#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 -0.92 0.21 3.17 0.11 -1.26 -4.80 120.40 116.91 1xx8 s VAL 2 Ca 0.00 -0.78 -0.12 0.00 -2.93 0.00 0.00 61.98 58.15 1xx8 s VAL 2 Cb 0.00 -0.08 -0.00 0.00 -1.53 0.00 0.00 36.38 34.77 1xx8 s VAL 2 CO 0.00 -0.07 0.41 -1.59 -3.33 0.00 0.00 175.10 170.52 1xx8 s LYS 3 N 1.14 1.39 -0.50 1.54 -2.85 -1.26 -4.59 119.74 114.62 1xx8 s LYS 3 Ca 0.26 -1.18 -0.18 0.00 -1.00 0.00 0.00 55.97 53.87 1xx8 s LYS 3 Cb -0.02 0.44 0.06 0.00 -2.06 0.00 0.00 37.83 36.26 1xx8 s LYS 3 CO -0.06 -0.56 0.55 0.08 0.10 0.00 0.00 175.35 175.46 1xx8 s VAL 4 N -3.98 5.00 -0.84 1.79 1.01 -0.26 -4.54 120.40 118.57 1xx8 s VAL 4 Ca 0.19 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1xx8 s VAL 4 Cb 0.01 -4.24 0.35 0.00 0.00 0.00 0.00 36.38 32.49 1xx8 s VAL 4 CO 0.05 -0.73 1.76 0.29 0.00 0.00 0.00 175.10 176.47 1xx8 n LYS 5 N 5.84 3.81 -0.56 2.72 5.02 -1.26 0.13 118.16 133.86 1xx8 n LYS 5 Ca -0.09 -4.15 -0.30 0.00 -2.02 0.00 0.00 58.31 51.76 1xx8 n LYS 5 Cb 0.45 -2.33 0.22 0.00 -0.02 0.00 0.00 35.03 33.34 1xx8 n LYS 5 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1xx8 n PHE 6 N -0.34 -0.54 -3.92 2.13 -1.74 -1.12 -4.53 117.46 107.39 1xx8 n PHE 6 Ca 0.48 0.06 -0.35 0.00 -0.56 0.00 0.00 57.45 57.08 1xx8 n PHE 6 Cb 0.30 -1.80 -0.10 0.00 1.52 0.00 0.00 39.48 39.40 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 -4.42 3.99 -0.04 3.97 -2.85 -1.16 -0.10 119.74 119.13 1xx8 s LYS 7 Ca 0.67 -0.33 -0.00 0.00 -1.00 0.00 0.00 55.97 55.31 1xx8 s LYS 7 Cb -0.24 -3.28 0.03 0.00 -2.06 0.00 0.00 37.83 32.28 1xx8 s LYS 7 CO 0.63 0.22 -0.00 -0.47 0.10 0.00 0.00 175.35 175.83 1xx8 s TYR 8 N 0.52 0.44 0.00 1.78 5.04 0.22 -4.19 117.35 121.16 1xx8 s TYR 8 Ca 0.04 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 1xx8 s TYR 8 Cb -0.13 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.64 1xx8 s TYR 8 CO 0.01 -0.19 0.00 1.63 -1.34 0.00 0.00 175.55 175.66 1xx8 n LYS 9 N 4.43 -0.19 0.00 4.97 5.02 -1.26 -1.46 118.16 129.67 1xx8 n LYS 9 Ca -0.20 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1xx8 n LYS 9 Cb 0.50 -3.71 0.00 0.00 -0.02 0.00 0.00 35.03 31.80 1xx8 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xx8 n GLY 10 N -1.79 0.85 3.49 0.72 0.00 -1.26 -5.10 105.19 102.10 1xx8 n GLY 10 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.35 1.75 -0.43 1.61 2.02 -0.54 -5.09 118.70 117.67 1xx8 s GLU 11 Ca 0.00 -1.67 -0.25 0.00 0.02 0.00 0.00 54.97 53.07 1xx8 s GLU 11 Cb 0.00 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.40 1xx8 s GLU 11 CO 0.00 0.35 0.87 -1.21 0.02 0.00 0.00 175.26 175.28 1xx8 s GLU 12 N -3.39 3.59 0.42 1.61 2.02 -1.26 0.69 118.70 122.38 1xx8 s GLU 12 Ca 0.29 0.18 0.07 0.00 0.02 0.00 0.00 54.97 55.53 1xx8 s GLU 12 Cb -0.06 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 1xx8 s GLU 12 CO 0.15 -1.09 0.27 0.21 0.02 0.00 0.00 175.26 174.82 1xx8 s LYS 13 N 3.49 2.35 -0.01 1.61 2.20 0.86 -4.94 119.74 125.30 1xx8 s LYS 13 Ca 0.34 -1.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.24 1xx8 s LYS 13 Cb -0.11 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 1xx8 s LYS 13 CO 0.23 -0.17 -0.05 -1.83 -0.36 0.00 0.00 175.35 173.17 1xx8 s GLU 14 N -4.01 0.46 -0.02 4.03 -1.05 -1.26 -2.79 118.70 114.06 1xx8 s GLU 14 Ca 0.43 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 1xx8 s GLU 14 Cb 0.01 -0.46 0.03 0.00 -0.44 0.00 0.00 34.13 33.26 1xx8 s GLU 14 CO 0.25 0.08 0.02 0.54 0.95 0.00 0.00 175.26 177.10 1xx8 s VAL 15 N 0.05 -0.00 0.73 1.83 0.11 0.12 -4.99 120.40 118.25 1xx8 s VAL 15 Ca -0.00 0.18 -0.11 0.00 -2.93 0.00 0.00 61.98 59.12 1xx8 s VAL 15 Cb -0.04 -0.12 0.03 0.00 -1.53 0.00 0.00 36.38 34.72 1xx8 s VAL 15 CO -0.00 0.10 1.11 -1.81 -3.33 0.00 0.00 175.10 171.17 1xx8 s ASP 16 N 1.04 5.17 0.63 3.54 1.11 -1.26 -1.10 116.67 125.79 1xx8 s ASP 16 Ca -0.09 1.00 0.40 0.00 0.18 0.00 0.00 52.55 54.04 1xx8 s ASP 16 Cb -0.13 -1.72 2.17 0.00 1.07 0.00 0.00 42.92 44.32 1xx8 s ASP 16 CO -0.03 -1.50 2.31 0.74 1.18 0.00 0.00 175.17 177.87 1xx8 h THR 17 N -0.76 0.16 -0.50 -1.27 2.02 -1.96 -1.43 112.91 109.16 1xx8 h THR 17 Ca -0.45 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.56 1xx8 h THR 17 Cb 1.28 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 1xx8 h THR 17 CO 0.64 0.01 -0.09 0.28 0.37 0.00 0.00 175.52 176.73 1xx8 h SER 18 N 0.00 0.95 -2.39 4.18 0.02 -1.97 -3.29 113.55 111.05 1xx8 h SER 18 Ca -0.00 -0.35 -0.75 0.00 -0.84 0.00 0.00 61.79 59.85 1xx8 h SER 18 Cb 0.06 -0.26 -0.31 0.00 0.14 0.00 0.00 62.40 62.03 1xx8 h SER 18 CO 0.00 1.07 0.56 0.29 -1.14 0.00 0.00 176.83 177.61 1xx8 n LYS 19 N -4.22 4.63 -3.43 3.45 5.02 -0.54 -4.86 118.16 118.22 1xx8 n LYS 19 Ca 0.01 -4.68 -0.10 0.00 -2.02 0.00 0.00 58.31 51.51 1xx8 n LYS 19 Cb 0.38 -2.42 -0.09 0.00 -0.02 0.00 0.00 35.03 32.88 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 -3.91 -0.58 -0.21 -0.18 -1.16 -1.24 -3.35 121.20 110.57 1xx8 s ILE 20 Ca 0.39 -0.02 -0.16 0.00 -0.51 0.00 0.00 60.65 60.35 1xx8 s ILE 20 Cb 0.17 -0.76 -0.08 0.00 0.61 0.00 0.00 42.46 42.40 1xx8 s ILE 20 CO -0.07 -0.09 -0.35 0.29 -2.81 0.00 0.00 174.94 171.92 1xx8 n LYS 21 N 5.36 0.54 -3.78 3.50 4.01 -0.86 -4.95 118.16 121.98 1xx8 n LYS 21 Ca -0.05 0.22 -0.36 0.00 -0.51 0.00 0.00 58.31 57.61 1xx8 n LYS 21 Cb 0.50 -1.43 -0.11 0.00 -0.51 0.00 0.00 35.03 33.48 1xx8 n LYS 21 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1xx8 s LYS 22 N -2.73 3.85 -0.37 1.97 -0.14 -0.17 -4.97 119.74 117.17 1xx8 s LYS 22 Ca -0.32 -0.38 -0.08 0.00 -1.36 0.00 0.00 55.97 53.82 1xx8 s LYS 22 Cb 0.08 -3.40 0.05 0.00 -1.68 0.00 0.00 37.83 32.89 1xx8 s LYS 22 CO 0.44 -0.04 0.18 0.54 -0.76 0.00 0.00 175.35 175.72 1xx8 s VAL 23 N 1.26 4.10 -0.10 3.17 0.11 -1.26 -0.27 120.40 127.40 1xx8 s VAL 23 Ca 0.06 -1.18 0.02 0.00 -2.93 0.00 0.00 61.98 57.95 1xx8 s VAL 23 Cb -0.14 -3.39 0.01 0.00 -1.53 0.00 0.00 36.38 31.33 1xx8 s VAL 23 CO 0.05 -0.31 -0.16 0.00 -3.33 0.00 0.00 175.10 171.34 1xx8 s ALA 24 N 1.44 1.74 0.05 1.54 0.00 -1.25 -4.99 121.76 120.28 1xx8 s ALA 24 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 1xx8 s ALA 24 Cb -0.21 -0.81 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 1xx8 s ALA 24 CO 0.03 -0.00 0.41 0.50 0.00 0.00 0.00 175.76 176.70 1xx8 s ARG 25 N 0.85 3.83 0.00 0.00 3.52 -1.26 -1.73 118.95 124.16 1xx8 s ARG 25 Ca -0.09 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1xx8 s ARG 25 Cb -0.15 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1xx8 s ARG 25 CO 0.00 0.61 0.00 0.28 -0.81 0.00 0.00 175.30 175.39 1xx8 n VAL 26 N 1.28 0.00 0.00 7.11 0.31 -1.20 -4.93 118.33 120.89 1xx8 n VAL 26 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1xx8 n VAL 26 Cb 0.52 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 1xx8 n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xx8 n GLY 27 N 3.82 0.07 0.06 2.92 0.00 -1.26 -4.96 105.19 105.84 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 0.58 0.00 0.00 0.00 173.32 173.90 1xx8 n LYS 28 N -2.08 0.67 -4.40 1.61 2.85 -1.26 -5.06 118.16 110.49 1xx8 n LYS 28 Ca 0.00 -0.85 -0.21 0.00 -1.05 0.00 0.00 58.31 56.20 1xx8 n LYS 28 Cb 0.00 -0.64 -0.10 0.00 -0.65 0.00 0.00 35.03 33.64 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 -0.32 1.48 -0.45 -1.58 -1.94 -1.26 -2.54 119.30 112.70 1xx8 s MET 29 Ca 0.01 -1.66 -0.13 0.00 -1.71 0.00 0.00 55.69 52.20 1xx8 s MET 29 Cb 0.01 -1.42 0.07 0.00 2.01 0.00 0.00 34.83 35.50 1xx8 s MET 29 CO 0.00 0.25 0.34 0.08 -0.01 0.00 0.00 175.02 175.69 1xx8 s VAL 30 N -2.72 4.92 -0.92 -6.03 1.01 0.27 -3.25 120.40 113.67 1xx8 s VAL 30 Ca 0.26 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1xx8 s VAL 30 Cb -0.03 -3.94 0.23 0.00 0.00 0.00 0.00 36.38 32.65 1xx8 s VAL 30 CO 0.10 -0.53 0.89 -0.44 0.00 0.00 0.00 175.10 175.13 1xx8 s SER 31 N 2.37 6.92 0.25 3.32 0.01 -0.70 -1.65 113.70 124.22 1xx8 s SER 31 Ca 0.04 -2.93 0.05 0.00 1.31 0.00 0.00 55.95 54.42 1xx8 s SER 31 Cb -0.23 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1xx8 s SER 31 CO 0.05 -0.51 0.34 0.72 0.41 0.00 0.00 173.24 174.25 1xx8 s PHE 32 N -0.12 3.37 -0.27 2.43 -0.71 -0.32 -3.97 117.98 118.39 1xx8 s PHE 32 Ca 0.23 -0.05 -0.05 0.00 -1.04 0.00 0.00 56.93 56.02 1xx8 s PHE 32 Cb -0.10 -1.56 0.01 0.00 -1.21 0.00 0.00 43.02 40.16 1xx8 s PHE 32 CO -0.09 0.43 0.03 0.99 -1.34 0.00 0.00 175.22 175.24 1xx8 s THR 33 N -2.02 3.66 0.00 -4.49 2.01 0.62 -1.45 115.64 113.98 1xx8 s THR 33 Ca 0.34 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1xx8 s THR 33 Cb -0.09 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1xx8 s THR 33 CO 0.28 0.18 0.00 0.00 -0.69 0.00 0.00 174.62 174.39 1xx8 n TYR 34 N 4.82 -1.13 -3.60 4.92 4.11 -0.67 -1.00 117.16 124.60 1xx8 n TYR 34 Ca -0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.64 1xx8 n TYR 34 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.79 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 -0.86 -0.35 -0.06 9.48 -4.77 -1.21 -0.99 116.67 117.92 1xx8 s ASP 35 Ca 0.00 -0.28 0.08 0.00 -3.30 0.00 0.00 52.55 49.06 1xx8 s ASP 35 Cb 0.00 0.55 0.12 0.00 -1.09 0.00 0.00 42.92 42.50 1xx8 s ASP 35 CO 0.00 -0.96 1.04 -0.90 0.70 0.00 0.00 175.17 175.05 1xx8 n ASP 36 N -0.31 1.95 0.00 2.11 5.68 -1.09 -4.84 116.55 120.06 1xx8 n ASP 36 Ca -0.14 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.73 1xx8 n ASP 36 Cb 0.64 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1xx8 n ASP 36 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1xx8 n ASN 37 N -0.85 0.00 0.03 -1.12 2.85 -1.26 -4.57 115.26 110.33 1xx8 n ASN 37 Ca 0.07 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.42 1xx8 n ASN 37 Cb 0.45 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.48 1xx8 n ASN 37 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1xx8 h GLY 38 N 0.00 0.56 -2.98 8.20 0.00 -2.02 -3.46 103.07 103.37 1xx8 h GLY 38 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.44 1xx8 h GLY 38 CO 0.00 0.70 -0.38 -1.59 0.00 0.00 0.00 176.54 175.27 1xx8 s LYS 39 N -3.67 0.96 0.08 4.80 -2.85 -1.26 -5.15 119.74 112.66 1xx8 s LYS 39 Ca -0.07 -1.09 -0.24 0.00 -1.00 0.00 0.00 55.97 53.57 1xx8 s LYS 39 Cb 0.10 0.34 -0.06 0.00 -2.06 0.00 0.00 37.83 36.15 1xx8 s LYS 39 CO 0.86 -0.32 0.74 0.99 0.10 0.00 0.00 175.35 177.72 1xx8 s THR 40 N -3.92 4.63 0.31 3.79 2.01 -1.26 -2.67 115.64 118.54 1xx8 s THR 40 Ca 0.11 1.60 0.08 0.00 0.31 0.00 0.00 61.69 63.79 1xx8 s THR 40 Cb 0.05 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 1xx8 s THR 40 CO -0.06 0.43 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.39 1xx8 s GLY 41 N -0.48 2.03 -0.06 4.40 0.00 -0.16 -4.98 107.32 108.08 1xx8 s GLY 41 Ca 0.36 -2.00 0.01 0.00 0.00 0.00 0.00 44.72 43.09 1xx8 s GLY 41 CO 0.23 -1.94 -0.05 -1.60 0.00 0.00 0.00 173.10 169.74 1xx8 s ARG 42 N -3.67 0.93 0.15 2.90 3.00 -1.26 -1.67 118.95 119.34 1xx8 s ARG 42 Ca 0.31 -0.11 0.02 0.00 -1.00 0.00 0.00 55.73 54.95 1xx8 s ARG 42 Cb 0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 34.95 33.96 1xx8 s ARG 42 CO 0.14 -0.12 -0.03 0.20 0.00 0.00 0.00 175.30 175.49 1xx8 s GLY 43 N 1.13 1.09 -0.03 8.12 0.00 -0.52 -4.97 107.32 112.14 1xx8 s GLY 43 Ca -0.07 -1.52 -0.02 0.00 0.00 0.00 0.00 44.72 43.10 1xx8 s GLY 43 CO -0.01 -1.52 0.07 0.00 0.00 0.00 0.00 173.10 171.64 1xx8 s ALA 44 N -3.60 -0.17 0.00 3.20 0.00 -1.26 -1.17 121.76 118.76 1xx8 s ALA 44 Ca 0.20 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 1xx8 s ALA 44 Cb 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 1xx8 s ALA 44 CO 0.01 -0.04 0.12 0.54 0.00 0.00 0.00 175.76 176.39 1xx8 s VAL 45 N 0.06 0.08 0.75 0.00 0.11 -0.66 -2.99 120.40 117.75 1xx8 s VAL 45 Ca -0.00 -0.69 -0.11 0.00 -2.93 0.00 0.00 61.98 58.25 1xx8 s VAL 45 Cb -0.01 -0.40 0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1xx8 s VAL 45 CO -0.00 -0.38 1.08 -0.44 -3.33 0.00 0.00 175.10 172.03 1xx8 s SER 46 N -1.33 4.87 0.08 3.54 0.01 -1.26 0.96 113.70 120.56 1xx8 s SER 46 Ca -0.14 1.56 -0.24 0.00 1.31 0.00 0.00 55.95 58.43 1xx8 s SER 46 Cb -0.08 -2.35 -0.16 0.00 0.21 0.00 0.00 66.02 63.64 1xx8 s SER 46 CO 0.01 -1.76 1.68 -0.33 0.41 0.00 0.00 173.24 173.25 1xx8 h GLU 47 N -0.94 -0.06 0.00 12.44 5.08 -1.83 0.72 114.58 129.99 1xx8 h GLU 47 Ca -0.45 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 1xx8 h GLU 47 Cb 1.23 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1xx8 h GLU 47 CO 0.56 0.01 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.04 1xx8 h LYS 48 N -0.12 0.00 -0.03 2.33 3.64 -1.93 -2.59 116.57 117.86 1xx8 h LYS 48 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xx8 h LYS 48 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xx8 h LYS 48 CO 0.01 0.32 0.00 -3.47 -2.27 0.00 0.00 179.45 174.04 1xx8 n ASP 49 N -3.64 1.85 -4.63 4.20 2.03 -0.97 -4.86 116.55 110.53 1xx8 n ASP 49 Ca -0.01 -1.62 -0.43 0.00 0.52 0.00 0.00 54.79 53.25 1xx8 n ASP 49 Cb 0.44 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.98 3.31 -1.07 -1.67 0.00 0.21 -4.74 121.76 115.81 1xx8 s ALA 50 Ca 0.36 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.52 1xx8 s ALA 50 Cb 0.21 -3.83 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1xx8 s ALA 50 CO 0.32 -1.88 1.79 -1.25 0.00 0.00 0.00 175.76 174.74 1xx8 s PRO 51 N 4.55 3.05 0.66 0.00 0.04 -1.26 -4.32 135.00 137.71 1xx8 s PRO 51 Ca 0.69 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 60.70 1xx8 s PRO 51 Cb -0.24 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.04 1xx8 s PRO 51 CO 0.28 -3.05 0.00 1.17 0.04 0.00 0.00 177.00 175.43 1xx8 n LYS 52 N 8.63 0.00 -0.33 4.56 0.00 -1.26 -4.07 118.16 125.69 1xx8 n LYS 52 Ca 0.41 0.00 0.21 0.00 0.00 0.00 0.00 58.31 58.94 1xx8 n LYS 52 Cb 0.48 0.00 0.47 0.00 0.00 0.00 0.00 35.03 35.98 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 0.44 0.22 1.64 4.81 -1.86 0.70 114.58 120.54 1xx8 h GLU 53 Ca 0.00 -0.03 -0.33 0.00 -0.13 0.00 0.00 59.36 58.88 1xx8 h GLU 53 Cb 0.00 -0.10 0.03 0.00 0.63 0.00 0.00 28.75 29.31 1xx8 h GLU 53 CO 0.00 0.29 -1.47 -0.07 -0.73 0.00 0.00 179.01 177.02 1xx8 h LEU 54 N 0.45 0.74 -1.02 1.64 -0.00 -1.85 -0.26 115.31 115.01 1xx8 h LEU 54 Ca 0.61 -0.83 -0.09 0.00 -0.00 0.00 0.00 57.88 57.58 1xx8 h LEU 54 Cb 1.43 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.84 1xx8 h LEU 54 CO -0.35 1.65 -0.44 0.25 -0.00 0.00 0.00 178.44 179.55 1xx8 h LEU 55 N 0.13 0.00 0.04 1.67 6.46 -1.34 -2.99 115.31 119.28 1xx8 h LEU 55 Ca -0.25 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.40 1xx8 h LEU 55 Cb 2.13 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 42.07 1xx8 h LEU 55 CO 0.25 0.44 -0.46 -0.78 -0.62 0.00 0.00 178.44 177.27 1xx8 h ASP 56 N 0.00 0.34 0.77 1.25 1.82 0.46 -3.27 116.42 117.79 1xx8 h ASP 56 Ca -0.00 -0.85 0.00 0.00 -0.39 0.00 0.00 57.03 55.78 1xx8 h ASP 56 Cb 0.87 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.77 1xx8 h ASP 56 CO 0.06 1.16 0.00 0.23 -1.61 0.00 0.00 179.24 179.07 1xx8 n MET 57 N -4.34 0.04 0.15 0.28 2.81 -0.12 -1.80 117.12 114.14 1xx8 n MET 57 Ca -0.11 0.18 0.13 0.00 -1.81 0.00 0.00 57.70 56.09 1xx8 n MET 57 Cb 0.63 -1.56 0.39 0.00 -0.71 0.00 0.00 33.22 31.97 1xx8 n MET 57 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1xx8 h LEU 58 N 0.00 0.00 -2.32 4.03 3.38 -1.57 -2.86 115.31 115.97 1xx8 h LEU 58 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xx8 h LEU 58 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1xx8 h LEU 58 CO 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.49 1xx8 h ALA 59 N 2.32 1.27 0.00 1.53 0.00 -1.49 0.15 119.26 123.04 1xx8 h ALA 59 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xx8 h ALA 59 Cb 0.71 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xx8 h ALA 59 CO 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.18 1xx8 h ARG 60 N 0.00 0.00 0.05 0.00 2.47 -1.70 -2.03 114.38 113.18 1xx8 h ARG 60 Ca -0.00 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.35 1xx8 h ARG 60 Cb 0.16 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.44 1xx8 h ARG 60 CO 0.01 0.12 -2.19 0.00 0.56 0.00 0.00 179.97 178.46 1xx8 n ALA 61 N -2.15 1.21 0.87 0.04 0.00 -0.09 -3.94 120.51 116.45 1xx8 n ALA 61 Ca 0.01 -0.87 0.13 0.00 0.00 0.00 0.00 53.44 52.71 1xx8 n ALA 61 Cb 0.43 -0.43 0.55 0.00 0.00 0.00 0.00 19.45 20.00 1xx8 n ALA 61 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1xx8 n GLU 62 N -3.29 0.06 0.03 0.00 0.28 -0.46 -1.84 120.64 115.42 1xx8 n GLU 62 Ca -0.36 0.07 -0.04 0.00 -0.16 0.00 0.00 57.16 56.67 1xx8 n GLU 62 Cb 1.04 -1.57 -0.02 0.00 1.43 0.00 0.00 31.44 32.31 1xx8 n GLU 62 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1xx8 h ARG 63 N 0.00 -0.17 0.00 3.44 9.65 -1.51 -3.36 114.38 122.43 1xx8 h ARG 63 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1xx8 h ARG 63 Cb 0.52 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1xx8 h ARG 63 CO 0.00 -0.04 0.00 -1.91 2.80 0.00 0.00 179.97 180.82 1xx8 n GLU 64 N -4.89 0.17 0.00 0.20 2.13 -1.25 -4.82 120.64 112.18 1xx8 n GLU 64 Ca -0.03 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1xx8 n GLU 64 Cb 0.11 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1xx8 n GLU 64 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1xx8 n LYS 65 N -1.99 0.00 0.00 5.31 5.02 -0.98 -5.13 118.16 120.40 1xx8 n LYS 65 Ca 0.06 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.45 1xx8 n LYS 65 Cb 0.38 0.00 0.61 0.00 -0.02 0.00 0.00 35.03 36.00 1xx8 n LYS 65 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05