#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 1.25 -4.08 1.12 3.14 -1.26 -4.99 118.33 113.51 1xx8 n VAL 2 Ca 0.00 -1.47 -0.04 0.00 -2.96 0.00 0.00 64.34 59.87 1xx8 n VAL 2 Cb 0.00 0.11 -0.01 0.00 -1.06 0.00 0.00 33.84 32.87 1xx8 n VAL 2 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1xx8 n LYS 3 N -0.91 0.54 -3.46 1.45 5.02 -1.26 -3.90 118.16 115.65 1xx8 n LYS 3 Ca 0.09 -0.63 -0.37 0.00 -2.02 0.00 0.00 58.31 55.39 1xx8 n LYS 3 Cb 0.58 0.41 -0.06 0.00 -0.02 0.00 0.00 35.03 35.94 1xx8 n LYS 3 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1xx8 s VAL 4 N -2.00 4.97 -0.21 -0.18 -7.23 -1.26 -4.79 120.40 109.70 1xx8 s VAL 4 Ca 0.05 0.79 0.13 0.00 -1.81 0.00 0.00 61.98 61.15 1xx8 s VAL 4 Cb 0.00 -3.72 -0.23 0.00 0.56 0.00 0.00 36.38 32.99 1xx8 s VAL 4 CO 0.04 0.44 0.01 0.29 -0.31 0.00 0.00 175.10 175.56 1xx8 n LYS 5 N 1.37 0.68 0.00 4.82 4.76 -1.23 -3.86 118.16 124.70 1xx8 n LYS 5 Ca -0.10 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1xx8 n LYS 5 Cb 0.52 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1xx8 n LYS 5 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1xx8 n PHE 6 N -2.91 0.00 -3.59 2.13 -1.74 -1.26 -1.57 117.46 108.52 1xx8 n PHE 6 Ca -0.36 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.51 1xx8 n PHE 6 Cb 1.11 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 42.05 1xx8 n PHE 6 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 1xx8 s LYS 7 N 0.00 0.44 -0.04 3.97 0.00 -1.23 -4.69 119.74 118.19 1xx8 s LYS 7 Ca 0.00 0.86 -0.02 0.00 0.00 0.00 0.00 55.97 56.81 1xx8 s LYS 7 Cb 0.00 0.26 0.03 0.00 0.00 0.00 0.00 37.83 38.12 1xx8 s LYS 7 CO 0.00 -0.11 0.07 -0.47 0.00 0.00 0.00 175.35 174.84 1xx8 s TYR 8 N 1.82 0.01 0.00 1.78 5.04 -0.25 -4.07 117.35 121.68 1xx8 s TYR 8 Ca -0.07 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1xx8 s TYR 8 Cb -0.05 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.88 1xx8 s TYR 8 CO -0.17 -0.17 0.00 1.63 -1.34 0.00 0.00 175.55 175.50 1xx8 n LYS 9 N 4.98 0.00 0.00 4.97 4.76 -1.26 -1.03 118.16 130.58 1xx8 n LYS 9 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1xx8 n LYS 9 Cb 0.50 -3.20 0.00 0.00 -1.84 0.00 0.00 35.03 30.49 1xx8 n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xx8 n GLY 10 N -2.00 1.23 3.32 0.72 0.00 -1.26 -5.11 105.19 102.09 1xx8 n GLY 10 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.47 1.25 -0.13 1.61 -6.30 -0.20 -5.12 118.70 109.33 1xx8 s GLU 11 Ca 0.00 -1.40 -0.23 0.00 -2.50 0.00 0.00 54.97 50.84 1xx8 s GLU 11 Cb 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 34.13 32.83 1xx8 s GLU 11 CO 0.00 0.25 0.72 -1.21 0.02 0.00 0.00 175.26 175.04 1xx8 s GLU 12 N -2.84 4.33 0.39 4.30 2.02 -1.26 -1.09 118.70 124.56 1xx8 s GLU 12 Ca 0.15 0.85 0.04 0.00 0.02 0.00 0.00 54.97 56.03 1xx8 s GLU 12 Cb -0.05 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 1xx8 s GLU 12 CO 0.06 -0.14 0.05 0.15 0.02 0.00 0.00 175.26 175.41 1xx8 s LYS 13 N 1.52 1.88 -0.03 1.61 -0.14 -0.61 -4.99 119.74 118.97 1xx8 s LYS 13 Ca 0.35 -2.10 -0.01 0.00 -1.36 0.00 0.00 55.97 52.85 1xx8 s LYS 13 Cb -0.17 -1.10 0.03 0.00 -1.68 0.00 0.00 37.83 34.91 1xx8 s LYS 13 CO 0.14 -0.25 0.05 -1.21 -0.76 0.00 0.00 175.35 173.32 1xx8 s GLU 14 N -3.81 -0.03 0.02 1.68 2.02 -1.25 -3.58 118.70 113.76 1xx8 s GLU 14 Ca 0.28 0.25 0.07 0.00 0.02 0.00 0.00 54.97 55.59 1xx8 s GLU 14 Cb 0.06 -0.28 -0.02 0.00 0.10 0.00 0.00 34.13 33.99 1xx8 s GLU 14 CO 0.14 -0.20 -0.21 0.54 0.02 0.00 0.00 175.26 175.55 1xx8 s VAL 15 N 1.28 1.68 0.48 2.63 0.11 -1.26 -5.04 120.40 120.28 1xx8 s VAL 15 Ca -0.07 -1.11 -0.18 0.00 -2.93 0.00 0.00 61.98 57.70 1xx8 s VAL 15 Cb -0.13 -1.44 -0.09 0.00 -1.53 0.00 0.00 36.38 33.19 1xx8 s VAL 15 CO -0.03 0.30 0.97 -1.81 -3.33 0.00 0.00 175.10 171.19 1xx8 s ASP 16 N -0.95 6.73 0.00 3.54 1.01 -1.26 -4.56 116.67 121.18 1xx8 s ASP 16 Ca 0.08 1.60 0.17 0.00 0.71 0.00 0.00 52.55 55.11 1xx8 s ASP 16 Cb -0.09 -2.52 0.84 0.00 1.01 0.00 0.00 42.92 42.17 1xx8 s ASP 16 CO 0.01 -0.50 1.49 0.41 0.21 0.00 0.00 175.17 176.79 1xx8 n THR 17 N -1.24 0.53 -0.02 -1.27 -1.04 -1.26 -2.33 114.28 107.65 1xx8 n THR 17 Ca 0.07 0.13 -0.13 0.00 -2.04 0.00 0.00 64.05 62.08 1xx8 n THR 17 Cb 0.54 -0.85 -0.10 0.00 -1.82 0.00 0.00 70.33 68.09 1xx8 n THR 17 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1xx8 h SER 18 N 0.00 -0.03 -1.19 8.00 4.64 -2.05 -3.35 113.55 119.56 1xx8 h SER 18 Ca 0.00 -0.61 -0.70 0.00 -0.47 0.00 0.00 61.79 60.00 1xx8 h SER 18 Cb 0.16 0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 62.12 1xx8 h SER 18 CO 0.00 0.62 2.00 0.29 -0.87 0.00 0.00 176.83 178.87 1xx8 n LYS 19 N -4.79 4.27 -3.77 4.77 4.01 -0.98 -4.83 118.16 116.83 1xx8 n LYS 19 Ca -0.09 -3.33 -0.14 0.00 -0.51 0.00 0.00 58.31 54.24 1xx8 n LYS 19 Cb 0.32 -2.54 -0.14 0.00 -0.51 0.00 0.00 35.03 32.16 1xx8 n LYS 19 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1xx8 s ILE 20 N -1.52 -0.04 -0.08 -0.18 -1.16 -1.26 -0.38 121.20 116.59 1xx8 s ILE 20 Ca 0.54 0.14 -0.07 0.00 -0.51 0.00 0.00 60.65 60.76 1xx8 s ILE 20 Cb 0.22 -0.19 -0.02 0.00 0.61 0.00 0.00 42.46 43.07 1xx8 s ILE 20 CO -0.12 0.06 -0.14 0.29 -2.81 0.00 0.00 174.94 172.22 1xx8 n LYS 21 N 3.93 0.24 -4.62 3.50 5.02 0.14 -4.94 118.16 121.42 1xx8 n LYS 21 Ca -0.23 0.21 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 1xx8 n LYS 21 Cb 0.53 -1.04 -0.13 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.79 3.45 -0.28 1.97 2.20 -0.96 -4.97 119.74 119.36 1xx8 s LYS 22 Ca -0.11 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 1xx8 s LYS 22 Cb 0.02 -2.74 0.07 0.00 -1.51 0.00 0.00 37.83 33.67 1xx8 s LYS 22 CO 0.17 0.26 -0.03 0.54 -0.36 0.00 0.00 175.35 175.93 1xx8 s VAL 23 N 0.26 1.84 -0.04 4.02 0.11 -1.26 -0.22 120.40 125.11 1xx8 s VAL 23 Ca -0.06 -1.65 -0.07 0.00 -2.93 0.00 0.00 61.98 57.27 1xx8 s VAL 23 Cb -0.15 -2.15 0.01 0.00 -1.53 0.00 0.00 36.38 32.56 1xx8 s VAL 23 CO 0.04 -0.26 0.18 0.00 -3.33 0.00 0.00 175.10 171.73 1xx8 s ALA 24 N 1.21 -0.43 0.46 1.54 0.00 -1.25 -4.93 121.76 118.35 1xx8 s ALA 24 Ca -0.01 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1xx8 s ALA 24 Cb -0.19 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1xx8 s ALA 24 CO -0.08 -0.14 0.66 0.50 0.00 0.00 0.00 175.76 176.70 1xx8 s ARG 25 N -0.45 2.92 0.00 0.00 3.52 -1.26 -1.93 118.95 121.75 1xx8 s ARG 25 Ca -0.05 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1xx8 s ARG 25 Cb -0.04 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1xx8 s ARG 25 CO 0.01 -0.34 0.00 1.33 -0.81 0.00 0.00 175.30 175.49 1xx8 n VAL 26 N -2.06 0.00 0.00 7.11 0.24 -1.04 -4.85 118.33 117.73 1xx8 n VAL 26 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1xx8 n VAL 26 Cb 0.58 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 2.02 0.29 0.00 7.63 0.00 -1.26 -4.92 105.19 108.96 1xx8 n GLY 27 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1xx8 n GLY 27 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xx8 n LYS 28 N 0.00 0.02 -3.94 1.61 2.85 -1.26 -4.95 118.16 112.48 1xx8 n LYS 28 Ca 0.00 -0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1xx8 n LYS 28 Cb 0.00 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.85 1xx8 n LYS 28 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1xx8 s MET 29 N -3.01 3.27 -0.23 -1.58 -1.94 -1.26 -3.50 119.30 111.05 1xx8 s MET 29 Ca 0.09 -0.87 -0.04 0.00 -1.71 0.00 0.00 55.69 53.16 1xx8 s MET 29 Cb 0.17 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 34.20 1xx8 s MET 29 CO 0.78 0.37 -0.02 0.08 -0.01 0.00 0.00 175.02 176.22 1xx8 s VAL 30 N -2.05 3.53 -0.31 -6.03 1.01 -0.48 -2.48 120.40 113.58 1xx8 s VAL 30 Ca 0.35 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1xx8 s VAL 30 Cb -0.09 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.73 1xx8 s VAL 30 CO 0.28 0.40 0.02 -0.44 0.00 0.00 0.00 175.10 175.36 1xx8 s SER 31 N 1.50 4.92 0.32 3.32 0.01 -0.81 -1.86 113.70 121.10 1xx8 s SER 31 Ca 0.06 -1.39 0.09 0.00 1.31 0.00 0.00 55.95 56.02 1xx8 s SER 31 Cb -0.14 -1.72 -0.05 0.00 0.21 0.00 0.00 66.02 64.32 1xx8 s SER 31 CO -0.02 -0.29 -0.01 0.72 0.41 0.00 0.00 173.24 174.05 1xx8 s PHE 32 N 1.23 2.56 -0.39 2.43 -0.71 -0.18 -3.86 117.98 119.05 1xx8 s PHE 32 Ca -0.03 -0.37 0.01 0.00 -1.04 0.00 0.00 56.93 55.50 1xx8 s PHE 32 Cb -0.20 -1.38 0.11 0.00 -1.21 0.00 0.00 43.02 40.34 1xx8 s PHE 32 CO -0.02 0.53 0.14 0.99 -1.34 0.00 0.00 175.22 175.52 1xx8 s THR 33 N -2.47 2.70 0.45 -4.49 2.01 0.70 -2.13 115.64 112.41 1xx8 s THR 33 Ca 0.34 -2.39 0.08 0.00 0.31 0.00 0.00 61.69 60.03 1xx8 s THR 33 Cb -0.02 -2.92 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1xx8 s THR 33 CO 0.19 -0.66 0.61 -0.72 -0.69 0.00 0.00 174.62 173.35 1xx8 s TYR 34 N 0.81 2.64 -1.22 4.92 1.13 0.22 0.26 117.35 126.10 1xx8 s TYR 34 Ca 0.11 -0.42 -0.14 0.00 -1.41 0.00 0.00 57.07 55.22 1xx8 s TYR 34 Cb -0.21 -2.38 0.17 0.00 -1.10 0.00 0.00 41.96 38.44 1xx8 s TYR 34 CO -0.06 -0.54 1.48 -0.25 -2.51 0.00 0.00 175.55 173.67 1xx8 n ASP 35 N -1.93 5.20 -4.75 -0.18 9.92 0.49 -4.05 116.55 121.26 1xx8 n ASP 35 Ca 0.09 -2.98 -0.35 0.00 -0.53 0.00 0.00 54.79 51.01 1xx8 n ASP 35 Cb 0.59 -1.57 -0.08 0.00 -0.64 0.00 0.00 41.12 39.42 1xx8 n ASP 35 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1xx8 s ASP 36 N 2.76 6.23 -0.55 -2.24 2.15 -1.26 -5.00 116.67 118.77 1xx8 s ASP 36 Ca 0.43 0.26 -0.00 0.00 0.43 0.00 0.00 52.55 53.67 1xx8 s ASP 36 Cb -0.02 -2.09 0.47 0.00 -0.30 0.00 0.00 42.92 40.99 1xx8 s ASP 36 CO 0.01 0.21 1.98 0.59 -0.17 0.00 0.00 175.17 177.78 1xx8 n ASN 37 N 3.32 6.32 -0.08 -0.34 5.03 -1.26 -4.02 115.26 124.23 1xx8 n ASN 37 Ca -0.16 -3.61 -0.17 0.00 0.87 0.00 0.00 54.58 51.50 1xx8 n ASN 37 Cb 0.52 -0.94 -0.06 0.00 -1.02 0.00 0.00 39.78 38.29 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 -0.80 -0.27 0.00 7.41 0.00 -1.26 -5.05 105.19 105.22 1xx8 n GLY 38 Ca 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.67 0.00 -0.06 1.61 4.01 -1.26 -5.05 118.16 113.74 1xx8 n LYS 39 Ca -0.33 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.44 1xx8 n LYS 39 Cb 0.74 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 35.14 1xx8 n LYS 39 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1xx8 n THR 40 N 0.00 0.78 0.00 -0.18 5.66 -1.26 -4.89 114.28 114.38 1xx8 n THR 40 Ca 0.00 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 1xx8 n THR 40 Cb 0.00 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 1xx8 n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xx8 n GLY 41 N 1.93 0.77 3.35 1.09 0.00 -1.26 -4.35 105.19 106.72 1xx8 n GLY 41 Ca -0.19 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 1xx8 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xx8 s ARG 42 N -1.47 3.38 0.06 1.61 1.81 -1.26 -0.61 118.95 122.46 1xx8 s ARG 42 Ca 0.00 -0.68 0.01 0.00 -1.72 0.00 0.00 55.73 53.35 1xx8 s ARG 42 Cb 0.00 -2.70 -0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1xx8 s ARG 42 CO 0.00 0.13 -0.06 0.20 -0.68 0.00 0.00 175.30 174.89 1xx8 s GLY 43 N 0.58 0.54 -0.01 -3.53 0.00 -0.91 -4.89 107.32 99.10 1xx8 s GLY 43 Ca -0.07 -0.99 -0.08 0.00 0.00 0.00 0.00 44.72 43.58 1xx8 s GLY 43 CO 0.03 -1.07 0.17 0.00 0.00 0.00 0.00 173.10 172.24 1xx8 s ALA 44 N -2.47 -0.42 -0.02 3.20 0.00 -1.25 -1.01 121.76 119.80 1xx8 s ALA 44 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1xx8 s ALA 44 Cb -0.03 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1xx8 s ALA 44 CO -0.03 -0.20 -0.04 0.54 0.00 0.00 0.00 175.76 176.03 1xx8 s VAL 45 N -1.13 0.39 -1.10 0.00 0.11 -0.77 -3.51 120.40 114.39 1xx8 s VAL 45 Ca -0.12 -0.14 -0.08 0.00 -2.93 0.00 0.00 61.98 58.70 1xx8 s VAL 45 Cb -0.06 -0.38 -0.11 0.00 -1.53 0.00 0.00 36.38 34.30 1xx8 s VAL 45 CO 0.02 0.14 3.09 -1.20 -3.33 0.00 0.00 175.10 173.82 1xx8 n SER 46 N 3.40 7.65 0.00 3.54 7.64 -1.26 -1.38 113.62 133.20 1xx8 n SER 46 Ca -0.18 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1xx8 n SER 46 Cb 0.55 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1xx8 n SER 46 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1xx8 n GLU 47 N 2.99 0.00 0.23 1.43 2.13 -1.23 -4.08 120.64 122.12 1xx8 n GLU 47 Ca 0.66 0.00 0.16 0.00 0.66 0.00 0.00 57.16 58.64 1xx8 n GLU 47 Cb 0.43 0.00 0.75 0.00 0.27 0.00 0.00 31.44 32.89 1xx8 n GLU 47 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1xx8 h LYS 48 N 0.00 0.00 -0.57 5.31 2.10 -1.90 -1.37 116.57 120.14 1xx8 h LYS 48 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xx8 h LYS 48 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1xx8 h LYS 48 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1xx8 n ASP 49 N -2.69 3.01 -4.62 7.07 9.92 -1.26 -4.86 116.55 123.12 1xx8 n ASP 49 Ca -0.00 -2.22 -0.43 0.00 -0.53 0.00 0.00 54.79 51.61 1xx8 n ASP 49 Cb 0.17 -0.42 -0.02 0.00 -0.64 0.00 0.00 41.12 40.20 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 -1.65 3.17 -0.01 2.24 0.00 -0.52 -4.89 121.76 120.11 1xx8 s ALA 50 Ca 0.32 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 1xx8 s ALA 50 Cb 0.20 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1xx8 s ALA 50 CO 0.17 -2.12 0.82 -1.25 0.00 0.00 0.00 175.76 173.38 1xx8 s PRO 51 N 4.83 4.51 0.00 0.00 0.05 -1.26 -4.49 135.00 138.64 1xx8 s PRO 51 Ca 0.70 1.13 0.00 0.00 0.05 0.00 0.00 61.00 62.88 1xx8 s PRO 51 Cb -0.22 -3.43 0.00 0.00 0.05 0.00 0.00 34.50 30.91 1xx8 s PRO 51 CO 0.30 0.09 0.00 1.17 0.05 0.00 0.00 177.00 178.61 1xx8 n LYS 52 N 3.52 0.00 -0.21 4.56 3.00 -1.26 -0.29 118.16 127.48 1xx8 n LYS 52 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.27 1xx8 n LYS 52 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.49 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 -0.22 0.14 1.64 2.13 -1.25 0.17 120.64 123.25 1xx8 n GLU 53 Ca 0.00 0.85 0.08 0.00 0.66 0.00 0.00 57.16 58.76 1xx8 n GLU 53 Cb 0.00 -1.26 0.05 0.00 0.27 0.00 0.00 31.44 30.50 1xx8 n GLU 53 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1xx8 h LEU 54 N 0.00 0.00 -0.64 4.31 6.46 -1.00 -1.92 115.31 122.52 1xx8 h LEU 54 Ca 0.08 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1xx8 h LEU 54 Cb 0.20 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1xx8 h LEU 54 CO -0.47 0.18 -0.11 0.25 -0.62 0.00 0.00 178.44 177.67 1xx8 h LEU 55 N 0.00 0.95 -0.65 2.25 5.85 -0.48 -1.49 115.31 121.74 1xx8 h LEU 55 Ca -0.02 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 1xx8 h LEU 55 Cb 1.16 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1xx8 h LEU 55 CO 0.02 1.07 -0.48 -0.78 -0.34 0.00 0.00 178.44 177.93 1xx8 h ASP 56 N 0.85 0.00 0.75 1.25 3.58 -0.21 -3.22 116.42 119.42 1xx8 h ASP 56 Ca 0.13 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 1xx8 h ASP 56 Cb 0.66 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1xx8 h ASP 56 CO 0.05 0.48 -0.40 0.24 -2.88 0.00 0.00 179.24 176.72 1xx8 h MET 57 N 0.00 0.00 0.00 0.28 2.86 -0.66 -2.33 114.93 115.08 1xx8 h MET 57 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xx8 h MET 57 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1xx8 h MET 57 CO 0.06 0.40 0.00 1.28 1.06 0.00 0.00 176.91 179.72 1xx8 n LEU 58 N -3.62 0.58 -0.22 1.22 4.77 -0.62 -3.57 117.00 115.54 1xx8 n LEU 58 Ca -0.01 0.58 -0.04 0.00 -0.03 0.00 0.00 56.01 56.51 1xx8 n LEU 58 Cb 0.51 -0.41 0.13 0.00 -2.33 0.00 0.00 43.42 41.31 1xx8 n LEU 58 CO 0.37 -0.23 1.02 0.00 -1.33 0.00 0.00 177.39 177.23 1xx8 h ALA 59 N 2.56 1.14 0.00 -1.18 0.00 -1.52 -0.84 119.26 119.42 1xx8 h ALA 59 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1xx8 h ALA 59 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xx8 h ALA 59 CO 0.00 0.61 -0.33 0.00 0.00 0.00 0.00 179.25 179.52 1xx8 h ARG 60 N 1.00 0.00 0.14 0.00 -0.00 -1.73 -2.66 114.38 111.12 1xx8 h ARG 60 Ca 0.23 0.00 -0.23 0.00 -0.50 0.00 0.00 59.98 59.48 1xx8 h ARG 60 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.23 1xx8 h ARG 60 CO -0.01 0.33 -1.08 0.00 0.00 0.00 0.00 179.97 179.21 1xx8 h ALA 61 N 1.67 -0.00 0.00 0.04 0.00 -1.52 -3.36 119.26 116.08 1xx8 h ALA 61 Ca -0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 54.91 53.91 1xx8 h ALA 61 Cb 0.90 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1xx8 h ALA 61 CO 0.04 0.56 -0.70 0.93 0.00 0.00 0.00 179.25 180.09 1xx8 h GLU 62 N -0.31 0.00 -0.19 0.00 5.08 -1.22 -3.22 114.58 114.72 1xx8 h GLU 62 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1xx8 h GLU 62 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1xx8 h GLU 62 CO 0.13 0.70 0.00 2.89 -1.00 0.00 0.00 179.01 181.73 1xx8 n ARG 63 N -3.34 0.80 -2.71 2.33 1.85 -1.01 -2.02 116.66 112.58 1xx8 n ARG 63 Ca 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.78 1xx8 n ARG 63 Cb 0.79 -1.10 0.10 0.00 -1.05 0.00 0.00 32.46 31.21 1xx8 n ARG 63 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1xx8 n GLU 64 N -0.36 1.16 0.23 2.89 1.02 -1.22 -4.95 120.64 119.42 1xx8 n GLU 64 Ca 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 57.16 55.14 1xx8 n GLU 64 Cb 0.05 -0.33 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 1xx8 n GLU 64 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xx8 n LYS 65 N -0.39 0.00 0.00 3.49 4.81 -0.99 -5.02 118.16 120.06 1xx8 n LYS 65 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 1xx8 n LYS 65 Cb 0.82 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.96 1xx8 n LYS 65 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93