -0.13 0.00 0.00 59.36 58.42 1rds h GLU 4 Cb 1.07 0.10 -0.21 0.00 0.63 0.00 0.00 28.75 30.33 1rds h GLU 4 CO 1.14 -0.23 -0.83 0.71 -0.73 0.00 0.00 179.01 179.07 1rds s TYR 5 N -5.65 1.88 -0.24 0.92 1.51 -0.94 -4.31 117.35 110.53 1rds s TYR 5 Ca -0.15 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.51 1rds s TYR 5 Cb 0.04 -1.02 0.06 0.00 -0.11 0.00 0.00 41.96 40.92 1rds s TYR 5 CO 0.61 0.24 -0.09 0.99 -1.11 0.00 0.00 175.55 176.20 1rds s THR 6 N -1.23 1.83 -0.52 -0.71 2.01 0.14 -0.60 115.64 116.57 1rds s THR 6 Ca 0.09 -1.35 -0.17 0.00 0.31 0.00 0.00 61.69 60.57 1rds s THR 6 Cb -0.10 -1.98 0.09 0.00 0.01 0.00 0.00 72.50 70.53 1rds s THR 6 CO 0.05 -0.00 0.51 0.00 -0.69 0.00 0.00 174.62 174.48 1rds n GLY 8 N 5.23 1.79 0.67 0.00 0.00 -1.26 -0.23 105.19 111.37 1rds n GLY 8 Ca -0.12 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1rds n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rds n SER 9 N 10.99 2.53 -4.68 1.61 3.41 -1.26 -4.97 113.62 121.24 1rds n SER 9 Ca 0.00 -1.73 -0.39 0.00 -0.26 0.00 0.00 58.87 56.49 1rds n SER 9 Cb 0.00 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 1rds n SER 9 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rds s THR 10 N -1.16 5.13 -0.38 6.66 2.01 0.68 -5.04 115.64 123.54 1rds s THR 10 Ca 0.21 0.95 -0.24 0.00 0.31 0.00 0.00 61.69 62.91 1rds s THR 10 Cb 0.13 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.83 1rds s THR 10 CO 0.19 0.22 0.86 0.00 -0.69 0.00 0.00 174.62 175.19 1rds s TYR 12 N 3.32 2.96 0.50 0.00 2.02 0.23 -5.01 117.35 121.38 1rds s TYR 12 Ca 0.35 -0.49 -0.07 0.00 -0.37 0.00 0.00 57.07 56.48 1rds s TYR 12 Cb -0.12 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 1rds s TYR 12 CO 0.19 -0.18 0.84 -1.58 -1.57 0.00 0.00 175.55 173.25 1rds s TRP 13 N 0.59 3.56 0.44 2.71 0.51 -1.26 0.10 118.94 125.60 1rds s TRP 13 Ca -0.04 0.95 0.16 0.00 -2.12 0.00 0.00 56.10 55.06 1rds s TRP 13 Cb -0.15 -2.41 1.08 0.00 -0.81 0.00 0.00 33.47 31.18 1rds s TRP 13 CO 0.03 -0.34 1.94 0.77 -0.51 0.00 0.00 176.95 178.84 1rds h SER 14 N 0.27 0.34 0.41 2.95 0.02 -1.95 0.29 113.55 115.88 1rds h SER 14 Ca -0.46 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.36 1rds h SER 14 Cb 1.20 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1rds h SER 14 CO 0.62 0.18 -0.61 0.77 -1.14 0.00 0.00 176.83 176.66 1rds h SER 15 N 0.37 0.22 0.13 3.07 4.64 -1.94 -1.66 113.55 118.38 1rds h SER 15 Ca 0.34 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1rds h SER 15 Cb 0.80 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1rds h SER 15 CO -0.10 0.78 -0.06 0.44 -0.87 0.00 0.00 176.83 177.02 1rds h ASP 16 N 0.15 -0.15 0.02 4.97 3.32 -0.81 -1.50 116.42 122.42 1rds h ASP 16 Ca -0.01 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1rds h ASP 16 Cb 1.11 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 1rds h ASP 16 CO 0.09 0.14 -0.23 0.58 -1.72 0.00 0.00 179.24 178.11 1rds h VAL 17 N -0.44 0.48 -0.40 -1.35 2.07 -1.30 -1.31 116.25 114.00 1rds h VAL 17 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1rds h VAL 17 Cb 0.36 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1rds h VAL 17 CO 0.03 0.00 0.15 0.28 0.02 0.00 0.00 177.57 178.05 1rds h SER 18 N -0.37 0.17 -0.22 0.57 0.02 -1.32 0.22 113.55 112.62 1rds h SER 18 Ca 0.05 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1rds h SER 18 Cb 0.44 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1rds h SER 18 CO -0.19 0.13 -0.13 0.00 -1.14 0.00 0.00 176.83 175.50 1rds h ALA 19 N 1.25 1.12 0.19 3.77 0.00 -1.07 0.18 119.26 124.70 1rds h ALA 19 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rds h ALA 19 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rds h ALA 19 CO -0.18 0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 1rds h ALA 20 N 1.30 -0.26 -0.48 0.00 0.00 -0.33 -2.28 119.26 117.21 1rds h ALA 20 Ca 0.10 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1rds h ALA 20 Cb 0.56 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1rds h ALA 20 CO 0.04 -0.47 0.19 -0.22 0.00 0.00 0.00 179.25 178.78 1rds h LYS 21 N -0.61 0.36 -0.81 0.00 3.64 -0.50 -0.83 116.57 117.83 1rds h LYS 21 Ca -0.03 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1rds h LYS 21 Cb 0.45 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 1rds h LYS 21 CO 0.04 0.24 0.44 0.00 -2.27 0.00 0.00 179.45 177.91 1rds h ALA 22 N 1.31 1.16 0.08 5.00 0.00 -0.57 0.50 119.26 126.73 1rds h ALA 22 Ca 0.23 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rds h ALA 22 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rds h ALA 22 CO -0.22 0.04 -0.04 -0.22 0.00 0.00 0.00 179.25 178.81 1rds h LYS 23 N 0.73 -0.10 -0.38 0.00 1.63 -0.71 -1.90 116.57 115.84 1rds h LYS 23 Ca 0.40 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.28 1rds h LYS 23 Cb 0.42 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.00 1rds h LYS 23 CO -0.27 0.15 -0.06 0.78 -3.45 0.00 0.00 179.45 176.60 1rds h GLY 24 N -0.35 0.31 1.03 5.01 0.00 -0.81 -2.42 103.07 105.84 1rds h GLY 24 Ca -0.01 0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.31 1rds h GLY 24 CO 0.02 -0.13 -0.13 -1.82 0.00 0.00 0.00 176.54 174.48 1rds h TYR 25 N 0.03 0.99 -0.08 5.60 3.20 -0.90 -1.25 116.97 124.56 1rds h TYR 25 Ca 0.19 -0.22 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1rds h TYR 25 Cb 0.28 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1rds h TYR 25 CO -0.31 0.98 -0.17 0.66 -1.64 0.00 0.00 178.16 177.68 1rds h SER 26 N 0.71 0.12 -0.12 -2.11 4.64 -1.07 0.83 113.55 116.56 1rds h SER 26 Ca 0.11 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 1rds h SER 26 Cb 0.68 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1rds h SER 26 CO 0.05 0.31 -0.42 -0.07 -0.87 0.00 0.00 176.83 175.82 1rds h LEU 27 N 0.12 0.58 -0.06 5.97 3.38 -1.25 -2.88 115.31 121.16 1rds h LEU 27 Ca 0.02 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.41 1rds h LEU 27 Cb 0.38 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1rds h LEU 27 CO 0.02 1.09 -0.12 0.22 0.09 0.00 0.00 178.44 179.75 1rds h TYR 28 N 0.10 -0.30 -0.66 1.13 3.20 -0.62 -0.53 116.97 119.29 1rds h TYR 28 Ca -0.02 0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.99 1rds h TYR 28 Cb 1.05 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 1rds h TYR 28 CO 0.11 -0.18 0.44 1.49 -1.64 0.00 0.00 178.16 178.38 1rds h GLU 29 N -0.17 0.38 0.00 1.82 4.81 -0.90 -1.88 114.58 118.64 1rds h GLU 29 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1rds h GLU 29 Cb 0.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1rds h GLU 29 CO -0.16 0.25 -0.73 -1.13 -0.73 0.00 0.00 179.01 176.51 1rds n SER 30 N -4.47 0.64 0.00 1.04 3.41 -0.89 -4.94 113.62 108.41 1rds n SER 30 Ca 0.12 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1rds n SER 30 Cb 0.45 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1rds n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rds n GLY 31 N 1.46 0.52 3.83 5.00 0.00 -0.64 -5.05 105.19 110.30 1rds n GLY 31 Ca 0.04 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 1rds n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rds s ASP 32 N -2.82 5.46 0.06 1.61 1.01 -0.30 -5.02 116.67 116.67 1rds s ASP 32 Ca 0.00 -0.32 0.00 0.00 0.71 0.00 0.00 52.55 52.95 1rds s ASP 32 Cb 0.00 -1.29 -0.04 0.00 1.01 0.00 0.00 42.92 42.60 1rds s ASP 32 CO 0.00 -0.12 -0.04 0.42 0.21 0.00 0.00 175.17 175.64 1rds s THR 33 N -2.18 0.37 -0.27 -1.27 -4.23 -1.26 -4.21 115.64 102.59 1rds s THR 33 Ca 0.35 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1rds s THR 33 Cb -0.07 -1.31 0.08 0.00 1.34 0.00 0.00 72.50 72.54 1rds s THR 33 CO 0.25 -0.84 0.01 -0.63 -0.54 0.00 0.00 174.62 172.88 1rds s ILE 34 N -3.26 1.40 -1.53 2.99 1.01 0.80 -4.78 121.20 117.84 1rds s ILE 34 Ca 0.04 -1.39 -0.12 0.00 0.00 0.00 0.00 60.65 59.17 1rds s ILE 34 Cb 0.03 -1.84 0.08 0.00 0.01 0.00 0.00 42.46 40.74 1rds s ILE 34 CO -0.06 -0.34 0.88 0.47 0.00 0.00 0.00 174.94 175.89 1rds n ASP 35 N 4.68 -3.83 -0.39 3.58 8.00 -1.26 -1.14 116.55 126.19 1rds n ASP 35 Ca -0.07 -0.84 -0.05 0.00 0.71 0.00 0.00 54.79 54.55 1rds n ASP 35 Cb 0.43 -3.65 -0.02 0.00 -0.02 0.00 0.00 41.12 37.86 1rds n ASP 35 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rds n ASP 36 N -2.84 -3.32 -4.13 -2.24 2.03 -1.26 -5.01 116.55 99.78 1rds n ASP 36 Ca -0.02 0.10 -0.25 0.00 0.52 0.00 0.00 54.79 55.14 1rds n ASP 36 Cb 0.55 -1.49 -0.16 0.00 -0.72 0.00 0.00 41.12 39.30 1rds n ASP 36 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1rds s TYR 37 N -2.19 1.57 0.60 -0.67 2.02 -0.29 -3.87 117.35 114.54 1rds s TYR 37 Ca 0.00 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.14 1rds s TYR 37 Cb 0.00 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.48 1rds s TYR 37 CO 0.00 -0.11 1.09 -1.25 -1.57 0.00 0.00 175.55 173.71 1rds s PRO 38 N -0.11 3.16 0.11 -1.71 0.04 -1.26 -0.14 135.00 135.09 1rds s PRO 38 Ca 0.00 1.34 0.10 0.00 0.04 0.00 0.00 61.00 62.48 1rds s PRO 38 Cb -0.09 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1rds s PRO 38 CO 0.01 -0.96 -0.26 -1.58 0.04 0.00 0.00 177.00 174.25 1rds s HIS 39 N -2.29 2.27 0.42 0.56 2.46 -0.63 -4.92 115.29 113.15 1rds s HIS 39 Ca 0.66 -0.39 -0.25 0.00 0.47 0.00 0.00 55.06 55.55 1rds s HIS 39 Cb -0.19 -1.25 -0.08 0.00 -0.13 0.00 0.00 32.58 30.93 1rds s HIS 39 CO 0.36 0.29 1.21 -1.83 -2.47 0.00 0.00 174.74 172.30 1rds s GLU 40 N -1.88 3.95 -0.23 2.88 4.04 -1.26 -0.44 118.70 125.76 1rds s GLU 40 Ca 0.13 1.94 0.02 0.00 0.04 0.00 0.00 54.97 57.09 1rds s GLU 40 Cb -0.10 -2.65 0.05 0.00 0.02 0.00 0.00 34.13 31.45 1rds s GLU 40 CO 0.05 -0.43 -0.11 -0.47 -1.84 0.00 0.00 175.26 172.46 1rds s TYR 41 N -1.38 2.79 0.46 4.83 5.04 0.57 -4.75 117.35 124.91 1rds s TYR 41 Ca 0.58 -1.92 0.13 0.00 -2.44 0.00 0.00 57.07 53.43 1rds s TYR 41 Cb -0.33 -1.78 1.04 0.00 0.35 0.00 0.00 41.96 41.24 1rds s TYR 41 CO 0.41 -0.81 2.05 0.45 -1.34 0.00 0.00 175.55 176.31 1rds h HIS 42 N 7.89 0.12 -1.10 4.97 3.86 -1.94 -3.38 115.15 125.56 1rds h HIS 42 Ca -0.25 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.90 1rds h HIS 42 Cb 1.08 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 29.52 1rds h HIS 42 CO 0.55 0.17 -0.09 -3.47 0.86 0.00 0.00 177.93 175.95 1rds n ASP 43 N -4.42 -2.21 0.05 2.45 2.03 -1.26 -4.92 116.55 108.27 1rds n ASP 43 Ca -0.02 -0.04 0.04 0.00 0.52 0.00 0.00 54.79 55.29 1rds n ASP 43 Cb 0.17 -1.16 0.43 0.00 -0.72 0.00 0.00 41.12 39.84 1rds n ASP 43 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1rds h TYR 44 N -0.21 0.43 -0.44 -0.67 -0.00 -1.99 -0.88 116.97 113.20 1rds h TYR 44 Ca -0.08 -0.00 0.12 0.00 0.00 0.00 0.00 58.73 58.77 1rds h TYR 44 Cb 1.05 -0.14 -0.02 0.00 0.00 0.00 0.00 36.73 37.63 1rds h TYR 44 CO 0.08 0.32 0.31 0.93 -0.00 0.00 0.00 178.16 179.80 1rds h GLU 45 N 0.44 0.04 0.00 0.10 3.07 -1.94 -3.46 114.58 112.83 1rds h GLU 45 Ca 0.11 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1rds h GLU 45 Cb 0.05 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1rds h GLU 45 CO -0.02 0.02 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 1rds n GLY 46 N -1.61 1.11 3.74 -3.84 0.00 -0.34 -5.05 105.19 99.19 1rds n GLY 46 Ca 0.07 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1rds n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rds s PHE 47 N -2.00 3.00 -0.72 1.61 0.08 -1.26 -4.91 117.98 113.78 1rds s PHE 47 Ca 0.00 0.93 -0.15 0.00 0.12 0.00 0.00 56.93 57.83 1rds s PHE 47 Cb 0.00 -3.86 0.18 0.00 -0.57 0.00 0.00 43.02 38.76 1rds s PHE 47 CO 0.00 -2.89 0.69 0.16 -0.10 0.00 0.00 175.22 173.08 1rds s ASP 48 N 0.52 6.53 0.27 1.36 1.47 -1.26 -5.01 116.67 120.55 1rds s ASP 48 Ca 0.62 -2.28 -0.29 0.00 1.18 0.00 0.00 52.55 51.78 1rds s ASP 48 Cb -0.43 -2.22 -0.09 0.00 -0.34 0.00 0.00 42.92 39.83 1rds s ASP 48 CO 0.42 -0.73 0.96 -0.36 0.68 0.00 0.00 175.17 176.14 1rds s PHE 49 N 0.92 3.84 -0.98 2.11 0.08 -1.26 -4.97 117.98 117.72 1rds s PHE 49 Ca 0.13 1.85 0.13 0.00 0.12 0.00 0.00 56.93 59.17 1rds s PHE 49 Cb -0.17 -2.99 0.57 0.00 -0.57 0.00 0.00 43.02 39.85 1rds s PHE 49 CO -0.04 0.27 1.42 -0.35 -0.10 0.00 0.00 175.22 176.42 1rds n PRO 50 N 1.12 0.01 -4.47 0.24 -0.04 -1.26 -4.72 135.00 125.88 1rds n PRO 50 Ca -0.00 0.28 -0.24 0.00 -0.04 0.00 0.00 63.50 63.50 1rds n PRO 50 Cb 0.48 -1.51 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1rds n PRO 50 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rds s VAL 51 N -3.01 2.39 0.58 0.52 -7.23 -1.26 -5.11 120.40 107.28 1rds s VAL 51 Ca 0.06 -2.37 -0.09 0.00 -1.81 0.00 0.00 61.98 57.78 1rds s VAL 51 Cb 0.08 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 1rds s VAL 51 CO 0.24 -0.38 0.94 -0.94 -0.31 0.00 0.00 175.10 174.65 1rds s SER 52 N -3.51 6.06 1.02 4.85 1.04 -1.26 -5.00 113.70 116.90 1rds s SER 52 Ca 0.30 1.13 -0.12 0.00 0.48 0.00 0.00 55.95 57.75 1rds s SER 52 Cb -0.04 -2.23 0.16 0.00 0.10 0.00 0.00 66.02 64.01 1rds s SER 52 CO 0.15 -0.86 0.89 0.61 0.98 0.00 0.00 173.24 175.01 1rds n GLY 53 N -2.60 -1.55 3.82 7.32 0.00 -1.26 -4.77 105.19 106.15 1rds n GLY 53 Ca 0.04 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 1rds n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rds s THR 54 N -2.92 3.71 0.20 2.61 -4.23 -1.26 -4.89 115.64 108.86 1rds s THR 54 Ca 0.51 0.56 0.08 0.00 -1.18 0.00 0.00 61.69 61.66 1rds s THR 54 Cb -0.02 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1rds s THR 54 CO 0.36 -0.73 0.01 -0.31 -0.54 0.00 0.00 174.62 173.42 1rds s TYR 55 N -3.09 2.83 0.09 3.99 2.02 -1.26 -3.93 117.35 117.99 1rds s TYR 55 Ca 0.59 -0.16 0.06 0.00 -0.37 0.00 0.00 57.07 57.19 1rds s TYR 55 Cb -0.14 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1rds s TYR 55 CO 0.55 0.54 -0.16 0.71 -1.57 0.00 0.00 175.55 175.62 1rds s TYR 56 N -1.89 1.37 0.09 2.71 2.02 0.14 -0.31 117.35 121.47 1rds s TYR 56 Ca 0.29 -0.47 0.10 0.00 -0.37 0.00 0.00 57.07 56.62 1rds s TYR 56 Cb -0.08 -0.75 -0.03 0.00 -0.40 0.00 0.00 41.96 40.69 1rds s TYR 56 CO 0.19 0.10 -0.25 -1.83 -1.57 0.00 0.00 175.55 172.19 1rds s GLU 57 N -1.94 1.65 -0.07 -0.62 -1.05 0.41 -1.34 118.70 115.74 1rds s GLU 57 Ca 0.02 -1.21 -0.05 0.00 -0.15 0.00 0.00 54.97 53.57 1rds s GLU 57 Cb -0.09 -1.97 0.03 0.00 -0.44 0.00 0.00 34.13 31.65 1rds s GLU 57 CO 0.03 0.48 0.17 -0.47 0.95 0.00 0.00 175.26 176.43 1rds s TYR 58 N -0.96 -0.20 0.52 4.83 5.04 -0.70 -1.60 117.35 124.28 1rds s TYR 58 Ca 0.14 0.51 -0.23 0.00 -2.44 0.00 0.00 57.07 55.04 1rds s TYR 58 Cb -0.10 0.03 -0.06 0.00 0.35 0.00 0.00 41.96 42.18 1rds s TYR 58 CO 0.05 -0.13 1.38 -2.14 -1.34 0.00 0.00 175.55 173.37 1rds s PRO 59 N 0.52 3.31 -0.14 4.97 0.02 -1.26 -0.64 135.00 141.77 1rds s PRO 59 Ca -0.04 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.30 1rds s PRO 59 Cb -0.05 -2.38 0.02 0.00 0.02 0.00 0.00 34.50 32.11 1rds s PRO 59 CO -0.03 -1.08 -0.16 -1.50 -0.33 0.00 0.00 177.00 173.90 1rds s ILE 60 N -1.27 1.66 -0.12 2.83 2.07 -0.81 -4.50 121.20 121.07 1rds s ILE 60 Ca 0.68 -0.71 -0.14 0.00 -1.41 0.00 0.00 60.65 59.07 1rds s ILE 60 Cb -0.42 -1.53 -0.05 0.00 0.13 0.00 0.00 42.46 40.60 1rds s ILE 60 CO 0.51 0.47 0.33 -0.04 -1.91 0.00 0.00 174.94 174.30 1rds s MET 61 N 1.25 4.14 0.00 3.50 -1.94 -1.26 -4.28 119.30 120.72 1rds s MET 61 Ca 0.00 0.20 0.09 0.00 -1.71 0.00 0.00 55.69 54.28 1rds s MET 61 Cb -0.14 -3.37 0.43 0.00 2.01 0.00 0.00 34.83 33.76 1rds s MET 61 CO -0.08 0.35 1.25 -1.13 -0.01 0.00 0.00 175.02 175.41 1rds n SER 62 N 3.14 0.00 -0.40 3.03 3.41 -1.26 -0.73 113.62 120.81 1rds n SER 62 Ca -0.12 0.36 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 1rds n SER 62 Cb 0.52 -0.41 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1rds n SER 62 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1rds n ASP 63 N -1.41 1.72 -0.21 4.04 5.68 -1.26 -4.97 116.55 120.14 1rds n ASP 63 Ca 0.03 -1.33 -0.03 0.00 -0.50 0.00 0.00 54.79 52.97 1rds n ASP 63 Cb 0.10 0.44 -0.01 0.00 -1.14 0.00 0.00 41.12 40.51 1rds n ASP 63 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1rds n TYR 64 N -0.29 0.00 -3.59 2.11 4.01 0.09 -5.00 117.16 114.49 1rds n TYR 64 Ca 0.09 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.52 1rds n TYR 64 Cb 0.43 -0.99 -0.05 0.00 -0.31 0.00 0.00 39.34 38.42 1rds n TYR 64 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1rds s ASP 65 N -2.36 6.52 0.22 7.72 2.15 -1.26 -5.03 116.67 124.62 1rds s ASP 65 Ca 0.00 0.67 -0.30 0.00 0.43 0.00 0.00 52.55 53.35 1rds s ASP 65 Cb 0.00 -2.12 -0.08 0.00 -0.30 0.00 0.00 42.92 40.41 1rds s ASP 65 CO 0.00 0.00 1.08 -0.69 -0.17 0.00 0.00 175.17 175.39 1rds s VAL 66 N -1.73 3.78 0.25 1.11 1.01 -1.26 -4.30 120.40 119.26 1rds s VAL 66 Ca 0.43 1.64 -0.31 0.00 0.00 0.00 0.00 61.98 63.74 1rds s VAL 66 Cb -0.12 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.10 1rds s VAL 66 CO 0.24 0.33 1.64 -0.47 0.00 0.00 0.00 175.10 176.85 1rds s TYR 67 N -0.65 2.82 0.00 5.22 5.04 -1.26 -4.88 117.35 123.64 1rds s TYR 67 Ca 0.47 0.60 0.15 0.00 -2.44 0.00 0.00 57.07 55.85 1rds s TYR 67 Cb -0.30 -4.09 0.25 0.00 0.35 0.00 0.00 41.96 38.17 1rds s TYR 67 CO 0.36 -3.87 1.07 2.41 -1.34 0.00 0.00 175.55 174.19 1rds n THR 68 N 2.96 0.00 0.00 4.34 -1.04 -1.26 -5.01 114.28 114.27 1rds n THR 68 Ca 0.11 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1rds n THR 68 Cb 0.37 0.77 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 1rds n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rds n GLY 69 N 0.29 2.95 2.71 3.41 0.00 -1.26 -5.00 105.19 108.28 1rds n GLY 69 Ca -0.00 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1rds n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rds n GLY 70 N -0.72 -1.49 3.68 -0.02 0.00 -1.26 -4.89 105.19 100.49 1rds n GLY 70 Ca 0.00 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 1rds n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rds n SER 71 N 0.07 4.02 0.13 1.61 2.88 -1.26 -4.89 113.62 116.17 1rds n SER 71 Ca 0.00 0.97 0.12 0.00 -1.33 0.00 0.00 58.87 58.63 1rds n SER 71 Cb 0.00 -1.53 0.22 0.00 -0.75 0.00 0.00 64.21 62.15 1rds n SER 71 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1rds h PRO 72 N 8.93 0.00 0.00 -1.46 0.13 -1.99 -3.50 132.00 134.11 1rds h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1rds h PRO 72 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1rds h PRO 72 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 1rds n GLY 73 N 1.24 -1.53 0.03 1.56 0.00 -1.26 -4.42 105.19 100.81 1rds n GLY 73 Ca 0.04 -1.27 0.12 0.00 0.00 0.00 0.00 46.02 44.90 1rds n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rds n ALA 74 N 0.52 3.20 -2.65 4.61 0.00 -1.26 -4.96 120.51 119.97 1rds n ALA 74 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 1rds n ALA 74 Cb 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 1rds n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rds s ASP 75 N -3.59 4.89 -0.00 0.00 1.01 -1.26 -0.23 116.67 117.49 1rds s ASP 75 Ca 0.09 -0.15 -0.00 0.00 0.71 0.00 0.00 52.55 53.20 1rds s ASP 75 Cb 0.16 -1.17 0.00 0.00 1.01 0.00 0.00 42.92 42.92 1rds s ASP 75 CO 0.71 0.23 0.01 -0.13 0.21 0.00 0.00 175.17 176.19 1rds s ARG 76 N -1.88 0.01 -0.10 8.23 1.81 0.10 -1.91 118.95 125.21 1rds s ARG 76 Ca 0.21 0.01 -0.16 0.00 -1.72 0.00 0.00 55.73 54.08 1rds s ARG 76 Cb -0.11 0.01 -0.05 0.00 -0.45 0.00 0.00 34.95 34.35 1rds s ARG 76 CO 0.13 -0.00 0.39 0.54 -0.68 0.00 0.00 175.30 175.68 1rds s VAL 77 N -0.01 5.19 -0.16 3.52 0.11 0.18 -0.46 120.40 128.79 1rds s VAL 77 Ca -0.00 0.78 -0.02 0.00 -2.93 0.00 0.00 61.98 59.81 1rds s VAL 77 Cb -0.00 -3.72 -0.02 0.00 -1.53 0.00 0.00 36.38 31.11 1rds s VAL 77 CO 0.00 0.42 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.47 1rds s ILE 78 N 0.11 3.32 0.18 7.04 -1.09 0.16 -1.72 121.20 129.21 1rds s ILE 78 Ca 0.22 -0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1rds s ILE 78 Cb -0.15 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 1rds s ILE 78 CO 0.09 0.49 0.12 0.72 -1.23 0.00 0.00 174.94 175.13 1rds s PHE 79 N 0.62 1.04 0.52 3.97 -0.71 -0.45 -0.37 117.98 122.60 1rds s PHE 79 Ca -0.05 -1.31 0.03 0.00 -1.04 0.00 0.00 56.93 54.55 1rds s PHE 79 Cb -0.15 -0.51 0.03 0.00 -1.21 0.00 0.00 43.02 41.18 1rds s PHE 79 CO 0.03 -0.61 0.22 0.27 -1.34 0.00 0.00 175.22 173.78 1rds n ASN 80 N -0.22 3.03 0.00 1.98 0.23 -0.99 0.24 115.26 119.54 1rds n ASN 80 Ca -0.00 -3.02 0.09 0.00 -0.53 0.00 0.00 54.58 51.12 1rds n ASN 80 Cb 0.65 0.14 0.49 0.00 -2.08 0.00 0.00 39.78 38.98 1rds n ASN 80 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rds n GLY 81 N -1.28 -0.70 1.17 4.83 0.00 -1.25 -1.41 105.19 106.54 1rds n GLY 81 Ca -0.11 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.92 1rds n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rds n ASP 82 N -1.14 3.65 -1.04 1.61 8.00 -1.26 -4.94 116.55 121.43 1rds n ASP 82 Ca 0.11 -1.99 -0.09 0.00 0.71 0.00 0.00 54.79 53.53 1rds n ASP 82 Cb 0.10 -0.39 -0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1rds n ASP 82 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rds n ASP 83 N 1.40 -3.16 -4.90 -2.24 2.03 -0.50 -5.01 116.55 104.17 1rds n ASP 83 Ca 0.21 -0.01 -0.32 0.00 0.52 0.00 0.00 54.79 55.19 1rds n ASP 83 Cb 0.58 -2.44 -0.04 0.00 -0.72 0.00 0.00 41.12 38.50 1rds n ASP 83 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1rds s GLU 84 N -4.46 3.39 -0.00 -0.67 2.02 -1.26 -4.89 118.70 112.83 1rds s GLU 84 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 54.97 54.31 1rds s GLU 84 Cb -0.00 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1rds s GLU 84 CO 0.00 0.62 0.80 -1.17 0.02 0.00 0.00 175.26 175.53 1rds s LEU 85 N -2.34 4.39 -0.23 1.80 2.96 -1.26 -2.34 118.68 121.66 1rds s LEU 85 Ca 0.32 1.42 -0.04 0.00 -0.22 0.00 0.00 54.13 55.61 1rds s LEU 85 Cb -0.13 -3.27 -0.18 0.00 0.50 0.00 0.00 46.19 43.11 1rds s LEU 85 CO 0.25 -0.09 -0.10 0.00 -1.32 0.00 0.00 176.35 175.09 1rds n ALA 86 N 3.38 1.24 0.00 5.97 0.00 0.50 -4.68 120.51 126.92 1rds n ALA 86 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1rds n ALA 86 Cb 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1rds n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rds n GLY 87 N 1.99 -1.30 2.84 0.00 0.00 -1.07 -4.30 105.19 103.35 1rds n GLY 87 Ca -0.44 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.30 1rds n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rds s VAL 88 N -3.00 0.38 0.26 1.61 1.01 -1.26 0.41 120.40 119.80 1rds s VAL 88 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1rds s VAL 88 Cb 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 1rds s VAL 88 CO 0.00 0.21 0.03 0.27 0.00 0.00 0.00 175.10 175.61 1rds s ILE 89 N 1.21 0.97 -0.01 2.22 -4.36 0.40 -1.65 121.20 119.98 1rds s ILE 89 Ca -0.07 -2.02 -0.23 0.00 -0.26 0.00 0.00 60.65 58.07 1rds s ILE 89 Cb -0.14 -2.53 0.05 0.00 1.25 0.00 0.00 42.46 41.10 1rds s ILE 89 CO -0.02 -0.17 0.52 0.28 0.24 0.00 0.00 174.94 175.79 1rds s THR 90 N -3.46 0.03 -0.28 8.37 -1.32 -0.54 0.03 115.64 118.46 1rds s THR 90 Ca 0.33 -0.22 0.19 0.00 -1.21 0.00 0.00 61.69 60.77 1rds s THR 90 Cb 0.07 -0.89 0.18 0.00 -1.51 0.00 0.00 72.50 70.35 1rds s THR 90 CO 0.12 -0.12 1.51 0.45 -2.21 0.00 0.00 174.62 174.37 1rds h HIS 91 N 3.15 0.00 -2.05 9.09 3.86 -0.81 0.15 115.15 128.54 1rds h HIS 91 Ca -0.29 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.34 1rds h HIS 91 Cb 1.18 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.65 1rds h HIS 91 CO 0.41 0.28 1.40 2.41 0.86 0.00 0.00 177.93 183.29 1rds n THR 92 N -3.17 0.47 -0.22 2.45 -1.04 -1.26 0.27 114.28 111.79 1rds n THR 92 Ca 0.03 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1rds n THR 92 Cb 0.64 -2.42 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 1rds n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rds n GLY 93 N 5.39 0.62 3.69 3.41 0.00 -1.26 -4.68 105.19 112.36 1rds n GLY 93 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1rds n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rds s ALA 94 N -2.43 3.28 0.13 4.61 0.00 0.14 -4.96 121.76 122.53 1rds s ALA 94 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 51.96 50.38 1rds s ALA 94 Cb 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1rds s ALA 94 CO 0.00 0.49 1.63 1.03 0.00 0.00 0.00 175.76 178.92 1rds h SER 95 N 2.66 -0.76 0.00 0.00 0.87 -1.84 -3.47 113.55 111.02 1rds h SER 95 Ca -0.47 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1rds h SER 95 Cb 1.20 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1rds h SER 95 CO 0.59 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.19 1rds n GLY 96 N -1.37 2.27 0.93 5.77 0.00 -1.26 -4.95 105.19 106.59 1rds n GLY 96 Ca -0.04 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1rds n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rds n ASP 97 N 0.00 2.71 -4.92 1.61 8.00 -1.26 -4.89 116.55 117.81 1rds n ASP 97 Ca 0.00 -1.98 -0.26 0.00 0.71 0.00 0.00 54.79 53.25 1rds n ASP 97 Cb 0.00 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1rds n ASP 97 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1rds s ASP 98 N -1.05 6.19 0.23 -2.24 1.01 -1.26 -5.06 116.67 114.49 1rds s ASP 98 Ca 0.34 0.77 0.10 0.00 0.71 0.00 0.00 52.55 54.47 1rds s ASP 98 Cb 0.18 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.95 1rds s ASP 98 CO 0.24 -0.56 -0.18 -0.36 0.21 0.00 0.00 175.17 174.51 1rds s PHE 99 N -2.66 2.02 0.18 4.23 0.08 -1.26 -4.39 117.98 116.18 1rds s PHE 99 Ca 0.46 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 57.14 1rds s PHE 99 Cb -0.10 -0.92 -0.05 0.00 -0.57 0.00 0.00 43.02 41.39 1rds s PHE 99 CO 0.43 0.53 -0.13 0.14 -0.10 0.00 0.00 175.22 176.08 1rds s VAL 100 N -2.57 1.51 0.51 -0.44 -7.23 0.51 -4.95 120.40 107.74 1rds s VAL 100 Ca 0.25 -2.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 1rds s VAL 100 Cb -0.04 -1.93 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 1rds s VAL 100 CO 0.11 -0.63 0.92 0.00 -0.31 0.00 0.00 175.10 175.18 1rds s ALA 101 N -3.02 3.19 0.37 1.32 0.00 -1.26 -1.47 121.76 120.89 1rds s ALA 101 Ca 0.19 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 1rds s ALA 101 Cb 0.00 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 1rds s ALA 101 CO 0.04 -0.30 0.78 0.00 0.00 0.00 0.00 175.76 176.28 1rds s SER 103 N -2.57 5.37 0.00 0.00 1.04 -0.51 -4.82 113.70 112.22 1rds s SER 103 Ca 0.54 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1rds s SER 103 Cb -0.10 -0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.36 1rds s SER 103 CO 0.22 -1.04 0.10 -1.54 0.98 0.00 0.00 173.24 171.96 1rds n SER 104 N -2.16 0.00 -0.09 7.02 3.41 -1.26 0.28 113.62 120.83 1rds n SER 104 Ca 0.09 0.10 0.01 0.00 -0.26 0.00 0.00 58.87 58.81 1rds n SER 104 Cb 0.60 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.55 1rds n SER 104 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68