#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx8 n VAL 2 N 0.00 2.42 -3.42 2.03 3.14 -1.26 -2.50 118.33 118.74 1xx8 n VAL 2 Ca 0.00 -1.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.09 1xx8 n VAL 2 Cb 0.00 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.80 1xx8 n VAL 2 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1xx8 n LYS 3 N -0.08 0.00 -3.97 1.45 2.85 -1.26 -4.82 118.16 112.32 1xx8 n LYS 3 Ca 0.31 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.28 1xx8 n LYS 3 Cb 0.88 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 35.10 1xx8 n LYS 3 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1xx8 s VAL 4 N -2.06 1.47 -0.53 0.58 1.01 -1.26 -4.14 120.40 115.47 1xx8 s VAL 4 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1xx8 s VAL 4 Cb 0.00 -1.52 0.41 0.00 0.00 0.00 0.00 36.38 35.27 1xx8 s VAL 4 CO 0.00 0.24 1.42 2.29 0.00 0.00 0.00 175.10 179.05 1xx8 n LYS 5 N 4.76 3.24 -0.47 2.72 2.85 -1.26 -1.86 118.16 128.15 1xx8 n LYS 5 Ca -0.14 -4.11 -0.28 0.00 -1.05 0.00 0.00 58.31 52.72 1xx8 n LYS 5 Cb 0.48 -2.26 0.23 0.00 -0.65 0.00 0.00 35.03 32.82 1xx8 n LYS 5 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1xx8 n PHE 6 N -0.58 -2.16 -3.60 5.58 -1.74 -0.98 -4.38 117.46 109.60 1xx8 n PHE 6 Ca 0.45 -0.23 -0.37 0.00 -0.56 0.00 0.00 57.45 56.74 1xx8 n PHE 6 Cb 0.62 -1.51 -0.10 0.00 1.52 0.00 0.00 39.48 40.01 1xx8 n PHE 6 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1xx8 s LYS 7 N -4.14 4.03 -0.07 3.97 2.20 -1.25 -0.85 119.74 123.63 1xx8 s LYS 7 Ca 0.60 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1xx8 s LYS 7 Cb -0.15 -3.59 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1xx8 s LYS 7 CO 0.58 -0.05 -0.05 -0.47 -0.36 0.00 0.00 175.35 175.00 1xx8 s TYR 8 N 1.39 1.02 0.00 4.03 5.04 0.22 -4.29 117.35 124.75 1xx8 s TYR 8 Ca 0.08 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 1xx8 s TYR 8 Cb -0.15 -0.91 0.00 0.00 0.35 0.00 0.00 41.96 41.26 1xx8 s TYR 8 CO 0.07 -0.33 0.00 1.63 -1.34 0.00 0.00 175.55 175.59 1xx8 n LYS 9 N 4.57 -0.25 -0.15 4.97 4.01 -1.26 -2.86 118.16 127.19 1xx8 n LYS 9 Ca -0.16 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.70 1xx8 n LYS 9 Cb 0.50 -3.27 0.00 0.00 -0.51 0.00 0.00 35.03 31.76 1xx8 n LYS 9 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xx8 n GLY 10 N -1.97 0.92 3.31 0.72 0.00 -1.26 -5.07 105.19 101.84 1xx8 n GLY 10 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1xx8 n GLY 10 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xx8 s GLU 11 N -0.76 1.28 -0.26 1.61 -6.30 -1.13 -5.10 118.70 108.03 1xx8 s GLU 11 Ca 0.00 -1.63 -0.29 0.00 -2.50 0.00 0.00 54.97 50.55 1xx8 s GLU 11 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 34.13 33.52 1xx8 s GLU 11 CO 0.00 -0.06 1.22 -1.21 0.02 0.00 0.00 175.26 175.22 1xx8 s GLU 12 N -3.84 4.08 0.11 4.30 2.02 -1.26 -0.61 118.70 123.49 1xx8 s GLU 12 Ca 0.26 1.35 0.07 0.00 0.02 0.00 0.00 54.97 56.67 1xx8 s GLU 12 Cb 0.05 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 1xx8 s GLU 12 CO 0.07 -0.90 -0.17 0.21 0.02 0.00 0.00 175.26 174.48 1xx8 s LYS 13 N 3.76 1.06 0.27 1.61 2.47 -0.03 -4.89 119.74 123.99 1xx8 s LYS 13 Ca 0.52 -1.18 0.07 0.00 -1.56 0.00 0.00 55.97 53.82 1xx8 s LYS 13 Cb -0.17 -1.14 -0.06 0.00 -1.46 0.00 0.00 37.83 35.00 1xx8 s LYS 13 CO 0.17 0.25 -0.06 -1.21 0.16 0.00 0.00 175.35 174.65 1xx8 s GLU 14 N -2.21 1.52 0.03 4.03 8.01 -1.26 -2.31 118.70 126.51 1xx8 s GLU 14 Ca 0.07 -1.76 0.04 0.00 0.01 0.00 0.00 54.97 53.32 1xx8 s GLU 14 Cb -0.08 -1.13 -0.02 0.00 -4.31 0.00 0.00 34.13 28.59 1xx8 s GLU 14 CO 0.04 0.05 -0.12 0.14 0.01 0.00 0.00 175.26 175.38 1xx8 s VAL 15 N -3.02 0.92 -1.77 2.63 -7.23 -0.78 -5.00 120.40 106.16 1xx8 s VAL 15 Ca 0.29 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1xx8 s VAL 15 Cb 0.03 -0.85 0.02 0.00 0.56 0.00 0.00 36.38 36.14 1xx8 s VAL 15 CO 0.11 -0.02 0.65 -0.67 -0.31 0.00 0.00 175.10 174.86 1xx8 n ASP 16 N 2.03 0.00 0.00 4.85 2.03 -1.26 -4.32 116.55 119.88 1xx8 n ASP 16 Ca -0.18 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1xx8 n ASP 16 Cb 0.55 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1xx8 n ASP 16 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1xx8 n THR 17 N -1.12 0.00 0.76 5.18 -1.04 -1.26 -4.60 114.28 112.21 1xx8 n THR 17 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.09 1xx8 n THR 17 Cb 0.00 0.00 0.39 0.00 -1.82 0.00 0.00 70.33 68.90 1xx8 n THR 17 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1xx8 n SER 18 N 2.49 0.00 0.07 8.00 7.64 -1.26 -1.04 113.62 129.52 1xx8 n SER 18 Ca 0.00 -0.12 0.11 0.00 1.01 0.00 0.00 58.87 59.88 1xx8 n SER 18 Cb 0.00 -0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.03 1xx8 n SER 18 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xx8 n LYS 19 N -1.18 0.49 -1.82 1.43 4.76 -1.26 -4.77 118.16 115.81 1xx8 n LYS 19 Ca 0.08 0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.23 1xx8 n LYS 19 Cb 0.09 -1.72 -0.04 0.00 -1.84 0.00 0.00 35.03 31.53 1xx8 n LYS 19 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xx8 s ILE 20 N -3.31 3.20 -0.13 -0.18 -1.09 -0.20 -4.43 121.20 115.06 1xx8 s ILE 20 Ca 0.01 0.05 -0.10 0.00 -2.23 0.00 0.00 60.65 58.38 1xx8 s ILE 20 Cb 0.12 -3.52 -0.25 0.00 -1.58 0.00 0.00 42.46 37.23 1xx8 s ILE 20 CO 0.80 -0.50 0.36 0.11 -1.23 0.00 0.00 174.94 174.47 1xx8 h LYS 21 N 16.17 0.23 -3.68 2.79 1.57 -1.77 -3.48 116.57 128.38 1xx8 h LYS 21 Ca -0.19 -0.39 -0.17 0.00 -1.87 0.00 0.00 60.65 58.03 1xx8 h LYS 21 Cb 1.17 0.14 -0.23 0.00 0.08 0.00 0.00 32.23 33.40 1xx8 h LYS 21 CO 1.18 1.18 -0.61 0.21 -0.57 0.00 0.00 179.45 180.84 1xx8 s LYS 22 N -2.52 0.29 0.03 3.15 2.20 -0.57 -5.06 119.74 117.26 1xx8 s LYS 22 Ca -0.23 -0.30 0.06 0.00 -0.36 0.00 0.00 55.97 55.14 1xx8 s LYS 22 Cb 0.06 0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 1xx8 s LYS 22 CO 0.74 -0.06 -0.19 0.54 -0.36 0.00 0.00 175.35 176.03 1xx8 s VAL 23 N -0.94 1.50 -0.11 4.02 0.11 -1.26 -1.02 120.40 122.70 1xx8 s VAL 23 Ca -0.10 -1.08 -0.10 0.00 -2.93 0.00 0.00 61.98 57.77 1xx8 s VAL 23 Cb -0.06 -1.30 0.03 0.00 -1.53 0.00 0.00 36.38 33.52 1xx8 s VAL 23 CO 0.00 0.20 0.29 0.00 -3.33 0.00 0.00 175.10 172.26 1xx8 s ALA 24 N -0.74 -0.72 0.39 1.54 0.00 -1.23 -4.94 121.76 116.06 1xx8 s ALA 24 Ca 0.06 0.84 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 1xx8 s ALA 24 Cb -0.08 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1xx8 s ALA 24 CO 0.01 -0.14 0.70 0.50 0.00 0.00 0.00 175.76 176.83 1xx8 s ARG 25 N 0.19 3.64 0.00 0.00 3.52 -1.26 -1.83 118.95 123.21 1xx8 s ARG 25 Ca -0.00 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 1xx8 s ARG 25 Cb -0.02 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 1xx8 s ARG 25 CO 0.00 -0.01 0.00 1.33 -0.81 0.00 0.00 175.30 175.81 1xx8 n VAL 26 N -1.57 0.00 0.00 7.11 0.24 -1.24 -4.84 118.33 118.03 1xx8 n VAL 26 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1xx8 n VAL 26 Cb 0.55 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 1xx8 n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xx8 n GLY 27 N 2.93 -0.05 0.06 7.63 0.00 -1.26 -4.96 105.19 109.55 1xx8 n GLY 27 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1xx8 n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xx8 n LYS 28 N -1.67 1.20 0.00 1.61 4.76 -1.26 -5.02 118.16 117.77 1xx8 n LYS 28 Ca 0.00 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1xx8 n LYS 28 Cb 0.00 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1xx8 n LYS 28 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1xx8 n MET 29 N -2.50 3.86 -3.80 1.97 2.81 -1.26 -4.47 117.12 113.74 1xx8 n MET 29 Ca -0.22 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.54 1xx8 n MET 29 Cb 0.91 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 33.27 1xx8 n MET 29 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1xx8 s VAL 30 N 2.69 -0.04 -0.35 2.03 1.01 -0.34 -3.68 120.40 121.73 1xx8 s VAL 30 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 1xx8 s VAL 30 Cb 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 36.38 36.41 1xx8 s VAL 30 CO 0.00 0.05 0.17 -0.44 0.00 0.00 0.00 175.10 174.88 1xx8 s SER 31 N 0.67 3.64 0.03 3.32 0.01 -0.76 -2.90 113.70 117.71 1xx8 s SER 31 Ca -0.05 -1.99 -0.04 0.00 1.31 0.00 0.00 55.95 55.18 1xx8 s SER 31 Cb -0.08 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.36 1xx8 s SER 31 CO -0.02 -0.35 0.24 0.72 0.41 0.00 0.00 173.24 174.24 1xx8 s PHE 32 N 1.20 3.54 -0.24 2.43 -0.71 -1.07 -3.53 117.98 119.61 1xx8 s PHE 32 Ca 0.14 0.44 -0.06 0.00 -1.04 0.00 0.00 56.93 56.41 1xx8 s PHE 32 Cb -0.20 -1.90 -0.02 0.00 -1.21 0.00 0.00 43.02 39.69 1xx8 s PHE 32 CO -0.14 0.59 0.03 0.95 -1.34 0.00 0.00 175.22 175.31 1xx8 s THR 33 N -1.40 3.93 0.05 -4.49 -4.23 -0.19 -2.45 115.64 106.87 1xx8 s THR 33 Ca 0.31 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1xx8 s THR 33 Cb -0.13 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1xx8 s THR 33 CO 0.20 0.36 0.00 0.00 -0.54 0.00 0.00 174.62 174.64 1xx8 n TYR 34 N 4.87 -0.34 -2.40 3.99 4.11 -1.25 -1.51 117.16 124.63 1xx8 n TYR 34 Ca -0.17 0.06 -0.01 0.00 -0.00 0.00 0.00 57.90 57.78 1xx8 n TYR 34 Cb 0.51 0.25 -0.01 0.00 -0.00 0.00 0.00 39.34 40.10 1xx8 n TYR 34 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1xx8 n ASP 35 N -2.96 -5.12 -3.62 9.48 2.03 -1.25 -4.47 116.55 110.64 1xx8 n ASP 35 Ca 0.00 1.08 -0.13 0.00 0.52 0.00 0.00 54.79 56.26 1xx8 n ASP 35 Cb 0.19 -4.30 0.06 0.00 -0.72 0.00 0.00 41.12 36.35 1xx8 n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xx8 n ASP 36 N 0.73 1.00 -0.12 1.67 2.03 -1.17 -4.93 116.55 115.77 1xx8 n ASP 36 Ca -0.08 -1.78 0.04 0.00 0.52 0.00 0.00 54.79 53.49 1xx8 n ASP 36 Cb 0.13 -0.33 -0.02 0.00 -0.72 0.00 0.00 41.12 40.17 1xx8 n ASP 36 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xx8 n ASN 37 N -2.80 0.82 -0.00 1.67 5.03 -1.26 -4.49 115.26 114.24 1xx8 n ASN 37 Ca 0.10 -0.91 -0.00 0.00 0.87 0.00 0.00 54.58 54.63 1xx8 n ASN 37 Cb 0.36 0.71 -0.00 0.00 -1.02 0.00 0.00 39.78 39.82 1xx8 n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xx8 n GLY 38 N 1.02 -0.01 0.31 7.41 0.00 -1.26 -5.05 105.19 107.61 1xx8 n GLY 38 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1xx8 n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xx8 n LYS 39 N -2.67 0.63 -4.02 1.61 4.01 -1.26 -5.14 118.16 111.31 1xx8 n LYS 39 Ca -0.01 -0.22 0.05 0.00 -0.51 0.00 0.00 58.31 57.61 1xx8 n LYS 39 Cb 0.51 -0.05 0.01 0.00 -0.51 0.00 0.00 35.03 34.99 1xx8 n LYS 39 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1xx8 s THR 40 N 0.09 0.00 0.00 -0.18 -1.32 -1.26 -3.03 115.64 109.94 1xx8 s THR 40 Ca 0.05 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1xx8 s THR 40 Cb -0.00 -2.95 0.00 0.00 -1.51 0.00 0.00 72.50 68.04 1xx8 s THR 40 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1xx8 n GLY 41 N -0.96 1.64 3.25 6.08 0.00 -1.26 -4.75 105.19 109.19 1xx8 n GLY 41 Ca 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1xx8 n GLY 41 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xx8 s ARG 42 N 0.00 1.04 0.04 1.61 1.04 -1.26 -3.86 118.95 117.56 1xx8 s ARG 42 Ca 0.00 -1.28 0.05 0.00 -1.04 0.00 0.00 55.73 53.46 1xx8 s ARG 42 Cb 0.00 0.32 -0.02 0.00 -2.04 0.00 0.00 34.95 33.20 1xx8 s ARG 42 CO 0.00 -0.34 -0.15 0.20 -0.04 0.00 0.00 175.30 174.97 1xx8 s GLY 43 N -3.00 0.83 -0.10 3.88 0.00 -1.02 -5.00 107.32 102.91 1xx8 s GLY 43 Ca 0.19 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 44.05 1xx8 s GLY 43 CO 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 173.10 172.20 1xx8 s ALA 44 N -0.88 1.18 0.07 3.20 0.00 -1.26 -2.58 121.76 121.49 1xx8 s ALA 44 Ca 0.02 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 1xx8 s ALA 44 Cb -0.08 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1xx8 s ALA 44 CO 0.01 -0.36 0.09 0.54 0.00 0.00 0.00 175.76 176.04 1xx8 s VAL 45 N 1.63 0.18 0.43 0.00 0.11 -1.14 -3.80 120.40 117.81 1xx8 s VAL 45 Ca 0.03 -1.45 -0.21 0.00 -2.93 0.00 0.00 61.98 57.41 1xx8 s VAL 45 Cb -0.13 -1.40 -0.11 0.00 -1.53 0.00 0.00 36.38 33.21 1xx8 s VAL 45 CO -0.06 -0.80 0.95 -0.94 -3.33 0.00 0.00 175.10 170.92 1xx8 s SER 46 N -2.86 6.93 0.41 3.54 1.04 -1.26 -1.19 113.70 120.31 1xx8 s SER 46 Ca 0.05 1.70 0.13 0.00 0.48 0.00 0.00 55.95 58.31 1xx8 s SER 46 Cb 0.06 -2.54 0.87 0.00 0.10 0.00 0.00 66.02 64.51 1xx8 s SER 46 CO -0.10 -0.37 1.92 -0.33 0.98 0.00 0.00 173.24 175.34 1xx8 h GLU 47 N 1.91 0.03 -0.23 4.02 5.08 -1.87 -1.69 114.58 121.84 1xx8 h GLU 47 Ca -0.49 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 1xx8 h GLU 47 Cb 1.18 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1xx8 h GLU 47 CO 0.61 0.28 -0.47 -0.22 -1.00 0.00 0.00 179.01 178.21 1xx8 h LYS 48 N 0.03 0.61 -0.22 2.33 3.11 -1.94 -3.00 116.57 117.50 1xx8 h LYS 48 Ca 0.00 -0.34 0.00 0.00 -2.81 0.00 0.00 60.65 57.50 1xx8 h LYS 48 Cb 0.45 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1xx8 h LYS 48 CO 0.03 0.95 0.00 -0.25 -2.81 0.00 0.00 179.45 177.37 1xx8 n ASP 49 N -4.00 1.62 -4.64 4.20 9.92 -0.73 -4.86 116.55 118.06 1xx8 n ASP 49 Ca -0.02 -1.80 -0.43 0.00 -0.53 0.00 0.00 54.79 52.01 1xx8 n ASP 49 Cb 0.56 -0.14 -0.02 0.00 -0.64 0.00 0.00 41.12 40.88 1xx8 n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xx8 s ALA 50 N -1.72 3.42 -0.36 2.24 0.00 -0.71 -4.88 121.76 119.75 1xx8 s ALA 50 Ca 0.29 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1xx8 s ALA 50 Cb 0.15 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1xx8 s ALA 50 CO 0.22 -1.66 1.41 -1.25 0.00 0.00 0.00 175.76 174.48 1xx8 s PRO 51 N 4.13 3.69 0.00 0.00 0.04 -1.26 -4.12 135.00 137.48 1xx8 s PRO 51 Ca 0.60 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1xx8 s PRO 51 Cb -0.20 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1xx8 s PRO 51 CO 0.23 -1.42 0.00 1.17 0.04 0.00 0.00 177.00 177.02 1xx8 n LYS 52 N 7.83 0.00 -0.38 4.56 3.00 -1.25 0.01 118.16 131.92 1xx8 n LYS 52 Ca 0.16 0.00 0.30 0.00 -0.00 0.00 0.00 58.31 58.78 1xx8 n LYS 52 Cb 0.47 0.00 0.57 0.00 0.00 0.00 0.00 35.03 36.07 1xx8 n LYS 52 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1xx8 h GLU 53 N 0.00 0.19 0.05 1.64 4.57 -1.66 0.51 114.58 119.88 1xx8 h GLU 53 Ca 0.00 -0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 57.88 1xx8 h GLU 53 Cb 0.00 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1xx8 h GLU 53 CO 0.00 0.13 -1.56 1.25 -1.18 0.00 0.00 179.01 177.64 1xx8 h LEU 54 N 0.20 0.16 -1.38 1.64 5.85 -0.58 -2.91 115.31 118.29 1xx8 h LEU 54 Ca 0.76 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 59.15 1xx8 h LEU 54 Cb 2.11 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 1xx8 h LEU 54 CO -0.48 1.23 -0.31 0.25 -0.34 0.00 0.00 178.44 178.79 1xx8 h LEU 55 N 0.03 0.00 -0.69 2.25 6.46 -0.71 -1.28 115.31 121.37 1xx8 h LEU 55 Ca -0.24 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.38 1xx8 h LEU 55 Cb 1.97 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.89 1xx8 h LEU 55 CO 0.11 0.31 -0.49 0.44 -0.62 0.00 0.00 178.44 178.19 1xx8 h ASP 56 N 0.00 0.45 0.00 1.25 3.32 -0.19 -3.30 116.42 117.95 1xx8 h ASP 56 Ca -0.00 -0.22 -0.66 0.00 0.02 0.00 0.00 57.03 56.17 1xx8 h ASP 56 Cb 0.58 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.02 1xx8 h ASP 56 CO 0.04 0.87 3.57 0.23 -1.72 0.00 0.00 179.24 182.23 1xx8 n MET 57 N -3.97 3.34 0.00 3.56 2.81 -0.48 -2.71 117.12 119.66 1xx8 n MET 57 Ca -0.02 -2.24 0.00 0.00 -1.81 0.00 0.00 57.70 53.62 1xx8 n MET 57 Cb 0.55 -2.90 0.00 0.00 -0.71 0.00 0.00 33.22 30.16 1xx8 n MET 57 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1xx8 n LEU 58 N 4.33 0.00 0.32 4.03 4.77 -1.24 -4.76 117.00 124.46 1xx8 n LEU 58 Ca 0.69 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.88 1xx8 n LEU 58 Cb 0.27 0.00 1.12 0.00 -2.33 0.00 0.00 43.42 42.48 1xx8 n LEU 58 CO 0.86 0.00 1.17 0.00 -1.33 0.00 0.00 177.39 178.09 1xx8 h ALA 59 N 0.00 1.18 -2.50 -1.18 0.00 -1.62 -3.32 119.26 111.83 1xx8 h ALA 59 Ca 0.00 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1xx8 h ALA 59 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1xx8 h ALA 59 CO 0.00 -0.01 0.28 -0.98 0.00 0.00 0.00 179.25 178.54 1xx8 s ARG 60 N -4.31 4.46 -1.19 0.00 1.70 -1.26 -3.29 118.95 115.06 1xx8 s ARG 60 Ca -0.05 1.15 -0.05 0.00 -0.47 0.00 0.00 55.73 56.31 1xx8 s ARG 60 Cb 0.14 -3.48 0.01 0.00 -0.57 0.00 0.00 34.95 31.04 1xx8 s ARG 60 CO 0.45 -0.07 1.02 0.00 -1.08 0.00 0.00 175.30 175.62 1xx8 n ALA 61 N 4.15 -1.51 -0.04 7.88 0.00 -1.26 -4.94 120.51 124.78 1xx8 n ALA 61 Ca 0.03 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.51 1xx8 n ALA 61 Cb 0.51 -3.85 -0.08 0.00 0.00 0.00 0.00 19.45 16.02 1xx8 n ALA 61 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xx8 h GLU 62 N -2.17 0.37 -1.48 0.00 4.81 -1.64 -3.42 114.58 111.05 1xx8 h GLU 62 Ca -0.54 -0.25 -0.29 0.00 -0.13 0.00 0.00 59.36 58.15 1xx8 h GLU 62 Cb 1.33 0.04 -0.24 0.00 0.63 0.00 0.00 28.75 30.51 1xx8 h GLU 62 CO 0.49 0.86 -0.65 -0.98 -0.73 0.00 0.00 179.01 178.00 1xx8 s ARG 63 N -3.91 0.99 0.00 1.92 1.04 -1.26 -4.86 118.95 112.87 1xx8 s ARG 63 Ca -0.14 -1.34 0.00 0.00 -1.04 0.00 0.00 55.73 53.21 1xx8 s ARG 63 Cb 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 34.95 32.45 1xx8 s ARG 63 CO 0.77 -1.33 0.00 -1.91 -0.04 0.00 0.00 175.30 172.79 1xx8 n GLU 64 N 3.06 0.00 -3.34 3.89 2.13 -1.26 -5.05 120.64 120.07 1xx8 n GLU 64 Ca 0.21 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.94 1xx8 n GLU 64 Cb 0.53 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.16 1xx8 n GLU 64 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1xx8 s LYS 65 N -0.78 0.37 0.00 5.31 2.20 -1.26 -5.16 119.74 120.41 1xx8 s LYS 65 Ca 0.00 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1xx8 s LYS 65 Cb 0.00 -0.42 0.00 0.00 -1.51 0.00 0.00 37.83 35.90 1xx8 s LYS 65 CO 0.00 -0.71 0.00 0.36 -0.36 0.00 0.00 175.35 174.64