#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 4.87 0.27 3.17 0.11 -1.26 -5.03 120.40 122.54 1xx8 s VAL 2 Ca 0.00 1.02 0.03 0.00 -2.93 0.00 0.00 61.98 60.10 1xx8 s VAL 2 Cb 0.00 -4.06 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 1xx8 s VAL 2 CO 0.00 -0.18 0.21 -0.54 -3.33 0.00 0.00 175.10 171.26 1xx8 s LYS 3 N 2.76 1.50 -0.08 1.54 1.02 -1.26 -4.33 119.74 120.88 1xx8 s LYS 3 Ca 0.28 -1.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.14 1xx8 s LYS 3 Cb -0.15 0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 37.40 1xx8 s LYS 3 CO 0.12 -0.53 1.82 0.08 -0.92 0.00 0.00 175.35 175.92 1xx8 s VAL 4 N -3.78 3.36 -0.40 3.17 1.01 -1.26 -4.68 120.40 117.81 1xx8 s VAL 4 Ca 0.40 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.85 1xx8 s VAL 4 Cb 0.05 -3.31 0.44 0.00 0.00 0.00 0.00 36.38 33.55 1xx8 s VAL 4 CO 0.20 -0.08 1.23 1.17 0.00 0.00 0.00 175.10 177.63 1xx8 n LYS 5 N 7.57 3.45 -0.34 2.72 4.81 -1.26 -3.21 118.16 131.89 1xx8 n LYS 5 Ca 0.20 -4.25 -0.29 0.00 -0.87 0.00 0.00 58.31 53.10 1xx8 n LYS 5 Cb 0.43 -2.27 0.27 0.00 0.02 0.00 0.00 35.03 33.49 1xx8 n LYS 5 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 1xx8 n PHE 6 N -0.61 -2.83 -3.89 5.64 -1.74 -1.19 -4.59 117.46 108.24 1xx8 n PHE 6 Ca 0.43 -0.53 -0.35 0.00 -0.56 0.00 0.00 57.45 56.44 1xx8 n PHE 6 Cb 0.78 -1.47 -0.14 0.00 1.52 0.00 0.00 39.48 40.18 1xx8 n PHE 6 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1xx8 s LYS 7 N -4.69 2.79 -0.12 3.97 1.02 -1.23 -1.87 119.74 119.62 1xx8 s LYS 7 Ca 0.66 -1.02 -0.04 0.00 0.02 0.00 0.00 55.97 55.58 1xx8 s LYS 7 Cb -0.16 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1xx8 s LYS 7 CO 0.59 -0.47 0.03 -0.47 -0.92 0.00 0.00 175.35 174.10 1xx8 s TYR 8 N 1.35 3.21 -1.77 3.18 5.04 0.53 -4.26 117.35 124.63 1xx8 s TYR 8 Ca -0.01 0.13 -0.18 0.00 -2.44 0.00 0.00 57.07 54.57 1xx8 s TYR 8 Cb -0.18 -1.90 0.18 0.00 0.35 0.00 0.00 41.96 40.41 1xx8 s TYR 8 CO -0.02 0.34 0.44 0.36 -1.34 0.00 0.00 175.55 175.34 1xx8 n LYS 9 N 2.68 -0.77 -2.88 4.97 2.85 -1.26 -0.69 118.16 123.06 1xx8 n LYS 9 Ca -0.18 0.13 -0.11 0.00 -1.05 0.00 0.00 58.31 57.10 1xx8 n LYS 9 Cb 0.53 -4.35 0.05 0.00 -0.65 0.00 0.00 35.03 30.61 1xx8 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xx8 n GLY 10 N -1.43 -0.03 3.63 2.58 0.00 -1.26 -5.04 105.19 103.63 1xx8 n GLY 10 Ca 0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.89 0.39 0.23 1.61 2.12 0.14 -5.14 118.70 113.16 1xx8 s GLU 11 Ca 0.03 0.36 -0.31 0.00 0.36 0.00 0.00 54.97 55.41 1xx8 s GLU 11 Cb -0.01 0.19 -0.11 0.00 0.26 0.00 0.00 34.13 34.45 1xx8 s GLU 11 CO 0.44 -0.07 1.65 -1.21 -0.54 0.00 0.00 175.26 175.53 1xx8 s GLU 12 N -0.14 4.14 -0.05 4.30 2.02 -1.26 -0.34 118.70 127.37 1xx8 s GLU 12 Ca 0.04 2.56 -0.03 0.00 0.02 0.00 0.00 54.97 57.55 1xx8 s GLU 12 Cb -0.04 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.15 1xx8 s GLU 12 CO -0.07 -0.68 0.12 0.21 0.02 0.00 0.00 175.26 174.86 1xx8 s LYS 13 N 0.54 0.10 -0.06 1.61 2.20 -0.78 -4.84 119.74 118.52 1xx8 s LYS 13 Ca 0.70 0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 56.56 1xx8 s LYS 13 Cb -0.48 -0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 35.74 1xx8 s LYS 13 CO 0.38 -0.09 -0.00 -1.21 -0.36 0.00 0.00 175.35 174.06 1xx8 s GLU 14 N 0.63 2.91 -0.04 4.03 2.02 -1.26 -3.20 118.70 123.80 1xx8 s GLU 14 Ca -0.05 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 1xx8 s GLU 14 Cb -0.06 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.44 1xx8 s GLU 14 CO -0.03 0.68 0.08 0.54 0.02 0.00 0.00 175.26 176.55 1xx8 s VAL 15 N -0.95 -0.02 0.39 2.63 0.11 -1.20 -5.07 120.40 116.29 1xx8 s VAL 15 Ca 0.15 0.08 -0.27 0.00 -2.93 0.00 0.00 61.98 59.01 1xx8 s VAL 15 Cb -0.11 -0.14 -0.10 0.00 -1.53 0.00 0.00 36.38 34.50 1xx8 s VAL 15 CO 0.05 0.03 1.37 -1.81 -3.33 0.00 0.00 175.10 171.41 1xx8 s ASP 16 N 0.49 6.35 0.59 3.54 1.11 -1.26 -4.22 116.67 123.27 1xx8 s ASP 16 Ca -0.04 2.81 0.35 0.00 0.18 0.00 0.00 52.55 55.85 1xx8 s ASP 16 Cb -0.05 -2.65 1.85 0.00 1.07 0.00 0.00 42.92 43.14 1xx8 s ASP 16 CO -0.02 -0.84 2.20 0.74 1.18 0.00 0.00 175.17 178.43 1xx8 h THR 17 N 2.70 0.28 0.00 -1.27 2.02 -1.99 -1.57 112.91 113.09 1xx8 h THR 17 Ca -0.50 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1xx8 h THR 17 Cb 1.24 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1xx8 h THR 17 CO 0.63 0.04 -0.09 0.77 0.37 0.00 0.00 175.52 177.24 1xx8 h SER 18 N 0.00 0.00 -1.76 4.18 4.64 -2.03 -2.80 113.55 115.78 1xx8 h SER 18 Ca -0.00 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.58 1xx8 h SER 18 Cb 0.19 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.99 1xx8 h SER 18 CO 0.01 0.09 0.90 0.29 -0.87 0.00 0.00 176.83 177.25 1xx8 n LYS 19 N -3.53 2.79 -4.42 4.77 5.02 -0.59 -4.93 118.16 117.27 1xx8 n LYS 19 Ca -0.02 -3.54 -0.33 0.00 -2.02 0.00 0.00 58.31 52.40 1xx8 n LYS 19 Cb 0.23 -2.27 -0.15 0.00 -0.02 0.00 0.00 35.03 32.81 1xx8 n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xx8 s ILE 20 N -5.05 2.60 -0.09 -0.18 -1.09 -1.06 -0.85 121.20 115.49 1xx8 s ILE 20 Ca 0.54 -0.78 -0.07 0.00 -2.23 0.00 0.00 60.65 58.11 1xx8 s ILE 20 Cb 0.45 -2.10 -0.02 0.00 -1.58 0.00 0.00 42.46 39.20 1xx8 s ILE 20 CO -0.32 0.51 -0.13 0.29 -1.23 0.00 0.00 174.94 174.06 1xx8 n LYS 21 N 4.21 0.27 -4.35 2.79 5.02 -0.54 -4.91 118.16 120.65 1xx8 n LYS 21 Ca -0.19 0.31 -0.20 0.00 -2.02 0.00 0.00 58.31 56.21 1xx8 n LYS 21 Cb 0.51 -1.20 -0.16 0.00 -0.02 0.00 0.00 35.03 34.17 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 -1.83 0.94 -0.74 1.97 -0.14 -1.06 -5.02 119.74 113.86 1xx8 s LYS 22 Ca -0.11 -0.27 0.01 0.00 -1.36 0.00 0.00 55.97 54.24 1xx8 s LYS 22 Cb 0.02 -0.88 0.18 0.00 -1.68 0.00 0.00 37.83 35.47 1xx8 s LYS 22 CO 0.16 0.08 0.57 0.54 -0.76 0.00 0.00 175.35 175.94 1xx8 s VAL 23 N 0.30 3.57 0.83 3.17 0.11 -1.26 -0.42 120.40 126.70 1xx8 s VAL 23 Ca -0.05 -3.78 -0.08 0.00 -2.93 0.00 0.00 61.98 55.15 1xx8 s VAL 23 Cb -0.09 -3.29 0.16 0.00 -1.53 0.00 0.00 36.38 31.62 1xx8 s VAL 23 CO 0.01 -0.99 1.14 0.00 -3.33 0.00 0.00 175.10 171.93 1xx8 s ALA 24 N -1.03 3.03 -0.08 1.54 0.00 -1.22 -4.89 121.76 119.09 1xx8 s ALA 24 Ca 0.23 -1.47 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 1xx8 s ALA 24 Cb -0.11 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.69 1xx8 s ALA 24 CO -0.11 -1.90 0.16 0.50 0.00 0.00 0.00 175.76 174.41 1xx8 s ARG 25 N -5.49 0.06 0.00 0.00 3.52 -1.26 -3.55 118.95 112.23 1xx8 s ARG 25 Ca 0.70 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 1xx8 s ARG 25 Cb -0.05 -0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.12 1xx8 s ARG 25 CO 0.48 -0.25 0.00 1.33 -0.81 0.00 0.00 175.30 176.06 1xx8 n VAL 26 N 4.85 0.00 0.00 7.11 0.24 -1.22 -4.97 118.33 124.34 1xx8 n VAL 26 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1xx8 n VAL 26 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 4.13 0.13 0.77 7.63 0.00 -1.26 -4.89 105.19 111.71 1xx8 n GLY 27 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 2.49 -4.51 1.61 2.85 -1.26 -4.99 118.16 114.35 1xx8 n LYS 28 Ca 0.00 -2.04 -0.24 0.00 -1.05 0.00 0.00 58.31 54.98 1xx8 n LYS 28 Cb 0.00 -1.33 -0.11 0.00 -0.65 0.00 0.00 35.03 32.94 1xx8 n LYS 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xx8 s MET 29 N -1.03 1.75 -0.27 -1.58 0.23 -1.26 -3.44 119.30 113.70 1xx8 s MET 29 Ca 0.27 -1.96 -0.06 0.00 -1.03 0.00 0.00 55.69 52.91 1xx8 s MET 29 Cb 0.15 -1.22 0.00 0.00 -1.53 0.00 0.00 34.83 32.23 1xx8 s MET 29 CO 0.20 -0.09 0.04 0.08 -2.03 0.00 0.00 175.02 173.22 1xx8 s VAL 30 N -3.02 3.82 -0.63 5.16 1.01 -0.21 -3.38 120.40 123.15 1xx8 s VAL 30 Ca 0.35 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1xx8 s VAL 30 Cb 0.08 -2.90 0.16 0.00 0.00 0.00 0.00 36.38 33.72 1xx8 s VAL 30 CO 0.16 0.19 0.46 -0.44 0.00 0.00 0.00 175.10 175.47 1xx8 s SER 31 N 1.50 5.49 0.48 3.32 0.01 -1.23 -2.27 113.70 120.99 1xx8 s SER 31 Ca 0.03 -2.71 0.08 0.00 1.31 0.00 0.00 55.95 54.67 1xx8 s SER 31 Cb -0.16 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.18 1xx8 s SER 31 CO 0.01 -0.43 0.57 0.72 0.41 0.00 0.00 173.24 174.52 1xx8 s PHE 32 N 0.15 2.20 -0.17 2.43 -0.71 -0.90 -3.46 117.98 117.53 1xx8 s PHE 32 Ca 0.16 -0.58 -0.02 0.00 -1.04 0.00 0.00 56.93 55.45 1xx8 s PHE 32 Cb -0.19 -2.22 0.05 0.00 -1.21 0.00 0.00 43.02 39.45 1xx8 s PHE 32 CO -0.04 -0.58 0.00 0.95 -1.34 0.00 0.00 175.22 174.21 1xx8 s THR 33 N -2.53 0.69 0.24 -4.49 -4.23 0.44 -2.06 115.64 103.69 1xx8 s THR 33 Ca 0.53 -0.48 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 1xx8 s THR 33 Cb -0.06 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.71 1xx8 s THR 33 CO 0.32 -0.03 0.31 -0.72 -0.54 0.00 0.00 174.62 173.96 1xx8 s TYR 34 N 1.80 3.36 -0.66 3.99 1.13 0.30 -1.47 117.35 125.81 1xx8 s TYR 34 Ca 0.00 -0.04 -0.20 0.00 -1.41 0.00 0.00 57.07 55.42 1xx8 s TYR 34 Cb -0.16 -1.53 0.10 0.00 -1.10 0.00 0.00 41.96 39.27 1xx8 s TYR 34 CO -0.07 0.46 0.86 0.34 -2.51 0.00 0.00 175.55 174.63 1xx8 s ASP 35 N -3.91 6.24 0.00 -0.18 2.15 -0.03 -2.42 116.67 118.53 1xx8 s ASP 35 Ca 0.34 -1.34 0.23 0.00 0.43 0.00 0.00 52.55 52.21 1xx8 s ASP 35 Cb -0.09 -2.36 0.42 0.00 -0.30 0.00 0.00 42.92 40.59 1xx8 s ASP 35 CO 0.28 -1.24 1.39 -0.67 -0.17 0.00 0.00 175.17 174.76 1xx8 n ASP 36 N 6.89 3.15 0.00 -0.34 2.03 -1.25 -4.90 116.55 122.12 1xx8 n ASP 36 Ca -0.03 -1.96 0.00 0.00 0.52 0.00 0.00 54.79 53.32 1xx8 n ASP 36 Cb 0.44 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 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 1.33 0.00 -0.42 1.67 5.03 -1.26 -4.42 115.26 117.18 1xx8 n ASN 37 Ca 0.18 0.00 0.34 0.00 0.87 0.00 0.00 54.58 55.97 1xx8 n ASN 37 Cb 0.58 0.00 0.63 0.00 -1.02 0.00 0.00 39.78 39.97 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 1.13 -1.31 7.41 0.00 -2.00 -3.44 103.07 104.86 1xx8 h GLY 38 Ca 0.00 -0.12 0.16 0.00 0.00 0.00 0.00 47.33 47.36 1xx8 h GLY 38 CO 0.00 -0.29 0.56 0.58 0.00 0.00 0.00 176.54 177.39 1xx8 n LYS 39 N -4.60 0.57 -2.25 4.80 0.00 -1.26 -5.07 118.16 110.34 1xx8 n LYS 39 Ca 0.34 -1.32 -0.33 0.00 -0.00 0.00 0.00 58.31 57.01 1xx8 n LYS 39 Cb 1.32 1.80 -0.04 0.00 -0.00 0.00 0.00 35.03 38.10 1xx8 n LYS 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1xx8 s THR 40 N -2.10 3.67 0.17 0.58 2.01 -1.26 -3.81 115.64 114.90 1xx8 s THR 40 Ca 0.21 -0.77 -0.32 0.00 0.31 0.00 0.00 61.69 61.13 1xx8 s THR 40 Cb -0.02 -4.54 -0.11 0.00 0.01 0.00 0.00 72.50 67.84 1xx8 s THR 40 CO 0.05 -1.35 1.74 -0.83 -0.69 0.00 0.00 174.62 173.54 1xx8 s GLY 41 N 6.47 1.31 -0.11 4.40 0.00 -1.01 -4.92 107.32 113.46 1xx8 s GLY 41 Ca 0.62 1.50 0.02 0.00 0.00 0.00 0.00 44.72 46.85 1xx8 s GLY 41 CO 0.01 2.95 -0.17 -1.60 0.00 0.00 0.00 173.10 174.29 1xx8 s ARG 42 N 1.80 2.36 0.06 2.90 3.52 -1.26 -0.54 118.95 127.79 1xx8 s ARG 42 Ca 0.76 -0.62 0.09 0.00 -0.13 0.00 0.00 55.73 55.84 1xx8 s ARG 42 Cb -0.47 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.93 1xx8 s ARG 42 CO 0.33 -0.02 -0.26 0.20 -0.81 0.00 0.00 175.30 174.74 1xx8 s GLY 43 N 0.85 1.44 -0.09 8.12 0.00 -0.87 -4.94 107.32 111.83 1xx8 s GLY 43 Ca -0.09 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1xx8 s GLY 43 CO 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 173.10 171.81 1xx8 s ALA 44 N -0.85 1.25 -0.08 3.20 0.00 -1.26 -2.12 121.76 121.91 1xx8 s ALA 44 Ca 0.12 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 1xx8 s ALA 44 Cb -0.10 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1xx8 s ALA 44 CO 0.03 -0.17 0.22 0.54 0.00 0.00 0.00 175.76 176.38 1xx8 s VAL 45 N 1.22 -0.00 0.33 0.00 0.11 -0.96 -3.51 120.40 117.59 1xx8 s VAL 45 Ca -0.04 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.73 1xx8 s VAL 45 Cb -0.14 -0.32 -0.12 0.00 -1.53 0.00 0.00 36.38 34.27 1xx8 s VAL 45 CO -0.03 0.00 1.32 -1.20 -3.33 0.00 0.00 175.10 171.87 1xx8 n SER 46 N 3.00 2.86 -0.17 3.54 7.64 -1.26 -1.05 113.62 128.18 1xx8 n SER 46 Ca -0.13 1.20 -0.00 0.00 1.01 0.00 0.00 58.87 60.95 1xx8 n SER 46 Cb 0.58 -1.49 0.24 0.00 -1.01 0.00 0.00 64.21 62.53 1xx8 n SER 46 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1xx8 h GLU 47 N 2.80 0.90 0.00 1.43 4.11 -1.88 0.19 114.58 122.14 1xx8 h GLU 47 Ca -0.46 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 58.87 1xx8 h GLU 47 Cb 1.28 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1xx8 h GLU 47 CO 0.64 0.67 0.00 1.57 0.07 0.00 0.00 179.01 181.96 1xx8 h LYS 48 N 0.91 0.00 -0.57 1.06 2.10 -1.90 -2.78 116.57 115.39 1xx8 h LYS 48 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1xx8 h LYS 48 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1xx8 h LYS 48 CO -0.04 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 173.94 1xx8 n ASP 49 N -2.91 3.65 -4.71 7.07 2.03 -0.40 -4.97 116.55 116.31 1xx8 n ASP 49 Ca 0.03 -2.07 -0.42 0.00 0.52 0.00 0.00 54.79 52.85 1xx8 n ASP 49 Cb 0.43 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.39 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 -1.13 3.18 0.41 -1.67 0.00 0.53 -4.78 121.76 118.31 1xx8 s ALA 50 Ca 0.40 0.55 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 1xx8 s ALA 50 Cb 0.21 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 1xx8 s ALA 50 CO 0.25 -0.20 1.17 -2.14 0.00 0.00 0.00 175.76 174.85 1xx8 s PRO 51 N 0.81 4.00 0.18 0.00 0.02 -1.26 -4.65 135.00 134.10 1xx8 s PRO 51 Ca 0.51 1.82 -0.06 0.00 0.02 0.00 0.00 61.00 63.29 1xx8 s PRO 51 Cb -0.22 -2.62 0.29 0.00 0.02 0.00 0.00 34.50 31.97 1xx8 s PRO 51 CO 0.28 -0.36 1.02 1.17 -0.33 0.00 0.00 177.00 178.78 1xx8 n LYS 52 N -0.04 -0.07 0.03 5.54 3.00 -1.26 -0.45 118.16 124.90 1xx8 n LYS 52 Ca 0.05 1.02 -0.14 0.00 -0.00 0.00 0.00 58.31 59.24 1xx8 n LYS 52 Cb 0.47 -1.53 -0.08 0.00 0.00 0.00 0.00 35.03 33.90 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 -0.55 0.00 1.64 4.57 -1.89 0.35 114.58 118.70 1xx8 h GLU 53 Ca 0.31 0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.44 1xx8 h GLU 53 Cb 0.47 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1xx8 h GLU 53 CO -0.67 -0.36 -0.40 1.25 -1.18 0.00 0.00 179.01 177.64 1xx8 h LEU 54 N -0.57 0.00 -1.09 1.64 5.85 -1.09 -2.94 115.31 117.12 1xx8 h LEU 54 Ca 0.05 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1xx8 h LEU 54 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1xx8 h LEU 54 CO -0.38 0.40 -0.35 0.25 -0.34 0.00 0.00 178.44 178.02 1xx8 h LEU 55 N 0.00 0.00 0.00 2.25 6.46 -0.01 -2.75 115.31 121.25 1xx8 h LEU 55 Ca -0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.65 1xx8 h LEU 55 Cb 0.93 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1xx8 h LEU 55 CO 0.05 0.35 -0.59 -0.78 -0.62 0.00 0.00 178.44 176.85 1xx8 h ASP 56 N 0.00 0.00 0.68 1.25 1.82 -0.77 -3.14 116.42 116.26 1xx8 h ASP 56 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1xx8 h ASP 56 Cb 0.81 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1xx8 h ASP 56 CO 0.05 0.51 0.00 0.23 -1.61 0.00 0.00 179.24 178.41 1xx8 n MET 57 N -3.19 0.19 -0.10 0.28 2.81 -1.04 -3.27 117.12 112.80 1xx8 n MET 57 Ca 0.01 0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.82 1xx8 n MET 57 Cb 0.75 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.61 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 -1.39 1.05 0.29 4.03 4.77 -1.19 -4.32 117.00 120.24 1xx8 n LEU 58 Ca 0.09 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.19 1xx8 n LEU 58 Cb 0.25 -0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.23 1xx8 n LEU 58 CO 0.22 0.64 1.11 0.00 -1.33 0.00 0.00 177.39 178.03 1xx8 h ALA 59 N 0.66 1.54 -0.30 -1.18 0.00 -1.53 0.18 119.26 118.64 1xx8 h ALA 59 Ca -0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1xx8 h ALA 59 Cb 2.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1xx8 h ALA 59 CO -0.01 0.01 0.00 2.89 0.00 0.00 0.00 179.25 182.15 1xx8 n ARG 60 N -3.89 2.41 0.00 0.00 1.85 -1.25 -3.76 116.66 112.02 1xx8 n ARG 60 Ca -0.03 -1.37 0.00 0.00 -1.00 0.00 0.00 57.85 55.45 1xx8 n ARG 60 Cb 0.09 -1.62 0.00 0.00 -1.05 0.00 0.00 32.46 29.88 1xx8 n ARG 60 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xx8 n ALA 61 N 0.37 0.54 -1.22 2.89 0.00 -0.04 -4.80 120.51 118.24 1xx8 n ALA 61 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 1xx8 n ALA 61 Cb 0.53 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.40 2.60 -0.01 0.00 0.28 -0.65 -3.72 120.64 118.74 1xx8 n GLU 62 Ca 0.00 -3.07 -0.01 0.00 -0.16 0.00 0.00 57.16 53.92 1xx8 n GLU 62 Cb 0.01 -2.06 -0.02 0.00 1.43 0.00 0.00 31.44 30.80 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 -0.82 3.32 -0.14 3.44 1.74 -1.25 -4.52 116.66 118.43 1xx8 n ARG 63 Ca 0.44 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.59 1xx8 n ARG 63 Cb 1.35 -1.07 0.10 0.00 -1.02 0.00 0.00 32.46 31.82 1xx8 n ARG 63 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1xx8 n GLU 64 N -2.13 1.18 0.05 5.56 0.28 -1.26 -4.85 120.64 119.47 1xx8 n GLU 64 Ca -0.04 -2.16 0.00 0.00 -0.16 0.00 0.00 57.16 54.79 1xx8 n GLU 64 Cb 0.58 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.19 1xx8 n GLU 64 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1xx8 n LYS 65 N -1.07 0.00 0.00 3.44 3.00 -1.24 -5.12 118.16 117.16 1xx8 n LYS 65 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1xx8 n LYS 65 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1xx8 n LYS 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57