#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx8 s VAL 2 N 0.00 5.19 0.07 3.17 -7.23 -1.26 -4.85 120.40 115.49 1xx8 s VAL 2 Ca 0.00 0.12 0.05 0.00 -1.81 0.00 0.00 61.98 60.34 1xx8 s VAL 2 Cb 0.00 -3.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.49 1xx8 s VAL 2 CO 0.00 0.34 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.46 1xx8 s LYS 3 N 1.16 0.79 -0.41 4.82 -0.14 -1.24 -4.89 119.74 119.83 1xx8 s LYS 3 Ca 0.07 -0.94 -0.09 0.00 -1.36 0.00 0.00 55.97 53.65 1xx8 s LYS 3 Cb -0.14 -0.76 0.07 0.00 -1.68 0.00 0.00 37.83 35.32 1xx8 s LYS 3 CO 0.05 0.17 0.24 0.08 -0.76 0.00 0.00 175.35 175.13 1xx8 s VAL 4 N -1.31 4.18 -0.23 3.17 1.01 -1.26 -4.25 120.40 121.71 1xx8 s VAL 4 Ca -0.03 -1.36 -0.08 0.00 0.00 0.00 0.00 61.98 60.51 1xx8 s VAL 4 Cb -0.10 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1xx8 s VAL 4 CO 0.02 -0.46 0.08 -0.54 0.00 0.00 0.00 175.10 174.20 1xx8 s LYS 5 N 1.42 3.80 0.09 2.72 1.02 -1.26 -2.89 119.74 124.64 1xx8 s LYS 5 Ca 0.03 -0.42 -0.11 0.00 0.02 0.00 0.00 55.97 55.49 1xx8 s LYS 5 Cb -0.22 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1xx8 s LYS 5 CO 0.02 -0.04 0.26 -0.59 -0.92 0.00 0.00 175.35 174.08 1xx8 s PHE 6 N 1.23 0.02 -0.16 3.18 -0.71 -0.67 -4.83 117.98 116.03 1xx8 s PHE 6 Ca 0.05 -0.37 -0.13 0.00 -1.04 0.00 0.00 56.93 55.44 1xx8 s PHE 6 Cb -0.14 0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.66 1xx8 s PHE 6 CO 0.04 -0.57 0.25 -1.59 -1.34 0.00 0.00 175.22 172.01 1xx8 s LYS 7 N -3.58 4.19 -0.02 1.99 -2.85 -1.26 -1.05 119.74 117.16 1xx8 s LYS 7 Ca 0.02 0.02 -0.00 0.00 -1.00 0.00 0.00 55.97 55.02 1xx8 s LYS 7 Cb 0.03 -3.41 0.03 0.00 -2.06 0.00 0.00 37.83 32.42 1xx8 s LYS 7 CO -0.10 0.29 0.03 -0.47 0.10 0.00 0.00 175.35 175.20 1xx8 s TYR 8 N 0.33 0.04 -1.31 1.78 5.04 0.19 -4.21 117.35 119.20 1xx8 s TYR 8 Ca 0.15 0.13 -0.08 0.00 -2.44 0.00 0.00 57.07 54.83 1xx8 s TYR 8 Cb -0.13 -0.25 -0.00 0.00 0.35 0.00 0.00 41.96 41.94 1xx8 s TYR 8 CO 0.03 -0.09 0.55 0.36 -1.34 0.00 0.00 175.55 175.06 1xx8 n LYS 9 N 4.20 -2.63 -0.88 4.97 -0.00 -1.26 -0.86 118.16 121.70 1xx8 n LYS 9 Ca -0.28 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1xx8 n LYS 9 Cb 0.50 -4.35 0.00 0.00 -0.00 0.00 0.00 35.03 31.18 1xx8 n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xx8 n GLY 10 N -1.88 0.02 3.24 2.58 0.00 -1.26 -4.95 105.19 102.94 1xx8 n GLY 10 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.68 1.53 -0.23 1.61 2.12 -0.04 -5.09 118.70 116.91 1xx8 s GLU 11 Ca 0.00 -0.86 -0.25 0.00 0.36 0.00 0.00 54.97 54.23 1xx8 s GLU 11 Cb 0.00 -1.57 -0.01 0.00 0.26 0.00 0.00 34.13 32.82 1xx8 s GLU 11 CO 0.00 0.41 0.84 -2.00 -0.54 0.00 0.00 175.26 173.98 1xx8 s GLU 12 N -0.87 4.21 0.33 4.30 2.12 -1.26 0.55 118.70 128.08 1xx8 s GLU 12 Ca 0.08 0.98 0.03 0.00 0.36 0.00 0.00 54.97 56.43 1xx8 s GLU 12 Cb -0.08 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1xx8 s GLU 12 CO 0.01 -0.50 0.14 -1.59 -0.54 0.00 0.00 175.26 172.78 1xx8 s LYS 13 N 2.76 1.69 -0.12 4.30 -2.85 -0.21 -4.97 119.74 120.33 1xx8 s LYS 13 Ca 0.36 -1.98 -0.01 0.00 -1.00 0.00 0.00 55.97 53.34 1xx8 s LYS 13 Cb -0.15 -0.31 0.03 0.00 -2.06 0.00 0.00 37.83 35.34 1xx8 s LYS 13 CO 0.08 -0.43 -0.06 -1.21 0.10 0.00 0.00 175.35 173.82 1xx8 s GLU 14 N -3.79 1.44 -0.24 1.78 2.02 -1.26 -1.67 118.70 116.98 1xx8 s GLU 14 Ca 0.33 -0.29 -0.01 0.00 0.02 0.00 0.00 54.97 55.02 1xx8 s GLU 14 Cb 0.05 -1.65 0.07 0.00 0.10 0.00 0.00 34.13 32.69 1xx8 s GLU 14 CO 0.17 -0.31 0.01 0.08 0.02 0.00 0.00 175.26 175.23 1xx8 s VAL 15 N 1.71 1.06 0.48 2.63 1.01 -1.14 -5.02 120.40 121.13 1xx8 s VAL 15 Ca 0.04 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 1xx8 s VAL 15 Cb -0.13 -1.52 -0.07 0.00 0.00 0.00 0.00 36.38 34.65 1xx8 s VAL 15 CO -0.08 -0.27 1.16 -1.81 0.00 0.00 0.00 175.10 174.09 1xx8 s ASP 16 N 1.59 6.06 0.00 3.32 1.01 -1.26 -4.60 116.67 122.79 1xx8 s ASP 16 Ca -0.00 2.27 0.00 0.00 0.71 0.00 0.00 52.55 55.53 1xx8 s ASP 16 Cb -0.18 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1xx8 s ASP 16 CO -0.11 -0.99 0.29 0.35 0.21 0.00 0.00 175.17 174.93 1xx8 n THR 17 N -0.69 0.00 0.20 -1.27 -2.24 -1.26 -2.27 114.28 106.75 1xx8 n THR 17 Ca 0.08 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.90 1xx8 n THR 17 Cb 0.49 -0.24 0.40 0.00 -2.10 0.00 0.00 70.33 68.88 1xx8 n THR 17 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xx8 h SER 18 N 0.36 0.00 -2.30 3.42 4.64 -2.01 -3.17 113.55 114.50 1xx8 h SER 18 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 1xx8 h SER 18 Cb 0.14 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.89 1xx8 h SER 18 CO 0.00 0.32 0.26 0.29 -0.87 0.00 0.00 176.83 176.83 1xx8 n LYS 19 N -4.14 4.38 -4.41 4.77 5.02 -0.96 -5.01 118.16 117.81 1xx8 n LYS 19 Ca -0.02 -4.75 -0.26 0.00 -2.02 0.00 0.00 58.31 51.26 1xx8 n LYS 19 Cb 0.36 -2.37 -0.12 0.00 -0.02 0.00 0.00 35.03 32.89 1xx8 n LYS 19 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xx8 s ILE 20 N -4.25 2.29 0.00 -0.18 -1.16 -1.20 -2.94 121.20 113.76 1xx8 s ILE 20 Ca 0.43 -2.03 0.00 0.00 -0.51 0.00 0.00 60.65 58.54 1xx8 s ILE 20 Cb 0.22 -2.09 0.00 0.00 0.61 0.00 0.00 42.46 41.19 1xx8 s ILE 20 CO -0.12 -0.15 0.00 0.29 -2.81 0.00 0.00 174.94 172.15 1xx8 n LYS 21 N 0.24 0.00 -4.20 3.50 5.02 0.10 -4.92 118.16 117.90 1xx8 n LYS 21 Ca -0.12 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.00 1xx8 n LYS 21 Cb 0.56 -0.08 -0.15 0.00 -0.02 0.00 0.00 35.03 35.35 1xx8 n LYS 21 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xx8 s LYS 22 N -0.95 0.50 -0.07 1.97 2.36 -1.24 -4.99 119.74 117.31 1xx8 s LYS 22 Ca 0.00 -0.21 0.02 0.00 -2.55 0.00 0.00 55.97 53.23 1xx8 s LYS 22 Cb 0.00 -0.48 -0.03 0.00 -1.05 0.00 0.00 37.83 36.27 1xx8 s LYS 22 CO 0.00 0.12 -0.11 0.54 1.55 0.00 0.00 175.35 177.45 1xx8 s VAL 23 N -0.09 3.32 0.00 4.02 0.11 -1.26 -0.62 120.40 125.88 1xx8 s VAL 23 Ca 0.02 -0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 58.42 1xx8 s VAL 23 Cb -0.03 -2.34 -0.01 0.00 -1.53 0.00 0.00 36.38 32.47 1xx8 s VAL 23 CO -0.00 0.58 0.06 0.00 -3.33 0.00 0.00 175.10 172.41 1xx8 s ALA 24 N -0.54 -0.12 -0.10 1.54 0.00 -0.53 -4.99 121.76 117.02 1xx8 s ALA 24 Ca 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 1xx8 s ALA 24 Cb -0.12 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1xx8 s ALA 24 CO 0.02 -0.16 0.01 0.50 0.00 0.00 0.00 175.76 176.13 1xx8 s ARG 25 N -1.15 3.10 0.00 0.00 3.52 -1.26 -0.14 118.95 123.02 1xx8 s ARG 25 Ca -0.12 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1xx8 s ARG 25 Cb -0.07 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1xx8 s ARG 25 CO 0.00 0.66 0.00 1.33 -0.81 0.00 0.00 175.30 176.48 1xx8 n VAL 26 N 2.28 0.00 0.03 7.11 0.24 -0.94 -4.93 118.33 122.12 1xx8 n VAL 26 Ca -0.19 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.11 1xx8 n VAL 26 Cb 0.54 -0.54 -0.00 0.00 -1.47 0.00 0.00 33.84 32.36 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 2.94 -0.05 0.29 7.63 0.00 -1.26 -4.91 105.19 109.83 1xx8 n GLY 27 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.37 0.48 -4.31 1.61 5.02 -1.26 -5.07 118.16 111.26 1xx8 n LYS 28 Ca -0.01 -1.30 -0.16 0.00 -2.02 0.00 0.00 58.31 54.82 1xx8 n LYS 28 Cb 0.03 -0.75 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 1xx8 n LYS 28 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1xx8 s MET 29 N -0.70 1.36 -0.19 1.97 -1.94 -1.26 -3.65 119.30 114.89 1xx8 s MET 29 Ca 0.07 -1.72 0.00 0.00 -1.71 0.00 0.00 55.69 52.33 1xx8 s MET 29 Cb 0.06 -0.32 0.02 0.00 2.01 0.00 0.00 34.83 36.60 1xx8 s MET 29 CO 0.01 -0.24 -0.17 0.08 -0.01 0.00 0.00 175.02 174.69 1xx8 s VAL 30 N -3.69 2.32 -0.40 -6.03 1.01 0.11 -2.21 120.40 111.51 1xx8 s VAL 30 Ca 0.34 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1xx8 s VAL 30 Cb 0.07 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.50 1xx8 s VAL 30 CO 0.11 0.50 0.24 -0.94 0.00 0.00 0.00 175.10 175.02 1xx8 s SER 31 N 1.32 5.73 0.26 3.32 1.04 0.80 -0.39 113.70 125.78 1xx8 s SER 31 Ca 0.05 -1.21 0.08 0.00 0.48 0.00 0.00 55.95 55.35 1xx8 s SER 31 Cb -0.13 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1xx8 s SER 31 CO -0.11 -0.46 0.08 0.72 0.98 0.00 0.00 173.24 174.45 1xx8 s PHE 32 N 1.51 2.87 -0.03 5.02 -0.71 0.11 -1.45 117.98 125.30 1xx8 s PHE 32 Ca 0.02 -0.17 0.05 0.00 -1.04 0.00 0.00 56.93 55.80 1xx8 s PHE 32 Cb -0.21 -1.29 -0.02 0.00 -1.21 0.00 0.00 43.02 40.29 1xx8 s PHE 32 CO 0.05 0.58 -0.19 0.95 -1.34 0.00 0.00 175.22 175.27 1xx8 s THR 33 N -2.22 2.67 0.00 -4.49 -4.23 0.21 -1.40 115.64 106.18 1xx8 s THR 33 Ca 0.32 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1xx8 s THR 33 Cb -0.07 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1xx8 s THR 33 CO 0.22 0.57 0.00 0.00 -0.54 0.00 0.00 174.62 174.87 1xx8 n TYR 34 N 2.29 0.00 -3.66 3.99 4.11 0.17 0.01 117.16 124.08 1xx8 n TYR 34 Ca -0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.66 1xx8 n TYR 34 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.78 1xx8 n TYR 34 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 1xx8 s ASP 35 N 1.00 -0.74 -0.29 9.48 1.47 -1.15 -1.10 116.67 125.34 1xx8 s ASP 35 Ca 0.00 1.26 0.02 0.00 1.18 0.00 0.00 52.55 55.01 1xx8 s ASP 35 Cb 0.00 1.40 0.37 0.00 -0.34 0.00 0.00 42.92 44.35 1xx8 s ASP 35 CO 0.00 -0.22 1.63 -0.67 0.68 0.00 0.00 175.17 176.59 1xx8 n ASP 36 N 4.72 4.05 0.00 2.11 2.03 0.07 -4.89 116.55 124.65 1xx8 n ASP 36 Ca -0.17 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.13 1xx8 n ASP 36 Cb 0.54 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 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 -0.38 0.00 -0.00 1.67 5.03 -1.26 -3.62 115.26 116.70 1xx8 n ASN 37 Ca 0.36 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.64 1xx8 n ASN 37 Cb 1.09 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.72 1xx8 n ASN 37 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1xx8 h GLY 38 N 0.00 0.24 -7.20 7.41 0.00 -2.01 -3.42 103.07 98.10 1xx8 h GLY 38 Ca 0.00 -0.52 -0.67 0.00 0.00 0.00 0.00 47.33 46.14 1xx8 h GLY 38 CO 0.00 0.46 0.30 0.54 0.00 0.00 0.00 176.54 177.84 1xx8 s LYS 39 N -2.71 3.10 -0.29 4.80 -0.14 -1.24 -5.00 119.74 118.26 1xx8 s LYS 39 Ca -0.15 -1.02 -0.32 0.00 -1.36 0.00 0.00 55.97 53.12 1xx8 s LYS 39 Cb 0.00 -4.22 -0.09 0.00 -1.68 0.00 0.00 37.83 31.85 1xx8 s LYS 39 CO 0.77 -1.60 2.20 2.41 -0.76 0.00 0.00 175.35 178.37 1xx8 n THR 40 N 5.74 0.25 -3.19 2.17 -1.04 -1.26 -0.75 114.28 116.20 1xx8 n THR 40 Ca -0.06 -0.33 -0.36 0.00 -2.04 0.00 0.00 64.05 61.26 1xx8 n THR 40 Cb 0.44 -2.00 -0.06 0.00 -1.82 0.00 0.00 70.33 66.89 1xx8 n THR 40 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1xx8 s GLY 41 N 7.64 2.54 -0.08 3.41 0.00 -0.25 -4.92 107.32 115.66 1xx8 s GLY 41 Ca 1.06 0.06 0.01 0.00 0.00 0.00 0.00 44.72 45.85 1xx8 s GLY 41 CO 0.44 0.38 -0.10 -1.60 0.00 0.00 0.00 173.10 172.22 1xx8 s ARG 42 N -2.03 1.54 0.06 2.90 3.00 -1.26 -0.65 118.95 122.50 1xx8 s ARG 42 Ca 0.42 -0.32 0.02 0.00 -1.00 0.00 0.00 55.73 54.86 1xx8 s ARG 42 Cb -0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 34.95 33.34 1xx8 s ARG 42 CO 0.20 -0.10 -0.08 0.20 0.00 0.00 0.00 175.30 175.52 1xx8 s GLY 43 N 1.11 0.59 -0.15 8.12 0.00 -0.50 -4.92 107.32 111.57 1xx8 s GLY 43 Ca -0.06 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.75 1xx8 s GLY 43 CO -0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 173.10 172.08 1xx8 s ALA 44 N -1.83 1.36 -0.10 3.20 0.00 -1.26 -0.71 121.76 122.43 1xx8 s ALA 44 Ca -0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1xx8 s ALA 44 Cb -0.07 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1xx8 s ALA 44 CO -0.00 -0.73 -0.03 0.08 0.00 0.00 0.00 175.76 175.07 1xx8 s VAL 45 N 1.69 3.98 0.01 0.00 1.01 0.48 -4.26 120.40 123.31 1xx8 s VAL 45 Ca 0.02 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1xx8 s VAL 45 Cb -0.15 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1xx8 s VAL 45 CO -0.08 0.57 1.32 -0.55 0.00 0.00 0.00 175.10 176.37 1xx8 s SER 46 N -0.54 6.93 0.45 3.32 0.15 -1.26 0.05 113.70 122.80 1xx8 s SER 46 Ca 0.09 2.06 0.18 0.00 0.70 0.00 0.00 55.95 58.97 1xx8 s SER 46 Cb -0.12 -2.57 1.05 0.00 -1.71 0.00 0.00 66.02 62.67 1xx8 s SER 46 CO 0.02 -0.64 1.96 1.05 1.20 0.00 0.00 173.24 176.84 1xx8 h GLU 47 N 7.44 0.00 0.00 5.44 4.11 -1.89 0.69 114.58 130.37 1xx8 h GLU 47 Ca -0.38 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.00 1xx8 h GLU 47 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1xx8 h GLU 47 CO 0.88 0.22 -0.22 1.57 0.07 0.00 0.00 179.01 181.53 1xx8 h LYS 48 N 0.00 0.00 -0.82 1.06 2.10 -1.91 -3.08 116.57 113.91 1xx8 h LYS 48 Ca -0.00 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.15 1xx8 h LYS 48 Cb 0.43 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.49 1xx8 h LYS 48 CO 0.03 0.22 0.37 -0.25 -2.00 0.00 0.00 179.45 177.82 1xx8 n ASP 49 N -3.30 4.96 -4.72 7.07 9.92 0.19 -5.02 116.55 125.64 1xx8 n ASP 49 Ca 0.01 -3.73 -0.42 0.00 -0.53 0.00 0.00 54.79 50.12 1xx8 n ASP 49 Cb 0.47 -0.78 -0.03 0.00 -0.64 0.00 0.00 41.12 40.14 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 -3.51 3.38 -0.20 2.24 0.00 -0.92 -4.72 121.76 118.04 1xx8 s ALA 50 Ca 0.56 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 53.33 1xx8 s ALA 50 Cb 0.46 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 1xx8 s ALA 50 CO 0.03 -0.37 2.94 -0.35 0.00 0.00 0.00 175.76 178.01 1xx8 n PRO 51 N 3.42 1.99 0.00 0.00 -0.05 -1.26 -4.89 135.00 134.21 1xx8 n PRO 51 Ca 0.07 -1.41 0.00 0.00 -0.05 0.00 0.00 63.50 62.11 1xx8 n PRO 51 Cb 0.46 -1.88 0.00 0.00 -0.05 0.00 0.00 33.50 32.03 1xx8 n PRO 51 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1xx8 n LYS 52 N 1.56 0.00 -0.27 0.54 3.00 -1.26 -3.68 118.16 118.04 1xx8 n LYS 52 Ca 0.38 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.62 1xx8 n LYS 52 Cb 0.70 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.67 1xx8 n LYS 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1xx8 n GLU 53 N 0.00 -0.28 0.17 1.64 0.00 -1.26 -1.08 120.64 119.83 1xx8 n GLU 53 Ca 0.00 0.97 0.08 0.00 0.00 0.00 0.00 57.16 58.21 1xx8 n GLU 53 Cb 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 31.44 30.10 1xx8 n GLU 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1xx8 h LEU 54 N 0.00 0.00 -1.33 4.31 5.85 -1.83 -2.85 115.31 119.46 1xx8 h LEU 54 Ca 0.11 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1xx8 h LEU 54 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1xx8 h LEU 54 CO -0.60 0.22 -0.16 0.25 -0.34 0.00 0.00 178.44 177.81 1xx8 h LEU 55 N 0.00 0.25 0.02 2.25 6.46 -1.45 -0.61 115.31 122.23 1xx8 h LEU 55 Ca -0.01 -0.06 -0.27 0.00 -0.12 0.00 0.00 57.88 57.42 1xx8 h LEU 55 Cb 1.18 -0.07 0.02 0.00 -0.73 0.00 0.00 40.66 41.06 1xx8 h LEU 55 CO 0.03 0.43 -1.10 -0.78 -0.62 0.00 0.00 178.44 176.40 1xx8 h ASP 56 N 0.24 0.90 0.23 1.25 3.58 -1.26 -3.11 116.42 118.26 1xx8 h ASP 56 Ca 0.05 -0.75 -0.11 0.00 0.42 0.00 0.00 57.03 56.64 1xx8 h ASP 56 Cb 0.43 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1xx8 h ASP 56 CO 0.03 1.55 -0.42 0.24 -2.88 0.00 0.00 179.24 177.75 1xx8 h MET 57 N 0.36 0.25 0.00 0.28 2.86 -1.32 -2.35 114.93 115.02 1xx8 h MET 57 Ca -0.14 -0.12 -0.16 0.00 -2.06 0.00 0.00 59.70 57.21 1xx8 h MET 57 Cb 1.75 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.39 1xx8 h MET 57 CO 0.21 0.63 -0.77 1.25 1.06 0.00 0.00 176.91 179.29 1xx8 h LEU 58 N 0.21 0.00 -1.48 1.22 7.12 -1.22 -2.85 115.31 118.30 1xx8 h LEU 58 Ca 0.02 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.99 1xx8 h LEU 58 Cb 0.83 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 1xx8 h LEU 58 CO 0.07 0.77 -0.19 0.00 -0.13 0.00 0.00 178.44 178.96 1xx8 h ALA 59 N 1.23 1.15 0.00 1.25 0.00 -1.36 -0.45 119.26 121.08 1xx8 h ALA 59 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xx8 h ALA 59 Cb 1.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1xx8 h ALA 59 CO 0.10 0.24 0.00 0.54 0.00 0.00 0.00 179.25 180.13 1xx8 n ARG 60 N -3.54 0.37 -0.02 0.00 1.74 -1.01 -2.04 116.66 112.15 1xx8 n ARG 60 Ca -0.01 0.04 0.07 0.00 -0.77 0.00 0.00 57.85 57.18 1xx8 n ARG 60 Cb 0.35 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.14 1xx8 n ARG 60 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xx8 n ALA 61 N -1.29 2.54 0.19 7.54 0.00 -0.27 -4.25 120.51 124.98 1xx8 n ALA 61 Ca 0.12 -0.58 0.04 0.00 0.00 0.00 0.00 53.44 53.02 1xx8 n ALA 61 Cb 0.21 -0.58 0.38 0.00 0.00 0.00 0.00 19.45 19.45 1xx8 n ALA 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xx8 h GLU 62 N 0.00 0.00 0.00 0.00 4.39 -0.70 -3.41 114.58 114.86 1xx8 h GLU 62 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1xx8 h GLU 62 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1xx8 h GLU 62 CO 0.00 0.37 0.00 0.54 -1.16 0.00 0.00 179.01 178.77 1xx8 n ARG 63 N -3.89 0.00 0.00 2.33 1.74 -1.06 -4.64 116.66 111.14 1xx8 n ARG 63 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1xx8 n ARG 63 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1xx8 n ARG 63 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xx8 n GLU 64 N 0.00 0.00 -0.27 5.56 1.02 -1.26 -1.00 120.64 124.70 1xx8 n GLU 64 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1xx8 n GLU 64 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.53 1xx8 n GLU 64 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1xx8 n LYS 65 N 14.00 2.05 0.00 3.49 -0.00 -1.26 -5.17 118.16 131.27 1xx8 n LYS 65 Ca 0.00 -0.90 0.12 0.00 -0.00 0.00 0.00 58.31 57.53 1xx8 n LYS 65 Cb 0.00 -1.69 0.10 0.00 -0.00 0.00 0.00 35.03 33.44 1xx8 n LYS 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57