#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmo s VAL 2 N 0.00 3.86 0.19 1.12 0.11 -1.26 -0.46 120.40 123.95 1xmo s VAL 2 Ca 0.00 1.83 0.03 0.00 -2.93 0.00 0.00 61.98 60.90 1xmo s VAL 2 Cb 0.00 -4.14 -0.05 0.00 -1.53 0.00 0.00 36.38 30.66 1xmo s VAL 2 CO 0.00 0.40 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.61 1xmo s LYS 3 N -1.40 1.19 -0.33 1.54 1.02 0.51 -1.73 119.74 120.54 1xmo s LYS 3 Ca 0.44 -1.58 -0.05 0.00 0.02 0.00 0.00 55.97 54.80 1xmo s LYS 3 Cb -0.27 -0.46 0.04 0.00 -0.52 0.00 0.00 37.83 36.62 1xmo s LYS 3 CO 0.34 -0.09 0.08 0.42 -0.92 0.00 0.00 175.35 175.19 1xmo s ILE 4 N -3.51 3.59 0.10 2.17 1.01 -0.95 0.10 121.20 123.71 1xmo s ILE 4 Ca 0.24 -1.18 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1xmo s ILE 4 Cb 0.05 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1xmo s ILE 4 CO 0.05 -0.15 0.08 -2.11 0.00 0.00 0.00 174.94 172.81 1xmo n ARG 5 N 4.77 0.15 -3.64 2.79 1.85 -0.20 -1.84 116.66 120.54 1xmo n ARG 5 Ca -0.13 -0.98 -0.38 0.00 -1.00 0.00 0.00 57.85 55.36 1xmo n ARG 5 Cb 0.44 0.79 -0.11 0.00 -1.05 0.00 0.00 32.46 32.53 1xmo n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xmo s LEU 6 N 0.00 3.93 -0.31 2.89 1.02 -1.26 -0.37 118.68 124.57 1xmo s LEU 6 Ca 0.11 -0.17 -0.12 0.00 0.02 0.00 0.00 54.13 53.98 1xmo s LEU 6 Cb 0.01 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 1xmo s LEU 6 CO 0.08 -0.08 0.21 0.00 0.02 0.00 0.00 176.35 176.58 1xmo s ALA 7 N 1.70 3.52 -0.05 4.21 0.00 -0.97 -4.87 121.76 125.29 1xmo s ALA 7 Ca 0.06 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 1xmo s ALA 7 Cb -0.16 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1xmo s ALA 7 CO 0.08 -0.75 1.47 0.50 0.00 0.00 0.00 175.76 177.06 1xmo s ARG 8 N 1.74 4.24 0.00 0.00 3.52 -1.26 -1.61 118.95 125.57 1xmo s ARG 8 Ca 0.07 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 57.66 1xmo s ARG 8 Cb -0.17 -3.75 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 1xmo s ARG 8 CO 0.11 -0.70 0.49 1.19 -0.81 0.00 0.00 175.30 175.58 1xmo n PHE 9 N 6.20 0.00 0.00 5.12 0.99 0.40 -4.87 117.46 125.30 1xmo n PHE 9 Ca 0.15 -0.12 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1xmo n PHE 9 Cb 0.43 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.90 1xmo n PHE 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xmo n GLY 10 N -0.12 -1.33 3.45 1.37 0.00 -0.96 -4.76 105.19 102.83 1xmo n GLY 10 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1xmo n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmo s SER 11 N -1.54 -0.01 0.26 1.61 1.04 0.13 -4.90 113.70 110.29 1xmo s SER 11 Ca 0.00 -1.07 -0.30 0.00 0.48 0.00 0.00 55.95 55.07 1xmo s SER 11 Cb 0.00 0.51 -0.14 0.00 0.10 0.00 0.00 66.02 66.49 1xmo s SER 11 CO 0.00 -1.03 1.18 1.17 0.98 0.00 0.00 173.24 175.54 1xmo n LYS 12 N -0.33 1.58 -0.54 4.02 4.81 -1.26 0.35 118.16 126.79 1xmo n LYS 12 Ca -0.01 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1xmo n LYS 12 Cb 0.63 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1xmo n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1xmo n HIS 13 N 0.91 0.00 -3.37 5.64 8.25 -1.26 -4.81 115.22 120.58 1xmo n HIS 13 Ca 0.10 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.31 1xmo n HIS 13 Cb 0.31 -1.26 -0.09 0.00 1.12 0.00 0.00 29.99 30.08 1xmo n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1xmo n ASN 14 N 0.00 0.89 -4.69 0.41 5.15 0.15 -5.12 115.26 112.05 1xmo n ASN 14 Ca 0.00 -2.78 -0.30 0.00 -0.60 0.00 0.00 54.58 50.90 1xmo n ASN 14 Cb 0.00 -0.63 0.15 0.00 -0.53 0.00 0.00 39.78 38.77 1xmo n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1xmo s PRO 15 N -1.05 1.13 -0.30 1.20 0.04 -1.23 0.20 135.00 134.99 1xmo s PRO 15 Ca 0.34 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.25 1xmo s PRO 15 Cb 0.10 -1.78 0.18 0.00 0.04 0.00 0.00 34.50 33.04 1xmo s PRO 15 CO -0.13 -2.39 1.06 -1.01 0.04 0.00 0.00 177.00 174.58 1xmo s HIS 16 N -2.82 -0.52 0.51 0.56 3.76 -1.26 -4.59 115.29 110.92 1xmo s HIS 16 Ca 0.64 0.75 0.08 0.00 -0.15 0.00 0.00 55.06 56.38 1xmo s HIS 16 Cb -0.20 0.26 0.04 0.00 1.11 0.00 0.00 32.58 33.79 1xmo s HIS 16 CO 0.58 -0.27 0.55 0.71 -0.85 0.00 0.00 174.74 175.46 1xmo s TYR 17 N 2.57 1.96 -0.19 1.40 1.51 -0.36 0.15 117.35 124.39 1xmo s TYR 17 Ca -0.01 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1xmo s TYR 17 Cb -0.07 -2.13 0.05 0.00 -0.11 0.00 0.00 41.96 39.70 1xmo s TYR 17 CO -0.15 -0.61 -0.01 1.03 -1.11 0.00 0.00 175.55 174.70 1xmo s ARG 18 N -4.38 1.06 0.13 -0.62 0.52 -0.64 -2.29 118.95 112.72 1xmo s ARG 18 Ca 0.49 -0.57 -0.31 0.00 -0.52 0.00 0.00 55.73 54.83 1xmo s ARG 18 Cb -0.05 -2.17 -0.10 0.00 0.52 0.00 0.00 34.95 33.15 1xmo s ARG 18 CO 0.30 -0.57 1.84 0.42 0.02 0.00 0.00 175.30 177.31 1xmo s ILE 19 N 1.70 2.50 -0.11 1.52 1.09 -0.56 -2.30 121.20 125.04 1xmo s ILE 19 Ca -0.02 0.02 -0.15 0.00 -1.10 0.00 0.00 60.65 59.40 1xmo s ILE 19 Cb -0.17 -3.01 0.04 0.00 -1.06 0.00 0.00 42.46 38.25 1xmo s ILE 19 CO -0.07 -0.00 0.39 0.54 -0.10 0.00 0.00 174.94 175.70 1xmo s VAL 20 N 2.76 0.02 0.07 2.92 0.11 0.50 -1.35 120.40 125.42 1xmo s VAL 20 Ca 0.81 -0.14 -0.27 0.00 -2.93 0.00 0.00 61.98 59.45 1xmo s VAL 20 Cb -0.46 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1xmo s VAL 20 CO 0.37 -0.08 0.85 -0.69 -3.33 0.00 0.00 175.10 172.22 1xmo s VAL 21 N -0.33 4.64 0.21 2.04 1.01 0.29 -1.03 120.40 127.23 1xmo s VAL 21 Ca -0.05 1.83 -0.23 0.00 0.00 0.00 0.00 61.98 63.53 1xmo s VAL 21 Cb -0.03 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.18 1xmo s VAL 21 CO 0.02 0.34 0.85 0.28 0.00 0.00 0.00 175.10 176.59 1xmo s THR 22 N 0.01 0.00 -0.00 3.92 -1.32 0.12 -0.08 115.64 118.28 1xmo s THR 22 Ca 0.42 -0.82 -0.25 0.00 -1.21 0.00 0.00 61.69 59.84 1xmo s THR 22 Cb -0.22 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1xmo s THR 22 CO 0.26 0.00 0.76 -0.62 -2.21 0.00 0.00 174.62 172.81 1xmo s ASP 23 N -2.94 7.14 0.49 8.08 -1.08 -1.26 0.19 116.67 127.29 1xmo s ASP 23 Ca 0.12 1.37 0.30 0.00 -0.52 0.00 0.00 52.55 53.82 1xmo s ASP 23 Cb -0.03 -2.46 1.40 0.00 -1.46 0.00 0.00 42.92 40.37 1xmo s ASP 23 CO 0.05 -0.07 1.77 0.00 0.52 0.00 0.00 175.17 177.44 1xmo h ALA 24 N 6.21 2.81 0.00 3.66 0.00 -1.09 0.48 119.26 131.34 1xmo h ALA 24 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xmo h ALA 24 Cb 1.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xmo h ALA 24 CO 0.73 -1.21 0.00 0.00 0.00 0.00 0.00 179.25 178.77 1xmo h ARG 25 N 0.14 0.00 -7.24 0.00 3.08 -1.92 -3.46 114.38 104.98 1xmo h ARG 25 Ca 0.60 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 60.19 1xmo h ARG 25 Cb 2.08 0.00 0.19 0.00 0.08 0.00 0.00 29.97 32.31 1xmo h ARG 25 CO -0.14 0.00 0.13 0.50 -1.07 0.00 0.00 179.97 179.39 1xmo s ARG 26 N -3.23 0.07 1.23 0.04 6.06 0.16 -5.00 118.95 118.28 1xmo s ARG 26 Ca 0.07 0.91 -0.18 0.00 -2.50 0.00 0.00 55.73 54.04 1xmo s ARG 26 Cb 0.10 -1.66 0.29 0.00 0.06 0.00 0.00 34.95 33.75 1xmo s ARG 26 CO 0.52 -3.08 1.04 0.15 -2.50 0.00 0.00 175.30 171.43 1xmo s LYS 27 N -4.67 -1.42 -0.03 5.12 1.02 -1.26 -4.96 119.74 113.55 1xmo s LYS 27 Ca 0.67 0.22 -0.13 0.00 0.02 0.00 0.00 55.97 56.75 1xmo s LYS 27 Cb -0.22 -1.55 -0.07 0.00 -0.52 0.00 0.00 37.83 35.47 1xmo s LYS 27 CO 0.61 -3.90 0.61 -0.09 -0.92 0.00 0.00 175.35 171.66 1xmo h ARG 28 N -2.73 -0.44 -0.91 1.68 2.43 -1.97 -3.28 114.38 109.16 1xmo h ARG 28 Ca -0.49 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.57 1xmo h ARG 28 Cb 1.32 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.89 1xmo h ARG 28 CO 0.39 -0.30 0.17 -0.25 -1.51 0.00 0.00 179.97 178.48 1xmo n ASP 29 N -4.52 3.33 -2.43 -3.80 10.43 -1.26 -4.75 116.55 113.54 1xmo n ASP 29 Ca -0.06 -2.63 0.00 0.00 2.57 0.00 0.00 54.79 54.68 1xmo n ASP 29 Cb 0.18 -0.63 0.00 0.00 1.84 0.00 0.00 41.12 42.51 1xmo n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xmo n GLY 30 N -0.02 -0.36 3.62 0.44 0.00 -1.24 -4.97 105.19 102.66 1xmo n GLY 30 Ca 0.22 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1xmo n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xmo s LYS 31 N 0.00 3.64 0.55 1.61 2.20 -1.26 -4.95 119.74 121.53 1xmo s LYS 31 Ca 0.00 1.58 0.04 0.00 -0.36 0.00 0.00 55.97 57.22 1xmo s LYS 31 Cb 0.00 -4.09 0.05 0.00 -1.51 0.00 0.00 37.83 32.28 1xmo s LYS 31 CO 0.00 -1.49 0.76 1.52 -0.36 0.00 0.00 175.35 175.79 1xmo s TYR 32 N 5.77 2.46 0.03 4.03 1.13 -1.26 -4.83 117.35 124.68 1xmo s TYR 32 Ca 0.74 -0.24 0.08 0.00 -1.41 0.00 0.00 57.07 56.25 1xmo s TYR 32 Cb -0.24 -2.64 -0.23 0.00 -1.10 0.00 0.00 41.96 37.76 1xmo s TYR 32 CO 0.31 -0.94 0.96 0.82 -2.51 0.00 0.00 175.55 174.19 1xmo h ILE 33 N 0.12 1.27 0.00 -3.49 2.04 -0.86 -3.48 117.51 113.11 1xmo h ILE 33 Ca -0.39 -3.03 0.00 0.00 1.00 0.00 0.00 64.86 62.44 1xmo h ILE 33 Cb 1.29 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 40.02 1xmo h ILE 33 CO 0.47 0.75 0.00 1.21 0.00 0.00 0.00 178.15 180.58 1xmo n GLU 34 N -3.23 0.00 -2.95 2.37 2.13 -1.16 -4.98 120.64 112.82 1xmo n GLU 34 Ca -0.09 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.36 1xmo n GLU 34 Cb 1.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.65 1xmo n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1xmo s LYS 35 N -0.28 4.44 -0.04 5.31 2.20 -1.26 -0.55 119.74 129.56 1xmo s LYS 35 Ca 0.00 1.10 0.25 0.00 -0.36 0.00 0.00 55.97 56.96 1xmo s LYS 35 Cb 0.00 -2.91 0.44 0.00 -1.51 0.00 0.00 37.83 33.84 1xmo s LYS 35 CO 0.00 0.38 1.17 0.44 -0.36 0.00 0.00 175.35 176.98 1xmo n ILE 36 N 0.80 0.25 0.00 5.43 -5.35 -0.46 -4.90 119.36 115.12 1xmo n ILE 36 Ca -0.01 -1.31 0.00 0.00 -0.27 0.00 0.00 62.75 61.16 1xmo n ILE 36 Cb 0.50 0.95 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1xmo n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xmo n GLY 37 N 0.31 1.29 3.26 3.28 0.00 -1.16 -1.77 105.19 110.39 1xmo n GLY 37 Ca 0.07 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.31 1xmo n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xmo s TYR 38 N -1.65 1.55 -0.30 1.61 -0.85 -0.71 -1.49 117.35 115.51 1xmo s TYR 38 Ca 0.00 -1.56 -0.13 0.00 -0.52 0.00 0.00 57.07 54.86 1xmo s TYR 38 Cb 0.00 -0.67 0.14 0.00 0.38 0.00 0.00 41.96 41.81 1xmo s TYR 38 CO 0.00 -0.78 0.79 -0.47 -1.52 0.00 0.00 175.55 173.58 1xmo s TYR 39 N -3.69 -1.03 -0.64 -3.49 5.04 -0.97 -3.29 117.35 109.28 1xmo s TYR 39 Ca 0.40 1.83 -0.11 0.00 -2.44 0.00 0.00 57.07 56.75 1xmo s TYR 39 Cb 0.04 0.62 0.17 0.00 0.35 0.00 0.00 41.96 43.13 1xmo s TYR 39 CO 0.22 -0.51 0.54 0.34 -1.34 0.00 0.00 175.55 174.80 1xmo s ASP 40 N 2.46 6.06 0.55 4.32 3.68 -1.13 -1.22 116.67 131.38 1xmo s ASP 40 Ca -0.06 -2.37 0.43 0.00 2.13 0.00 0.00 52.55 52.69 1xmo s ASP 40 Cb -0.08 -2.08 1.64 0.00 -1.45 0.00 0.00 42.92 40.94 1xmo s ASP 40 CO -0.18 -0.61 1.68 -0.65 0.13 0.00 0.00 175.17 175.54 1xmo h PRO 41 N 7.98 0.00 -0.66 4.34 0.11 -1.88 0.42 132.00 142.31 1xmo h PRO 41 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1xmo h PRO 41 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xmo h PRO 41 CO 0.82 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.15 1xmo n ARG 42 N -4.04 3.38 -3.91 1.05 1.74 -1.26 -4.96 116.66 108.66 1xmo n ARG 42 Ca 0.35 -2.63 -0.25 0.00 -0.77 0.00 0.00 57.85 54.55 1xmo n ARG 42 Cb 1.63 -1.80 0.01 0.00 -1.02 0.00 0.00 32.46 31.28 1xmo n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xmo n LYS 43 N 1.13 -0.62 0.10 5.56 4.01 0.15 -4.75 118.16 123.74 1xmo n LYS 43 Ca 0.24 -0.23 -0.03 0.00 -0.51 0.00 0.00 58.31 57.78 1xmo n LYS 43 Cb 0.79 -0.78 0.02 0.00 -0.51 0.00 0.00 35.03 34.55 1xmo n LYS 43 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1xmo h THR 44 N 0.15 1.48 -2.51 -0.18 1.35 -1.93 -3.45 112.91 107.82 1xmo h THR 44 Ca -0.37 -2.75 -0.56 0.00 -0.55 0.00 0.00 66.41 62.18 1xmo h THR 44 Cb 0.72 2.52 -0.09 0.00 -1.73 0.00 0.00 68.15 69.57 1xmo h THR 44 CO 0.27 0.76 -0.61 0.42 -0.25 0.00 0.00 175.52 176.11 1xmo s THR 45 N -3.08 3.93 0.24 6.82 -4.23 -1.26 -5.00 115.64 113.05 1xmo s THR 45 Ca 0.01 -1.50 -0.07 0.00 -1.18 0.00 0.00 61.69 58.94 1xmo s THR 45 Cb 0.11 -3.05 0.22 0.00 1.34 0.00 0.00 72.50 71.11 1xmo s THR 45 CO 0.78 -0.24 1.91 1.55 -0.54 0.00 0.00 174.62 178.08 1xmo h PRO 46 N 2.15 1.19 -5.45 3.99 0.13 -2.02 -3.30 132.00 128.70 1xmo h PRO 46 Ca -0.47 -0.07 -0.64 0.00 -0.87 0.00 0.00 66.00 63.95 1xmo h PRO 46 Cb 1.22 -0.27 -0.15 0.00 0.13 0.00 0.00 31.00 31.94 1xmo h PRO 46 CO 0.60 0.79 0.85 0.34 -0.23 0.00 0.00 178.00 180.35 1xmo s ASP 47 N -6.02 6.40 -0.12 1.44 3.68 -1.26 -4.83 116.67 115.97 1xmo s ASP 47 Ca -0.13 -1.44 0.14 0.00 2.13 0.00 0.00 52.55 53.26 1xmo s ASP 47 Cb 0.17 -2.45 0.31 0.00 -1.45 0.00 0.00 42.92 39.50 1xmo s ASP 47 CO 0.80 -1.33 1.15 -2.67 0.13 0.00 0.00 175.17 173.25 1xmo n TRP 48 N 7.56 0.00 -3.04 -5.34 4.27 -1.24 -4.95 117.44 114.70 1xmo n TRP 48 Ca 0.13 -0.96 0.04 0.00 -3.89 0.00 0.00 57.50 52.82 1xmo n TRP 48 Cb 0.48 -0.17 0.00 0.00 -1.36 0.00 0.00 31.31 30.26 1xmo n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1xmo s LEU 49 N -2.20 -0.68 0.05 5.67 2.96 -1.26 -2.86 118.68 120.37 1xmo s LEU 49 Ca 0.30 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1xmo s LEU 49 Cb 0.28 1.18 -0.04 0.00 0.50 0.00 0.00 46.19 48.11 1xmo s LEU 49 CO -0.03 -0.10 0.08 -0.75 -1.32 0.00 0.00 176.35 174.22 1xmo s LYS 50 N 2.49 2.94 -0.38 1.98 2.20 -1.21 -4.96 119.74 122.80 1xmo s LYS 50 Ca 0.20 -0.63 0.05 0.00 -0.36 0.00 0.00 55.97 55.24 1xmo s LYS 50 Cb -0.02 -2.77 0.17 0.00 -1.51 0.00 0.00 37.83 33.71 1xmo s LYS 50 CO -0.19 0.59 0.50 0.08 -0.36 0.00 0.00 175.35 175.97 1xmo s VAL 51 N -1.32 -0.66 -0.52 4.02 1.01 -1.26 -1.74 120.40 119.93 1xmo s VAL 51 Ca 0.27 -0.50 -0.34 0.00 0.00 0.00 0.00 61.98 61.41 1xmo s VAL 51 Cb -0.12 -0.40 -0.14 0.00 0.00 0.00 0.00 36.38 35.72 1xmo s VAL 51 CO 0.19 -0.30 2.33 -0.67 0.00 0.00 0.00 175.10 176.65 1xmo n ASP 52 N 4.40 1.62 -0.06 3.32 -0.08 -0.73 -4.79 116.55 120.22 1xmo n ASP 52 Ca 0.10 0.24 -0.10 0.00 -1.51 0.00 0.00 54.79 53.53 1xmo n ASP 52 Cb 0.51 -1.20 -0.09 0.00 2.34 0.00 0.00 41.12 42.68 1xmo n ASP 52 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1xmo h VAL 53 N 7.37 1.21 -0.88 5.18 -1.51 -1.95 -1.50 116.25 124.17 1xmo h VAL 53 Ca -0.20 -1.91 0.26 0.00 -1.23 0.00 0.00 66.70 63.61 1xmo h VAL 53 Cb 1.32 2.29 -0.04 0.00 -2.13 0.00 0.00 31.29 32.73 1xmo h VAL 53 CO 1.13 0.41 1.05 1.05 -1.23 0.00 0.00 177.57 179.98 1xmo h GLU 54 N -1.00 0.00 0.00 5.19 -0.00 -1.98 0.54 114.58 117.33 1xmo h GLU 54 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1xmo h GLU 54 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.43 1xmo h GLU 54 CO -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 179.01 178.99 1xmo h ARG 55 N 0.00 0.00 -0.18 1.06 2.47 -1.92 -2.89 114.38 112.92 1xmo h ARG 55 Ca 0.42 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 59.16 1xmo h ARG 55 Cb 2.51 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.79 1xmo h ARG 55 CO -0.00 0.00 -0.30 0.00 0.56 0.00 0.00 179.97 180.22 1xmo h ALA 56 N -1.20 -0.60 -0.84 0.04 0.00 0.93 0.71 119.26 118.30 1xmo h ALA 56 Ca 0.00 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.24 1xmo h ALA 56 Cb 0.02 0.90 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 1xmo h ALA 56 CO 0.00 -0.73 0.40 0.54 0.00 0.00 0.00 179.25 179.46 1xmo n ARG 57 N -4.15 -0.05 0.00 0.00 1.74 0.13 0.28 116.66 114.61 1xmo n ARG 57 Ca -0.02 1.17 0.00 0.00 -0.77 0.00 0.00 57.85 58.23 1xmo n ARG 57 Cb 0.19 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 1xmo n ARG 57 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1xmo n TYR 58 N -4.93 0.00 -0.29 -1.55 4.19 0.23 -2.41 117.16 112.40 1xmo n TYR 58 Ca 0.30 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.52 1xmo n TYR 58 Cb 1.03 -0.41 0.07 0.00 0.49 0.00 0.00 39.34 40.53 1xmo n TYR 58 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 1xmo h TRP 59 N 0.00 -0.66 -0.91 2.98 4.06 0.14 1.12 115.95 122.67 1xmo h TRP 59 Ca 0.00 0.08 0.22 0.00 2.06 0.00 0.00 58.89 61.25 1xmo h TRP 59 Cb 0.00 0.42 -0.06 0.00 -1.00 0.00 0.00 29.16 28.51 1xmo h TRP 59 CO 0.18 -0.37 0.61 -0.07 -3.56 0.00 0.00 178.44 175.23 1xmo h LEU 60 N -0.03 0.34 0.00 -4.49 3.38 -1.24 0.54 115.31 113.81 1xmo h LEU 60 Ca 0.36 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1xmo h LEU 60 Cb 0.60 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1xmo h LEU 60 CO -0.85 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 176.26 1xmo n SER 61 N -4.48 0.00 -2.79 -0.43 3.41 0.38 -3.61 113.62 106.10 1xmo n SER 61 Ca 0.20 -0.40 -0.09 0.00 -0.26 0.00 0.00 58.87 58.31 1xmo n SER 61 Cb 0.76 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.75 1xmo n SER 61 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xmo n VAL 62 N -0.79 -0.06 0.00 -3.33 0.31 0.19 -5.07 118.33 109.58 1xmo n VAL 62 Ca 0.04 -1.71 0.00 0.00 -0.01 0.00 0.00 64.34 62.66 1xmo n VAL 62 Cb 0.02 1.22 0.00 0.00 -0.91 0.00 0.00 33.84 34.17 1xmo n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xmo n GLY 63 N 1.56 1.32 2.94 2.92 0.00 -1.24 -4.98 105.19 107.71 1xmo n GLY 63 Ca 0.10 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 1xmo n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmo n ALA 64 N 4.64 -1.96 -2.50 4.61 0.00 -1.14 -4.60 120.51 119.55 1xmo n ALA 64 Ca 0.00 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1xmo n ALA 64 Cb 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.19 1xmo n ALA 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1xmo s GLN 65 N -1.47 3.26 0.38 0.00 2.00 -0.70 -4.51 119.66 118.61 1xmo s GLN 65 Ca 0.17 -0.65 -0.25 0.00 -2.00 0.00 0.00 55.36 52.63 1xmo s GLN 65 Cb -0.02 -3.91 -0.09 0.00 0.80 0.00 0.00 33.01 29.79 1xmo s GLN 65 CO 0.38 -0.73 1.06 -1.25 -0.50 0.00 0.00 175.29 174.26 1xmo s PRO 66 N 2.07 4.23 0.72 1.67 0.04 -1.26 -2.24 135.00 140.24 1xmo s PRO 66 Ca 0.12 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1xmo s PRO 66 Cb -0.17 -2.65 0.04 0.00 0.04 0.00 0.00 34.50 31.75 1xmo s PRO 66 CO 0.13 -0.09 1.19 0.99 0.04 0.00 0.00 177.00 179.25 1xmo s THR 67 N -1.56 2.43 0.32 1.26 2.01 -0.77 -4.62 115.64 114.71 1xmo s THR 67 Ca 0.56 0.21 0.09 0.00 0.31 0.00 0.00 61.69 62.86 1xmo s THR 67 Cb -0.24 -2.76 0.32 0.00 0.01 0.00 0.00 72.50 69.82 1xmo s THR 67 CO 0.30 -0.12 1.76 0.44 -0.69 0.00 0.00 174.62 176.32 1xmo h ASP 68 N -0.28 0.70 0.01 3.53 5.19 -1.96 0.16 116.42 123.77 1xmo h ASP 68 Ca -0.47 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1xmo h ASP 68 Cb 1.29 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1xmo h ASP 68 CO 0.50 0.18 -0.00 0.74 -3.12 0.00 0.00 179.24 177.54 1xmo h THR 69 N 0.64 1.55 -0.58 0.35 2.02 -1.97 -2.50 112.91 112.43 1xmo h THR 69 Ca 0.60 -1.81 0.08 0.00 0.77 0.00 0.00 66.41 66.06 1xmo h THR 69 Cb 1.10 2.76 -0.10 0.00 -1.74 0.00 0.00 68.15 70.16 1xmo h THR 69 CO -0.40 0.46 -0.45 0.00 0.37 0.00 0.00 175.52 175.49 1xmo h ALA 70 N 0.15 -0.38 -0.52 6.16 0.00 -1.55 0.61 119.26 123.73 1xmo h ALA 70 Ca -0.00 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1xmo h ALA 70 Cb 0.76 0.99 -0.09 0.00 0.00 0.00 0.00 17.79 19.45 1xmo h ALA 70 CO 0.00 -0.86 -0.06 -0.09 0.00 0.00 0.00 179.25 178.24 1xmo h ARG 71 N -0.24 0.05 -0.26 0.00 2.43 -0.82 0.10 114.38 115.65 1xmo h ARG 71 Ca 0.17 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1xmo h ARG 71 Cb 0.56 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 1xmo h ARG 71 CO -0.69 0.04 -0.47 -0.09 -1.51 0.00 0.00 179.97 177.25 1xmo h ARG 72 N 0.06 -0.43 -0.59 0.20 2.43 0.57 0.70 114.38 117.32 1xmo h ARG 72 Ca 0.26 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1xmo h ARG 72 Cb 0.40 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 1xmo h ARG 72 CO -0.49 -0.28 0.33 -0.07 -1.51 0.00 0.00 179.97 177.95 1xmo h LEU 73 N -0.44 0.50 -0.21 3.80 3.38 0.00 -1.15 115.31 121.20 1xmo h LEU 73 Ca 0.09 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1xmo h LEU 73 Cb 0.62 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1xmo h LEU 73 CO -0.49 0.34 0.12 -0.07 0.09 0.00 0.00 178.44 178.43 1xmo h LEU 74 N 0.63 0.20 -0.20 1.67 3.38 0.34 -0.80 115.31 120.54 1xmo h LEU 74 Ca 0.26 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1xmo h LEU 74 Cb 0.12 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1xmo h LEU 74 CO -0.15 0.15 -0.20 -0.09 0.09 0.00 0.00 178.44 178.24 1xmo h ARG 75 N 0.26 -0.21 -0.97 1.13 2.43 0.11 -0.29 114.38 116.83 1xmo h ARG 75 Ca 0.08 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.42 1xmo h ARG 75 Cb -0.01 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 1xmo h ARG 75 CO -0.04 -0.14 0.61 0.37 -1.51 0.00 0.00 179.97 179.27 1xmo h GLN 76 N -0.21 0.78 0.00 0.20 4.15 -0.72 1.24 115.11 120.55 1xmo h GLN 76 Ca 0.12 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1xmo h GLN 76 Cb 0.40 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1xmo h GLN 76 CO -0.33 0.51 0.00 0.00 -1.93 0.00 0.00 178.83 177.08 1xmo n ALA 77 N -2.38 2.40 -2.44 3.38 0.00 -0.22 -4.85 120.51 116.40 1xmo n ALA 77 Ca 0.20 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 1xmo n ALA 77 Cb 0.48 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.78 1xmo n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmo n GLY 78 N 0.47 -0.06 0.26 0.00 0.00 0.43 -4.92 105.19 101.37 1xmo n GLY 78 Ca 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 1xmo n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xmo h VAL 79 N -0.36 1.21 -3.67 1.61 2.07 -1.36 -3.27 116.25 112.47 1xmo h VAL 79 Ca -0.29 -0.89 -0.76 0.00 0.82 0.00 0.00 66.70 65.57 1xmo h VAL 79 Cb 1.21 1.08 -0.29 0.00 -1.52 0.00 0.00 31.29 31.76 1xmo h VAL 79 CO 0.33 0.30 0.04 -0.36 0.02 0.00 0.00 177.57 177.89 1xmo s PHE 80 N -4.82 3.78 -1.06 1.57 0.40 -1.26 -4.91 117.98 111.68 1xmo s PHE 80 Ca -0.07 -2.39 -0.20 0.00 -0.60 0.00 0.00 56.93 53.68 1xmo s PHE 80 Cb 0.15 -3.62 -0.08 0.00 0.51 0.00 0.00 43.02 39.98 1xmo s PHE 80 CO 0.77 -0.92 1.99 -2.13 0.70 0.00 0.00 175.22 175.62 1xmo n ARG 81 N 3.47 2.03 -0.08 0.44 3.00 -1.24 -4.69 116.66 119.59 1xmo n ARG 81 Ca 0.15 -2.27 0.00 0.00 -0.00 0.00 0.00 57.85 55.73 1xmo n ARG 81 Cb 0.43 -3.19 0.00 0.00 0.00 0.00 0.00 32.46 29.70 1xmo n ARG 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xmo n GLN 82 N 7.08 0.29 0.00 -0.14 10.64 -1.26 -5.24 117.38 128.75 1xmo n GLN 82 Ca 0.50 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.67 1xmo n GLN 82 Cb 0.41 -1.36 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 1xmo n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62