#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 -0.35 -3.65 1.12 0.31 -1.26 -4.97 118.33 109.52 1xx8 n VAL 2 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1xx8 n VAL 2 Cb 0.00 -1.51 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 1xx8 n VAL 2 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xx8 s LYS 3 N -4.13 2.45 -0.62 5.55 1.02 -1.26 -4.72 119.74 118.03 1xx8 s LYS 3 Ca 0.00 -2.07 -0.01 0.00 0.02 0.00 0.00 55.97 53.92 1xx8 s LYS 3 Cb 0.00 -3.81 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 1xx8 s LYS 3 CO 0.00 -1.16 0.58 0.28 -0.92 0.00 0.00 175.35 174.13 1xx8 n VAL 4 N 4.31 -8.33 -4.13 3.17 0.31 -1.26 -3.64 118.33 108.77 1xx8 n VAL 4 Ca 0.00 -0.29 -0.35 0.00 -0.01 0.00 0.00 64.34 63.69 1xx8 n VAL 4 Cb 0.40 -6.23 -0.08 0.00 -0.91 0.00 0.00 33.84 27.03 1xx8 n VAL 4 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1xx8 s LYS 5 N -3.12 3.17 0.00 5.55 0.00 -1.26 -1.81 119.74 122.27 1xx8 s LYS 5 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 55.97 55.68 1xx8 s LYS 5 Cb -0.01 -2.96 0.00 0.00 0.00 0.00 0.00 37.83 34.87 1xx8 s LYS 5 CO 0.60 0.72 0.00 1.97 0.00 0.00 0.00 175.35 178.64 1xx8 n PHE 6 N 1.83 -0.89 -5.04 1.78 -1.74 -0.09 -4.71 117.46 108.60 1xx8 n PHE 6 Ca -0.18 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.39 1xx8 n PHE 6 Cb 0.54 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.38 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 -1.73 3.18 -0.02 3.97 0.00 -1.24 0.12 119.74 124.03 1xx8 s LYS 7 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 55.97 55.12 1xx8 s LYS 7 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 37.83 35.40 1xx8 s LYS 7 CO 0.00 0.20 0.11 -0.47 0.00 0.00 0.00 175.35 175.19 1xx8 s TYR 8 N 0.32 -0.01 0.00 1.78 5.04 0.17 -4.31 117.35 120.34 1xx8 s TYR 8 Ca -0.15 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.51 1xx8 s TYR 8 Cb -0.17 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.12 1xx8 s TYR 8 CO 0.07 -0.16 0.00 1.63 -1.34 0.00 0.00 175.55 175.75 1xx8 n LYS 9 N 2.23 0.00 0.00 4.97 4.01 -1.26 -2.14 118.16 125.97 1xx8 n LYS 9 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 1xx8 n LYS 9 Cb 0.57 -2.51 0.00 0.00 -0.51 0.00 0.00 35.03 32.58 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 -1.83 1.29 3.43 0.72 0.00 -1.26 -5.12 105.19 102.42 1xx8 n GLY 10 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1xx8 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xx8 s GLU 11 N -0.01 1.91 0.18 1.61 0.41 -0.91 -5.12 118.70 116.76 1xx8 s GLU 11 Ca 0.00 -1.88 -0.29 0.00 -0.41 0.00 0.00 54.97 52.39 1xx8 s GLU 11 Cb 0.00 0.41 -0.08 0.00 -1.78 0.00 0.00 34.13 32.68 1xx8 s GLU 11 CO 0.00 -0.77 0.90 -1.21 -0.49 0.00 0.00 175.26 173.70 1xx8 s GLU 12 N -3.09 4.75 0.03 1.61 2.02 -1.26 0.42 118.70 123.18 1xx8 s GLU 12 Ca 0.34 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.73 1xx8 s GLU 12 Cb 0.00 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 1xx8 s GLU 12 CO 0.24 0.44 -0.04 0.21 0.02 0.00 0.00 175.26 176.13 1xx8 s LYS 13 N -0.83 0.39 0.11 1.61 2.20 0.12 -4.81 119.74 118.52 1xx8 s LYS 13 Ca 0.41 -0.73 0.10 0.00 -0.36 0.00 0.00 55.97 55.39 1xx8 s LYS 13 Cb -0.25 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1xx8 s LYS 13 CO 0.30 -0.05 -0.24 -1.21 -0.36 0.00 0.00 175.35 173.79 1xx8 s GLU 14 N -1.89 1.30 -0.03 4.03 2.02 -1.26 -0.91 118.70 121.96 1xx8 s GLU 14 Ca -0.11 -1.25 0.01 0.00 0.02 0.00 0.00 54.97 53.63 1xx8 s GLU 14 Cb -0.07 -1.68 0.02 0.00 0.10 0.00 0.00 34.13 32.49 1xx8 s GLU 14 CO -0.02 0.40 -0.04 0.08 0.02 0.00 0.00 175.26 175.70 1xx8 s VAL 15 N -1.08 0.44 0.40 2.63 1.01 -0.75 -5.02 120.40 118.02 1xx8 s VAL 15 Ca 0.11 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1xx8 s VAL 15 Cb -0.10 -0.45 -0.08 0.00 0.00 0.00 0.00 36.38 35.75 1xx8 s VAL 15 CO 0.05 0.18 1.14 -0.62 0.00 0.00 0.00 175.10 175.85 1xx8 s ASP 16 N 0.62 6.58 0.00 3.32 2.15 -1.26 -4.27 116.67 123.80 1xx8 s ASP 16 Ca -0.07 2.28 0.15 0.00 0.43 0.00 0.00 52.55 55.34 1xx8 s ASP 16 Cb -0.11 -2.61 0.66 0.00 -0.30 0.00 0.00 42.92 40.56 1xx8 s ASP 16 CO -0.00 -0.63 1.49 0.41 -0.17 0.00 0.00 175.17 176.27 1xx8 n THR 17 N 0.06 0.94 0.02 1.71 -1.04 -1.26 -0.76 114.28 113.96 1xx8 n THR 17 Ca 0.04 0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 62.16 1xx8 n THR 17 Cb 0.47 -0.97 -0.01 0.00 -1.82 0.00 0.00 70.33 68.00 1xx8 n THR 17 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1xx8 h SER 18 N 0.00 0.66 -1.61 8.00 0.02 -2.01 -3.33 113.55 115.29 1xx8 h SER 18 Ca 0.00 -0.44 -0.70 0.00 -0.84 0.00 0.00 61.79 59.81 1xx8 h SER 18 Cb 0.27 -0.20 -0.21 0.00 0.14 0.00 0.00 62.40 62.40 1xx8 h SER 18 CO 0.00 1.20 1.20 0.29 -1.14 0.00 0.00 176.83 178.39 1xx8 n LYS 19 N -3.87 3.76 -3.75 3.45 5.02 0.06 -4.86 118.16 117.98 1xx8 n LYS 19 Ca -0.06 -3.48 -0.15 0.00 -2.02 0.00 0.00 58.31 52.61 1xx8 n LYS 19 Cb 0.73 -2.37 -0.16 0.00 -0.02 0.00 0.00 35.03 33.21 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 -3.21 -0.07 -0.02 -0.18 -1.16 -1.25 -1.09 121.20 114.21 1xx8 s ILE 20 Ca 0.51 0.23 -0.03 0.00 -0.51 0.00 0.00 60.65 60.86 1xx8 s ILE 20 Cb 0.30 -0.16 -0.01 0.00 0.61 0.00 0.00 42.46 43.21 1xx8 s ILE 20 CO -0.22 0.10 -0.05 0.29 -2.81 0.00 0.00 174.94 172.24 1xx8 n LYS 21 N 4.36 0.08 -3.94 3.50 5.02 0.14 -4.96 118.16 122.37 1xx8 n LYS 21 Ca -0.24 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.73 1xx8 n LYS 21 Cb 0.51 -0.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1xx8 n LYS 21 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xx8 s LYS 22 N -1.38 3.85 -0.26 1.97 3.01 -0.51 -4.94 119.74 121.47 1xx8 s LYS 22 Ca -0.04 -0.40 -0.02 0.00 -1.01 0.00 0.00 55.97 54.50 1xx8 s LYS 22 Cb 0.01 -3.26 0.03 0.00 -1.01 0.00 0.00 37.83 33.60 1xx8 s LYS 22 CO 0.07 0.10 -0.04 0.54 0.51 0.00 0.00 175.35 176.52 1xx8 s VAL 23 N 0.85 2.96 -0.02 3.17 0.11 -1.26 0.56 120.40 126.76 1xx8 s VAL 23 Ca 0.04 -1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1xx8 s VAL 23 Cb -0.14 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.19 1xx8 s VAL 23 CO 0.02 0.14 0.04 0.00 -3.33 0.00 0.00 175.10 171.97 1xx8 s ALA 24 N 1.32 -0.02 0.48 1.54 0.00 -1.24 -4.89 121.76 118.94 1xx8 s ALA 24 Ca -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 1xx8 s ALA 24 Cb -0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1xx8 s ALA 24 CO -0.03 -0.06 0.72 0.50 0.00 0.00 0.00 175.76 176.89 1xx8 s ARG 25 N 0.49 3.12 0.00 0.00 3.52 -1.26 -1.53 118.95 123.29 1xx8 s ARG 25 Ca -0.04 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1xx8 s ARG 25 Cb -0.06 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.85 1xx8 s ARG 25 CO -0.02 -0.32 0.00 1.33 -0.81 0.00 0.00 175.30 175.48 1xx8 n VAL 26 N -2.18 0.00 0.04 7.11 0.24 -1.13 -4.86 118.33 117.54 1xx8 n VAL 26 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1xx8 n VAL 26 Cb 0.57 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 1.87 -0.05 0.00 7.63 0.00 -1.26 -4.95 105.19 108.42 1xx8 n GLY 27 Ca 0.00 0.00 0.00 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 -2.97 4.59 -4.15 1.61 5.02 -1.26 -5.06 118.16 115.95 1xx8 n LYS 28 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1xx8 n LYS 28 Cb 0.00 -0.46 -0.05 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.87 2.78 -0.30 1.97 -1.94 -1.26 -1.61 119.30 118.06 1xx8 s MET 29 Ca 0.00 -1.09 -0.07 0.00 -1.71 0.00 0.00 55.69 52.82 1xx8 s MET 29 Cb 0.00 -2.49 0.01 0.00 2.01 0.00 0.00 34.83 34.36 1xx8 s MET 29 CO 0.00 0.41 0.09 0.08 -0.01 0.00 0.00 175.02 175.59 1xx8 s VAL 30 N -2.08 3.99 -0.59 -6.03 1.01 0.25 -2.85 120.40 114.09 1xx8 s VAL 30 Ca 0.32 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1xx8 s VAL 30 Cb -0.08 -3.07 0.15 0.00 0.00 0.00 0.00 36.38 33.38 1xx8 s VAL 30 CO 0.23 0.05 0.51 -0.94 0.00 0.00 0.00 175.10 174.95 1xx8 s SER 31 N 1.50 6.07 0.18 3.32 1.04 -0.58 -2.43 113.70 122.79 1xx8 s SER 31 Ca 0.02 -2.15 0.06 0.00 0.48 0.00 0.00 55.95 54.36 1xx8 s SER 31 Cb -0.17 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 1xx8 s SER 31 CO 0.03 -0.69 0.10 0.72 0.98 0.00 0.00 173.24 174.38 1xx8 s PHE 32 N 1.01 3.04 -0.18 5.02 -0.71 -0.68 -3.70 117.98 121.78 1xx8 s PHE 32 Ca 0.09 -0.07 -0.03 0.00 -1.04 0.00 0.00 56.93 55.88 1xx8 s PHE 32 Cb -0.23 -1.45 -0.01 0.00 -1.21 0.00 0.00 43.02 40.11 1xx8 s PHE 32 CO -0.02 0.52 -0.06 0.99 -1.34 0.00 0.00 175.22 175.32 1xx8 s THR 33 N -1.81 3.44 0.00 -4.49 2.01 0.19 -1.34 115.64 113.65 1xx8 s THR 33 Ca 0.30 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1xx8 s THR 33 Cb -0.09 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.89 1xx8 s THR 33 CO 0.22 0.46 0.00 0.00 -0.69 0.00 0.00 174.62 174.61 1xx8 n TYR 34 N 4.21 0.00 -3.54 4.92 0.18 0.31 0.27 117.16 123.51 1xx8 n TYR 34 Ca -0.18 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.31 1xx8 n TYR 34 Cb 0.52 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.33 1xx8 n TYR 34 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1xx8 s ASP 35 N -0.56 3.52 -0.39 9.48 2.15 -0.25 -2.60 116.67 128.01 1xx8 s ASP 35 Ca 0.00 -1.32 0.11 0.00 0.43 0.00 0.00 52.55 51.77 1xx8 s ASP 35 Cb 0.00 -0.35 0.38 0.00 -0.30 0.00 0.00 42.92 42.65 1xx8 s ASP 35 CO 0.00 -0.44 1.09 -0.67 -0.17 0.00 0.00 175.17 174.99 1xx8 n ASP 36 N 5.21 -0.75 0.00 -0.34 2.03 -1.26 -4.80 116.55 116.64 1xx8 n ASP 36 Ca -0.05 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.33 1xx8 n ASP 36 Cb 0.42 0.60 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 1xx8 n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1xx8 n ASN 37 N -0.08 0.00 -2.31 1.67 2.04 -1.26 -5.03 115.26 110.28 1xx8 n ASN 37 Ca 0.07 0.00 -0.31 0.00 -0.44 0.00 0.00 54.58 53.90 1xx8 n ASN 37 Cb 0.77 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 38.07 1xx8 n ASN 37 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xx8 n GLY 38 N -0.57 6.02 0.00 4.83 0.00 -1.26 -4.97 105.19 109.25 1xx8 n GLY 38 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.53 1xx8 n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xx8 n LYS 39 N -0.77 0.00 -2.31 1.61 -0.00 -1.26 -5.12 118.16 110.31 1xx8 n LYS 39 Ca 0.54 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.42 1xx8 n LYS 39 Cb 0.71 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.72 1xx8 n LYS 39 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1xx8 s THR 40 N -2.52 4.06 -0.05 0.58 -1.32 -1.26 -4.79 115.64 110.34 1xx8 s THR 40 Ca 0.00 1.25 -0.09 0.00 -1.21 0.00 0.00 61.69 61.64 1xx8 s THR 40 Cb 0.00 -3.90 -0.05 0.00 -1.51 0.00 0.00 72.50 67.05 1xx8 s THR 40 CO 0.00 -0.21 0.25 -0.83 -2.21 0.00 0.00 174.62 171.62 1xx8 s GLY 41 N 2.66 2.27 -0.03 6.08 0.00 -1.07 -4.98 107.32 112.25 1xx8 s GLY 41 Ca 0.60 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.84 1xx8 s GLY 41 CO 0.21 -0.23 -0.09 0.50 0.00 0.00 0.00 173.10 173.48 1xx8 s ARG 42 N -1.23 1.02 0.08 2.90 1.81 -1.26 -0.53 118.95 121.74 1xx8 s ARG 42 Ca 0.21 -0.30 0.02 0.00 -1.72 0.00 0.00 55.73 53.93 1xx8 s ARG 42 Cb -0.14 -0.94 -0.04 0.00 -0.45 0.00 0.00 34.95 33.38 1xx8 s ARG 42 CO 0.10 0.10 -0.07 0.20 -0.68 0.00 0.00 175.30 174.95 1xx8 s GLY 43 N 0.28 0.68 -0.03 -3.53 0.00 -0.45 -4.99 107.32 99.28 1xx8 s GLY 43 Ca -0.05 -1.20 -0.00 0.00 0.00 0.00 0.00 44.72 43.47 1xx8 s GLY 43 CO 0.01 -1.29 0.01 0.00 0.00 0.00 0.00 173.10 171.83 1xx8 s ALA 44 N -3.10 0.28 0.01 3.20 0.00 -1.26 -1.68 121.76 119.21 1xx8 s ALA 44 Ca 0.06 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 1xx8 s ALA 44 Cb 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1xx8 s ALA 44 CO -0.04 -0.16 0.07 0.54 0.00 0.00 0.00 175.76 176.17 1xx8 s VAL 45 N 1.25 0.09 0.62 0.00 0.11 -1.02 -3.65 120.40 117.81 1xx8 s VAL 45 Ca -0.07 -0.76 -0.13 0.00 -2.93 0.00 0.00 61.98 58.09 1xx8 s VAL 45 Cb -0.13 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1xx8 s VAL 45 CO -0.02 -0.42 1.04 -0.94 -3.33 0.00 0.00 175.10 171.42 1xx8 s SER 46 N -1.38 5.94 0.27 3.54 1.04 -1.26 0.88 113.70 122.73 1xx8 s SER 46 Ca -0.15 1.58 -0.04 0.00 0.48 0.00 0.00 55.95 57.83 1xx8 s SER 46 Cb -0.08 -2.50 0.35 0.00 0.10 0.00 0.00 66.02 63.89 1xx8 s SER 46 CO 0.00 -1.06 1.88 -0.33 0.98 0.00 0.00 173.24 174.72 1xx8 h GLU 47 N -0.10 1.07 -0.00 4.02 5.08 -1.62 -0.39 114.58 122.64 1xx8 h GLU 47 Ca -0.45 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 57.68 1xx8 h GLU 47 Cb 1.20 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1xx8 h GLU 47 CO 0.59 0.80 -0.48 0.87 -1.00 0.00 0.00 179.01 179.80 1xx8 h LYS 48 N 1.08 0.01 -0.17 2.33 1.57 -1.93 -2.47 116.57 116.98 1xx8 h LYS 48 Ca 0.27 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1xx8 h LYS 48 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1xx8 h LYS 48 CO -0.04 0.49 0.00 -3.47 -0.57 0.00 0.00 179.45 175.86 1xx8 n ASP 49 N -3.97 2.51 -4.73 0.86 2.03 -0.87 -4.95 116.55 107.42 1xx8 n ASP 49 Ca -0.02 -1.83 -0.41 0.00 0.52 0.00 0.00 54.79 53.05 1xx8 n ASP 49 Cb 0.50 -0.10 -0.04 0.00 -0.72 0.00 0.00 41.12 40.76 1xx8 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xx8 s ALA 50 N -1.79 3.39 -0.42 -1.67 0.00 -0.21 -4.85 121.76 116.20 1xx8 s ALA 50 Ca 0.34 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.94 1xx8 s ALA 50 Cb 0.20 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1xx8 s ALA 50 CO 0.30 -0.30 0.76 -1.25 0.00 0.00 0.00 175.76 175.27 1xx8 s PRO 51 N -0.08 3.50 0.00 0.00 0.04 -1.26 -4.71 135.00 132.48 1xx8 s PRO 51 Ca 0.52 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1xx8 s PRO 51 Cb -0.30 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1xx8 s PRO 51 CO 0.34 -1.01 0.00 1.17 0.04 0.00 0.00 177.00 177.54 1xx8 n LYS 52 N 6.54 0.00 0.28 4.56 3.00 -1.26 0.14 118.16 131.42 1xx8 n LYS 52 Ca 0.02 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.50 1xx8 n LYS 52 Cb 0.48 0.00 0.94 0.00 0.00 0.00 0.00 35.03 36.46 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 0.00 0.08 1.64 4.81 -1.93 0.81 114.58 120.00 1xx8 h GLU 53 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1xx8 h GLU 53 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xx8 h GLU 53 CO 0.00 0.00 -1.18 1.25 -0.73 0.00 0.00 179.01 178.35 1xx8 h LEU 54 N 0.00 0.28 -1.17 1.64 7.12 -0.66 -1.04 115.31 121.48 1xx8 h LEU 54 Ca 0.03 -0.30 -0.08 0.00 0.13 0.00 0.00 57.88 57.66 1xx8 h LEU 54 Cb 0.19 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 1xx8 h LEU 54 CO -0.00 1.24 -0.24 -0.07 -0.13 0.00 0.00 178.44 179.24 1xx8 h LEU 55 N 0.05 0.27 -0.47 2.25 3.38 -0.99 -1.21 115.31 118.59 1xx8 h LEU 55 Ca -0.10 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 1xx8 h LEU 55 Cb 1.91 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 1xx8 h LEU 55 CO 0.18 0.52 -0.56 -0.78 0.09 0.00 0.00 178.44 177.89 1xx8 h ASP 56 N 0.25 0.67 0.49 -0.43 1.82 -1.00 -2.54 116.42 115.68 1xx8 h ASP 56 Ca 0.04 -0.36 -0.09 0.00 -0.39 0.00 0.00 57.03 56.22 1xx8 h ASP 56 Cb 0.57 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1xx8 h ASP 56 CO 0.04 1.09 -0.45 0.24 -1.61 0.00 0.00 179.24 178.55 1xx8 h MET 57 N 0.46 0.00 -0.13 0.28 2.86 -0.88 -2.58 114.93 114.94 1xx8 h MET 57 Ca 0.01 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1xx8 h MET 57 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1xx8 h MET 57 CO 0.11 0.45 -0.35 1.25 1.06 0.00 0.00 176.91 179.43 1xx8 h LEU 58 N 0.00 0.54 -0.74 1.22 6.46 -1.09 -2.16 115.31 119.53 1xx8 h LEU 58 Ca -0.00 -0.59 -0.09 0.00 -0.12 0.00 0.00 57.88 57.08 1xx8 h LEU 58 Cb 0.81 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1xx8 h LEU 58 CO 0.06 1.03 0.02 0.00 -0.62 0.00 0.00 178.44 178.92 1xx8 h ALA 59 N 0.52 0.95 0.00 1.25 0.00 -1.33 -2.00 119.26 118.65 1xx8 h ALA 59 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xx8 h ALA 59 Cb 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1xx8 h ALA 59 CO 0.08 0.64 0.00 0.07 0.00 0.00 0.00 179.25 180.03 1xx8 h ARG 60 N 0.90 0.00 -0.09 0.00 0.11 -1.51 -3.22 114.38 110.57 1xx8 h ARG 60 Ca 0.17 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.02 1xx8 h ARG 60 Cb 0.50 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.59 1xx8 h ARG 60 CO 0.02 0.00 -0.86 0.00 0.10 0.00 0.00 179.97 179.23 1xx8 h ALA 61 N 2.26 0.30 -0.18 0.08 0.00 -0.68 -2.99 119.26 118.04 1xx8 h ALA 61 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1xx8 h ALA 61 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xx8 h ALA 61 CO 0.00 0.70 0.00 -0.85 0.00 0.00 0.00 179.25 179.10 1xx8 n GLU 62 N -3.89 1.47 0.00 0.00 0.28 -1.03 -3.38 120.64 114.10 1xx8 n GLU 62 Ca -0.08 -0.68 0.12 0.00 -0.16 0.00 0.00 57.16 56.36 1xx8 n GLU 62 Cb 0.79 -1.18 0.52 0.00 1.43 0.00 0.00 31.44 33.00 1xx8 n GLU 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xx8 n ARG 63 N 0.05 0.01 -1.83 3.44 5.12 -1.13 -3.90 116.66 118.42 1xx8 n ARG 63 Ca 0.06 0.09 -0.02 0.00 -1.93 0.00 0.00 57.85 56.05 1xx8 n ARG 63 Cb 0.18 -1.51 0.02 0.00 -1.16 0.00 0.00 32.46 29.98 1xx8 n ARG 63 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1xx8 n GLU 64 N -1.53 0.60 -0.45 5.56 1.02 -1.22 -4.87 120.64 119.75 1xx8 n GLU 64 Ca 0.06 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 1xx8 n GLU 64 Cb 0.29 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 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 -0.29 0.00 0.00 3.49 2.85 -1.25 -5.14 118.16 117.81 1xx8 n LYS 65 Ca -0.10 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1xx8 n LYS 65 Cb 0.88 -0.02 0.00 0.00 -0.65 0.00 0.00 35.03 35.25 1xx8 n LYS 65 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71