#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 4.84 0.00 1.12 -7.23 -1.26 -4.90 120.40 112.97 1xx8 s VAL 2 Ca 0.00 -3.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.17 1xx8 s VAL 2 Cb 0.00 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.92 1xx8 s VAL 2 CO 0.00 -1.01 0.00 0.29 -0.31 0.00 0.00 175.10 174.07 1xx8 n LYS 3 N 3.36 0.00 -3.85 4.82 5.02 -1.26 -4.15 118.16 122.11 1xx8 n LYS 3 Ca 0.15 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 1xx8 n LYS 3 Cb 0.41 -0.16 -0.15 0.00 -0.02 0.00 0.00 35.03 35.12 1xx8 n LYS 3 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xx8 s VAL 4 N -0.15 1.59 -0.16 -0.18 1.01 -1.26 -2.49 120.40 118.76 1xx8 s VAL 4 Ca 0.00 -2.09 -0.16 0.00 0.00 0.00 0.00 61.98 59.73 1xx8 s VAL 4 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1xx8 s VAL 4 CO 0.00 -0.70 0.40 -0.54 0.00 0.00 0.00 175.10 174.27 1xx8 s LYS 5 N 0.99 4.26 0.08 2.72 1.02 -1.26 -4.09 119.74 123.46 1xx8 s LYS 5 Ca 0.12 0.27 -0.15 0.00 0.02 0.00 0.00 55.97 56.23 1xx8 s LYS 5 Cb -0.20 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.66 1xx8 s LYS 5 CO -0.13 0.10 0.35 -0.59 -0.92 0.00 0.00 175.35 174.16 1xx8 s PHE 6 N 0.87 -0.15 -0.25 3.18 -0.71 -1.00 -4.80 117.98 115.12 1xx8 s PHE 6 Ca 0.21 -0.07 -0.10 0.00 -1.04 0.00 0.00 56.93 55.93 1xx8 s PHE 6 Cb -0.14 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1xx8 s PHE 6 CO 0.08 -0.60 0.14 -1.59 -1.34 0.00 0.00 175.22 171.91 1xx8 s LYS 7 N -3.20 3.93 -0.01 1.99 -2.85 -1.26 -1.06 119.74 117.27 1xx8 s LYS 7 Ca -0.01 -0.34 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 1xx8 s LYS 7 Cb 0.01 -3.51 0.01 0.00 -2.06 0.00 0.00 37.83 32.28 1xx8 s LYS 7 CO -0.08 -0.07 -0.01 -0.47 0.10 0.00 0.00 175.35 174.83 1xx8 s TYR 8 N 1.39 0.16 0.00 1.78 5.04 0.05 -4.56 117.35 121.21 1xx8 s TYR 8 Ca 0.07 -0.00 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1xx8 s TYR 8 Cb -0.15 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 41.98 1xx8 s TYR 8 CO 0.07 -0.04 0.00 1.17 -1.34 0.00 0.00 175.55 175.41 1xx8 n LYS 9 N 3.42 0.00 0.00 4.97 3.00 -1.26 -1.30 118.16 126.99 1xx8 n LYS 9 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1xx8 n LYS 9 Cb 0.56 -2.76 0.00 0.00 0.00 0.00 0.00 35.03 32.83 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 -1.99 1.11 3.48 3.14 0.00 -1.26 -5.11 105.19 104.56 1xx8 n GLY 10 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.27 1.70 -0.12 1.61 2.02 -0.42 -5.09 118.70 118.13 1xx8 s GLU 11 Ca 0.00 -1.94 -0.27 0.00 0.02 0.00 0.00 54.97 52.79 1xx8 s GLU 11 Cb 0.00 -1.07 -0.02 0.00 0.10 0.00 0.00 34.13 33.14 1xx8 s GLU 11 CO 0.00 -0.13 0.87 -2.00 0.02 0.00 0.00 175.26 174.02 1xx8 s GLU 12 N -3.83 4.38 0.06 1.61 2.12 -1.26 -0.77 118.70 121.01 1xx8 s GLU 12 Ca 0.35 1.13 0.05 0.00 0.36 0.00 0.00 54.97 56.87 1xx8 s GLU 12 Cb 0.08 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1xx8 s GLU 12 CO 0.16 -0.23 -0.15 0.21 -0.54 0.00 0.00 175.26 174.71 1xx8 s LYS 13 N 1.75 0.91 -0.02 4.30 2.47 -0.22 -4.95 119.74 123.98 1xx8 s LYS 13 Ca 0.42 -0.90 0.01 0.00 -1.56 0.00 0.00 55.97 53.94 1xx8 s LYS 13 Cb -0.18 -0.94 0.02 0.00 -1.46 0.00 0.00 37.83 35.27 1xx8 s LYS 13 CO 0.17 0.22 -0.01 -1.21 0.16 0.00 0.00 175.35 174.68 1xx8 s GLU 14 N -1.52 0.26 -0.01 4.03 2.02 -1.26 -2.36 118.70 119.86 1xx8 s GLU 14 Ca 0.00 0.03 0.01 0.00 0.02 0.00 0.00 54.97 55.03 1xx8 s GLU 14 Cb -0.09 -0.39 0.02 0.00 0.10 0.00 0.00 34.13 33.77 1xx8 s GLU 14 CO 0.02 -0.08 0.74 1.55 0.02 0.00 0.00 175.26 177.51 1xx8 n VAL 15 N 3.80 0.41 -4.36 2.63 3.14 -1.26 -5.09 118.33 117.60 1xx8 n VAL 15 Ca -0.23 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.72 1xx8 n VAL 15 Cb 0.53 0.73 0.00 0.00 -1.06 0.00 0.00 33.84 34.04 1xx8 n VAL 15 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1xx8 n ASP 16 N -0.23 -1.03 0.00 6.55 8.00 -1.26 -4.48 116.55 124.10 1xx8 n ASP 16 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1xx8 n ASP 16 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1xx8 n ASP 16 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xx8 n THR 17 N 0.00 0.00 0.00 -3.53 -1.04 -1.26 -4.30 114.28 104.15 1xx8 n THR 17 Ca 0.00 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1xx8 n THR 17 Cb 0.00 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1xx8 n THR 17 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xx8 n SER 18 N 0.00 0.00 0.07 8.00 2.88 -1.26 -1.53 113.62 121.78 1xx8 n SER 18 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1xx8 n SER 18 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1xx8 n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xx8 n LYS 19 N 0.00 0.62 -2.01 -1.46 5.02 -1.26 -4.71 118.16 114.36 1xx8 n LYS 19 Ca 0.00 0.11 -0.32 0.00 -2.02 0.00 0.00 58.31 56.08 1xx8 n LYS 19 Cb 0.00 -1.78 -0.04 0.00 -0.02 0.00 0.00 35.03 33.19 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 -3.26 3.37 -0.23 -0.18 -1.09 -0.58 -1.05 121.20 118.17 1xx8 s ILE 20 Ca -0.02 -0.09 -0.03 0.00 -2.23 0.00 0.00 60.65 58.28 1xx8 s ILE 20 Cb 0.10 -3.90 -0.14 0.00 -1.58 0.00 0.00 42.46 36.94 1xx8 s ILE 20 CO 0.81 -0.86 -0.24 0.29 -1.23 0.00 0.00 174.94 173.72 1xx8 n LYS 21 N 9.01 0.55 -3.66 2.79 5.02 -1.12 -4.93 118.16 125.82 1xx8 n LYS 21 Ca 0.32 0.16 -0.38 0.00 -2.02 0.00 0.00 58.31 56.38 1xx8 n LYS 21 Cb 0.49 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.45 3.46 -0.23 1.97 2.36 -0.67 -5.01 119.74 119.17 1xx8 s LYS 22 Ca -0.32 -0.64 -0.04 0.00 -2.55 0.00 0.00 55.97 52.42 1xx8 s LYS 22 Cb 0.10 -3.55 -0.01 0.00 -1.05 0.00 0.00 37.83 33.32 1xx8 s LYS 22 CO 0.50 -0.36 -0.02 0.08 1.55 0.00 0.00 175.35 177.10 1xx8 s VAL 23 N 1.63 3.53 0.04 4.02 1.01 -1.26 0.30 120.40 129.67 1xx8 s VAL 23 Ca 0.05 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1xx8 s VAL 23 Cb -0.17 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1xx8 s VAL 23 CO 0.06 0.39 -0.08 0.00 0.00 0.00 0.00 175.10 175.48 1xx8 s ALA 24 N 1.50 0.56 -0.08 5.51 0.00 -1.22 -5.00 121.76 123.02 1xx8 s ALA 24 Ca 0.06 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1xx8 s ALA 24 Cb -0.15 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1xx8 s ALA 24 CO -0.02 -0.03 -0.04 -0.98 0.00 0.00 0.00 175.76 174.69 1xx8 s ARG 25 N -1.59 2.93 -0.27 0.00 1.04 -1.26 -2.22 118.95 117.57 1xx8 s ARG 25 Ca -0.10 -0.49 -0.04 0.00 -1.04 0.00 0.00 55.73 54.06 1xx8 s ARG 25 Cb -0.10 -2.70 0.09 0.00 -2.04 0.00 0.00 34.95 30.20 1xx8 s ARG 25 CO 0.00 0.64 0.12 0.14 -0.04 0.00 0.00 175.30 176.16 1xx8 s VAL 26 N -0.72 0.03 0.00 4.99 -7.23 -0.53 -4.89 120.40 112.04 1xx8 s VAL 26 Ca 0.11 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1xx8 s VAL 26 Cb -0.11 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.84 1xx8 s VAL 26 CO 0.02 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 1xx8 n GLY 27 N 5.21 4.07 0.92 2.32 0.00 -1.26 -1.22 105.19 115.24 1xx8 n GLY 27 Ca -0.06 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 14.00 2.27 -4.07 1.61 5.02 -1.26 -4.92 118.16 130.81 1xx8 n LYS 28 Ca 0.00 -1.85 -0.32 0.00 -2.02 0.00 0.00 58.31 54.12 1xx8 n LYS 28 Cb 0.00 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.48 1xx8 n LYS 28 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1xx8 s MET 29 N -1.95 3.02 -0.44 1.97 1.75 -0.36 -2.74 119.30 120.55 1xx8 s MET 29 Ca 0.30 -0.56 -0.14 0.00 -1.25 0.00 0.00 55.69 54.04 1xx8 s MET 29 Cb 0.20 -2.82 0.05 0.00 2.84 0.00 0.00 34.83 35.11 1xx8 s MET 29 CO 0.30 0.62 0.34 0.08 -0.65 0.00 0.00 175.02 175.71 1xx8 s VAL 30 N -1.28 5.08 -0.39 10.11 1.01 0.69 -1.46 120.40 134.16 1xx8 s VAL 30 Ca 0.26 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1xx8 s VAL 30 Cb -0.12 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.38 1xx8 s VAL 30 CO 0.18 -0.46 0.19 -0.55 0.00 0.00 0.00 175.10 174.45 1xx8 s SER 31 N 2.19 5.33 0.33 3.32 0.15 -0.94 -0.53 113.70 123.55 1xx8 s SER 31 Ca 0.04 -1.69 0.08 0.00 0.70 0.00 0.00 55.95 55.08 1xx8 s SER 31 Cb -0.22 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 1xx8 s SER 31 CO 0.07 -0.49 0.15 0.72 1.20 0.00 0.00 173.24 174.89 1xx8 s PHE 32 N 1.27 2.75 -0.09 3.44 -0.12 0.15 -3.45 117.98 121.93 1xx8 s PHE 32 Ca 0.04 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.60 1xx8 s PHE 32 Cb -0.22 -1.59 -0.02 0.00 -0.63 0.00 0.00 43.02 40.55 1xx8 s PHE 32 CO -0.01 0.36 -0.13 0.99 -0.05 0.00 0.00 175.22 176.38 1xx8 s THR 33 N -2.38 3.08 0.13 -4.49 2.01 0.15 -0.12 115.64 114.01 1xx8 s THR 33 Ca 0.37 -0.69 0.08 0.00 0.31 0.00 0.00 61.69 61.77 1xx8 s THR 33 Cb -0.04 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1xx8 s THR 33 CO 0.23 0.56 -0.19 -0.72 -0.69 0.00 0.00 174.62 173.81 1xx8 s TYR 34 N -0.20 1.76 -0.43 4.92 -0.85 0.80 -1.66 117.35 121.69 1xx8 s TYR 34 Ca 0.00 -0.45 -0.20 0.00 -0.52 0.00 0.00 57.07 55.90 1xx8 s TYR 34 Cb -0.13 -0.92 0.02 0.00 0.38 0.00 0.00 41.96 41.31 1xx8 s TYR 34 CO 0.03 0.25 0.62 0.34 -1.52 0.00 0.00 175.55 175.27 1xx8 s ASP 35 N -2.26 6.32 0.03 -0.18 -1.08 -0.22 -0.65 116.67 118.63 1xx8 s ASP 35 Ca 0.10 -0.32 0.23 0.00 -0.52 0.00 0.00 52.55 52.04 1xx8 s ASP 35 Cb -0.08 -2.31 0.18 0.00 -1.46 0.00 0.00 42.92 39.25 1xx8 s ASP 35 CO 0.05 -0.74 1.16 -0.67 0.52 0.00 0.00 175.17 175.49 1xx8 n ASP 36 N 6.18 0.64 0.00 -0.34 2.03 -1.05 -4.82 116.55 119.19 1xx8 n ASP 36 Ca -0.02 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1xx8 n ASP 36 Cb 0.48 0.59 0.00 0.00 -0.72 0.00 0.00 41.12 41.47 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 -1.76 0.00 0.09 1.67 5.03 -1.26 -4.40 115.26 114.63 1xx8 n ASN 37 Ca 0.03 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.35 1xx8 n ASN 37 Cb 0.39 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.05 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 0.33 -2.69 7.41 0.00 -2.01 -3.47 103.07 102.63 1xx8 h GLY 38 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 47.33 46.42 1xx8 h GLY 38 CO 0.00 0.62 -0.58 -1.59 0.00 0.00 0.00 176.54 174.99 1xx8 s LYS 39 N -2.90 1.11 -0.23 4.80 -2.85 -1.26 -5.13 119.74 113.28 1xx8 s LYS 39 Ca -0.04 -1.51 -0.22 0.00 -1.00 0.00 0.00 55.97 53.21 1xx8 s LYS 39 Cb 0.08 0.28 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 1xx8 s LYS 39 CO 0.87 -0.36 0.68 -0.08 0.10 0.00 0.00 175.35 176.56 1xx8 s THR 40 N -4.10 4.96 0.01 3.79 -1.32 -1.26 -2.52 115.64 115.20 1xx8 s THR 40 Ca 0.31 1.26 -0.06 0.00 -1.21 0.00 0.00 61.69 61.99 1xx8 s THR 40 Cb 0.06 -3.98 -0.05 0.00 -1.51 0.00 0.00 72.50 67.02 1xx8 s THR 40 CO 0.07 0.03 0.27 -0.83 -2.21 0.00 0.00 174.62 171.95 1xx8 s GLY 41 N 1.35 2.25 -0.08 6.08 0.00 0.18 -4.95 107.32 112.14 1xx8 s GLY 41 Ca 0.29 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.44 1xx8 s GLY 41 CO 0.09 -0.41 -0.09 -1.60 0.00 0.00 0.00 173.10 171.09 1xx8 s ARG 42 N -1.79 1.50 -0.02 2.90 6.06 -1.26 -0.14 118.95 126.21 1xx8 s ARG 42 Ca 0.28 -0.30 0.04 0.00 -2.50 0.00 0.00 55.73 53.25 1xx8 s ARG 42 Cb -0.13 -1.41 -0.01 0.00 0.06 0.00 0.00 34.95 33.46 1xx8 s ARG 42 CO 0.16 -0.12 -0.13 0.20 -2.50 0.00 0.00 175.30 172.91 1xx8 s GLY 43 N 1.16 0.67 -0.08 8.12 0.00 0.83 -4.98 107.32 113.04 1xx8 s GLY 43 Ca -0.05 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.11 1xx8 s GLY 43 CO -0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 173.10 172.60 1xx8 s ALA 44 N -0.19 1.12 0.08 3.20 0.00 -1.26 0.33 121.76 125.05 1xx8 s ALA 44 Ca 0.03 -0.37 0.09 0.00 0.00 0.00 0.00 51.96 51.71 1xx8 s ALA 44 Cb -0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 1xx8 s ALA 44 CO -0.00 -0.18 -0.23 0.08 0.00 0.00 0.00 175.76 175.43 1xx8 s VAL 45 N 1.26 1.90 0.49 0.00 1.01 0.31 -4.38 120.40 120.98 1xx8 s VAL 45 Ca -0.04 -1.46 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 1xx8 s VAL 45 Cb -0.14 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 1xx8 s VAL 45 CO -0.03 0.13 1.10 -0.44 0.00 0.00 0.00 175.10 175.86 1xx8 s SER 46 N -1.61 6.15 0.07 3.32 0.01 -1.26 -0.23 113.70 120.15 1xx8 s SER 46 Ca 0.09 2.11 -0.28 0.00 1.31 0.00 0.00 55.95 59.18 1xx8 s SER 46 Cb -0.10 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.42 1xx8 s SER 46 CO 0.04 -0.92 1.43 1.05 0.41 0.00 0.00 173.24 175.24 1xx8 h GLU 47 N 1.66 -0.75 0.00 12.44 4.11 -1.88 -1.41 114.58 128.74 1xx8 h GLU 47 Ca -0.49 0.05 -0.07 0.00 0.07 0.00 0.00 59.36 58.91 1xx8 h GLU 47 Cb 1.24 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1xx8 h GLU 47 CO 0.59 -0.50 -0.35 1.57 0.07 0.00 0.00 179.01 180.39 1xx8 h LYS 48 N -0.78 0.00 -0.01 1.06 2.10 -1.94 -2.80 116.57 114.20 1xx8 h LYS 48 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1xx8 h LYS 48 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1xx8 h LYS 48 CO -0.05 0.35 -0.05 -0.25 -2.00 0.00 0.00 179.45 177.45 1xx8 n ASP 49 N -3.75 1.28 -4.74 7.07 8.00 -1.08 -4.86 116.55 118.46 1xx8 n ASP 49 Ca -0.01 -1.33 -0.41 0.00 0.71 0.00 0.00 54.79 53.76 1xx8 n ASP 49 Cb 0.44 0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 1xx8 n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xx8 s ALA 50 N -2.10 3.36 -0.28 2.24 0.00 -0.55 -4.89 121.76 119.53 1xx8 s ALA 50 Ca 0.36 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 1xx8 s ALA 50 Cb 0.21 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 1xx8 s ALA 50 CO 0.37 -0.09 0.79 -1.25 0.00 0.00 0.00 175.76 175.58 1xx8 s PRO 51 N -0.77 4.05 0.00 0.00 0.04 -1.26 -4.77 135.00 132.28 1xx8 s PRO 51 Ca 0.46 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1xx8 s PRO 51 Cb -0.29 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1xx8 s PRO 51 CO 0.35 -0.61 0.00 1.17 0.04 0.00 0.00 177.00 177.95 1xx8 n LYS 52 N 6.12 0.00 -0.38 4.56 4.81 -1.26 0.97 118.16 132.98 1xx8 n LYS 52 Ca 0.04 0.00 0.36 0.00 -0.87 0.00 0.00 58.31 57.85 1xx8 n LYS 52 Cb 0.48 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.26 1xx8 n LYS 52 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1xx8 h GLU 53 N 0.00 0.04 0.10 1.64 4.39 -1.72 0.95 114.58 119.99 1xx8 h GLU 53 Ca 0.00 -0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.39 1xx8 h GLU 53 Cb 0.00 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1xx8 h GLU 53 CO 0.00 0.03 -1.55 1.25 -1.16 0.00 0.00 179.01 177.58 1xx8 h LEU 54 N 0.05 0.34 -0.81 1.33 6.46 0.92 -3.23 115.31 120.37 1xx8 h LEU 54 Ca 0.63 -0.49 -0.10 0.00 -0.12 0.00 0.00 57.88 57.80 1xx8 h LEU 54 Cb 2.40 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 42.21 1xx8 h LEU 54 CO -0.06 1.42 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.93 1xx8 h LEU 55 N 0.06 0.70 -0.06 2.25 3.38 0.19 -2.32 115.31 119.51 1xx8 h LEU 55 Ca -0.25 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1xx8 h LEU 55 Cb 2.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1xx8 h LEU 55 CO 0.15 0.88 0.00 0.47 0.09 0.00 0.00 178.44 180.03 1xx8 n ASP 56 N -4.14 0.11 0.19 -0.43 8.00 0.27 -1.60 116.55 118.95 1xx8 n ASP 56 Ca 0.01 0.52 0.14 0.00 0.71 0.00 0.00 54.79 56.16 1xx8 n ASP 56 Cb 0.39 -0.55 0.42 0.00 -0.02 0.00 0.00 41.12 41.37 1xx8 n ASP 56 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1xx8 h MET 57 N 0.00 0.00 0.00 -1.24 2.86 -1.43 -3.41 114.93 111.71 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 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1xx8 h MET 57 CO 0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 1xx8 n LEU 58 N -2.70 0.00 -1.46 1.22 4.77 -0.63 -4.77 117.00 113.43 1xx8 n LEU 58 Ca 0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 1xx8 n LEU 58 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1xx8 n LEU 58 CO 0.28 0.00 -0.09 0.00 -1.33 0.00 0.00 177.39 176.25 1xx8 n ALA 59 N -3.00 -0.25 0.00 -1.18 0.00 -1.25 -4.46 120.51 110.37 1xx8 n ALA 59 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1xx8 n ALA 59 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xx8 n ALA 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xx8 n ARG 60 N -1.78 0.00 -0.04 0.00 3.00 -1.26 -4.69 116.66 111.88 1xx8 n ARG 60 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.74 1xx8 n ARG 60 Cb 0.34 -0.42 -0.00 0.00 0.00 0.00 0.00 32.46 32.38 1xx8 n ARG 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xx8 h ALA 61 N 0.00 0.00 -0.73 7.54 0.00 -1.91 -3.24 119.26 120.92 1xx8 h ALA 61 Ca 0.00 -0.08 -0.75 0.00 0.00 0.00 0.00 54.91 54.08 1xx8 h ALA 61 Cb 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.73 1xx8 h ALA 61 CO 0.00 0.07 2.28 0.39 0.00 0.00 0.00 179.25 181.99 1xx8 n GLU 62 N -4.30 4.41 0.13 0.00 1.02 -1.26 -2.56 120.64 118.09 1xx8 n GLU 62 Ca -0.01 -3.52 0.00 0.00 -0.02 0.00 0.00 57.16 53.61 1xx8 n GLU 62 Cb 0.04 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 28.77 1xx8 n GLU 62 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1xx8 n ARG 63 N 2.12 0.00 0.06 3.49 0.63 -1.26 -4.67 116.66 117.03 1xx8 n ARG 63 Ca 0.57 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.39 1xx8 n ARG 63 Cb 0.27 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.11 1xx8 n ARG 63 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1xx8 h GLU 64 N 0.00 -0.22 -7.60 -0.14 5.08 -1.72 -3.45 114.58 106.53 1xx8 h GLU 64 Ca 0.00 0.01 -0.45 0.00 -1.00 0.00 0.00 59.36 57.92 1xx8 h GLU 64 Cb 0.00 0.05 0.13 0.00 0.50 0.00 0.00 28.75 29.43 1xx8 h GLU 64 CO 0.00 0.20 0.33 0.15 -1.00 0.00 0.00 179.01 178.69 1xx8 s LYS 65 N -3.51 1.14 0.00 2.33 1.02 -1.06 -5.08 119.74 114.58 1xx8 s LYS 65 Ca -0.13 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1xx8 s LYS 65 Cb 0.01 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1xx8 s LYS 65 CO 0.48 -2.01 0.00 0.36 -0.92 0.00 0.00 175.35 173.26