#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rn8 s MET 2 N 0.00 1.45 -0.09 0.03 1.00 -1.26 -5.13 119.30 115.31 1rn8 s MET 2 Ca 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 55.69 54.60 1rn8 s MET 2 Cb 0.00 -1.63 0.04 0.00 0.00 0.00 0.00 34.83 33.23 1rn8 s MET 2 CO 0.00 0.41 0.21 0.21 0.00 0.00 0.00 175.02 175.85 1rn8 s LYS 3 N -1.36 0.19 0.01 2.03 2.36 -1.26 -5.13 119.74 116.58 1rn8 s LYS 3 Ca 0.09 0.43 -0.30 0.00 -2.55 0.00 0.00 55.97 53.63 1rn8 s LYS 3 Cb -0.09 -0.07 -0.03 0.00 -1.05 0.00 0.00 37.83 36.58 1rn8 s LYS 3 CO 0.02 -0.13 1.01 0.15 1.55 0.00 0.00 175.35 177.96 1rn8 s LYS 4 N 0.93 4.54 -0.09 4.03 1.02 -1.26 -5.04 119.74 123.86 1rn8 s LYS 4 Ca -0.07 1.46 0.02 0.00 0.02 0.00 0.00 55.97 57.40 1rn8 s LYS 4 Cb -0.08 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1rn8 s LYS 4 CO -0.06 -0.08 -0.14 0.42 -0.92 0.00 0.00 175.35 174.58 1rn8 s ILE 5 N 1.03 1.33 0.21 2.17 1.01 -1.26 -5.07 121.20 120.62 1rn8 s ILE 5 Ca 0.53 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 60.31 1rn8 s ILE 5 Cb -0.22 -1.22 -0.10 0.00 0.01 0.00 0.00 42.46 40.93 1rn8 s ILE 5 CO 0.28 0.40 1.49 -1.81 0.00 0.00 0.00 174.94 175.30 1rn8 s ASP 6 N 0.89 6.63 -0.02 3.58 1.01 -1.25 -4.92 116.67 122.58 1rn8 s ASP 6 Ca -0.09 2.64 0.03 0.00 0.71 0.00 0.00 52.55 55.83 1rn8 s ASP 6 Cb -0.15 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.17 1rn8 s ASP 6 CO 0.01 -0.75 -0.10 -0.69 0.21 0.00 0.00 175.17 173.85 1rn8 s VAL 7 N 0.45 0.84 -0.19 -1.27 1.01 -1.26 -1.34 120.40 118.63 1rn8 s VAL 7 Ca 0.63 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1rn8 s VAL 7 Cb -0.42 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1rn8 s VAL 7 CO 0.39 0.25 -0.06 -0.75 0.00 0.00 0.00 175.10 174.93 1rn8 s LYS 8 N 0.06 3.42 -0.18 2.72 2.20 -0.32 -5.01 119.74 122.63 1rn8 s LYS 8 Ca -0.01 -0.62 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 1rn8 s LYS 8 Cb -0.08 -2.92 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1rn8 s LYS 8 CO 0.00 -0.05 0.90 0.42 -0.36 0.00 0.00 175.35 176.26 1rn8 s ILE 9 N 1.10 4.82 -0.07 5.43 1.01 -1.26 -1.77 121.20 130.45 1rn8 s ILE 9 Ca 0.01 1.77 0.22 0.00 0.00 0.00 0.00 60.65 62.65 1rn8 s ILE 9 Cb -0.15 -4.20 -0.28 0.00 0.01 0.00 0.00 42.46 37.85 1rn8 s ILE 9 CO -0.01 -0.04 0.57 0.18 0.00 0.00 0.00 174.94 175.65 1rn8 n LEU 10 N 5.55 0.16 -4.04 2.97 4.77 0.13 -4.86 117.00 121.68 1rn8 n LEU 10 Ca 0.07 0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.84 1rn8 n LEU 10 Cb 0.48 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.40 1rn8 n LEU 10 CO 0.49 -0.02 -0.48 -0.62 -1.33 0.00 0.00 177.39 175.43 1rn8 s ASP 11 N -4.71 2.28 0.01 -1.43 -1.08 -1.05 -4.99 116.67 105.71 1rn8 s ASP 11 Ca -0.07 -0.39 0.08 0.00 -0.52 0.00 0.00 52.55 51.66 1rn8 s ASP 11 Cb 0.13 -1.01 0.35 0.00 -1.46 0.00 0.00 42.92 40.93 1rn8 s ASP 11 CO 0.89 0.01 1.26 -0.81 0.52 0.00 0.00 175.17 177.04 1rn8 n PRO 12 N 4.16 0.01 0.21 4.34 -0.04 -1.26 -1.20 135.00 141.22 1rn8 n PRO 12 Ca -0.19 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1rn8 n PRO 12 Cb 0.51 -1.52 0.27 0.00 -0.04 0.00 0.00 33.50 32.72 1rn8 n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rn8 h ARG 13 N 0.00 0.00 -6.40 0.54 3.08 -1.95 -3.42 114.38 106.22 1rn8 h ARG 13 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1rn8 h ARG 13 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1rn8 h ARG 13 CO 0.00 0.13 0.70 0.08 -1.07 0.00 0.00 179.97 179.81 1rn8 s VAL 14 N -3.30 3.93 0.00 2.04 1.01 -0.34 -1.12 120.40 122.62 1rn8 s VAL 14 Ca 0.05 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1rn8 s VAL 14 Cb 0.07 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1rn8 s VAL 14 CO 0.66 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1rn8 n GLY 15 N 3.42 1.15 0.00 4.51 0.00 0.37 -4.88 105.19 109.75 1rn8 n GLY 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1rn8 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rn8 n LYS 16 N -2.00 0.00 0.04 1.61 4.76 -0.31 -4.79 118.16 117.47 1rn8 n LYS 16 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1rn8 n LYS 16 Cb 0.00 0.00 0.33 0.00 -1.84 0.00 0.00 35.03 33.52 1rn8 n LYS 16 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rn8 h GLU 17 N 0.00 0.42 -4.18 1.97 3.07 -1.64 -3.33 114.58 110.89 1rn8 h GLU 17 Ca 0.00 -0.09 -0.70 0.00 -0.50 0.00 0.00 59.36 58.07 1rn8 h GLU 17 Cb 0.00 -0.06 -0.34 0.00 -0.84 0.00 0.00 28.75 27.51 1rn8 h GLU 17 CO 0.00 0.49 -0.46 -0.06 -1.40 0.00 0.00 179.01 177.58 1rn8 s PHE 18 N -4.88 3.52 0.44 4.33 2.99 -0.27 -4.91 117.98 119.19 1rn8 s PHE 18 Ca -0.07 -2.44 -0.24 0.00 0.00 0.00 0.00 56.93 54.18 1rn8 s PHE 18 Cb 0.15 -3.26 -0.10 0.00 0.00 0.00 0.00 43.02 39.82 1rn8 s PHE 18 CO 0.75 -0.94 1.12 -2.30 -0.00 0.00 0.00 175.22 173.85 1rn8 n PRO 19 N 4.28 1.54 -1.70 0.24 -0.02 -1.25 -0.48 135.00 137.62 1rn8 n PRO 19 Ca 0.00 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 1rn8 n PRO 19 Cb 0.40 -2.19 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1rn8 n PRO 19 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rn8 n LEU 20 N 0.25 4.41 -4.64 2.45 7.99 -1.26 -4.59 117.00 121.61 1rn8 n LEU 20 Ca 0.09 1.00 -0.42 0.00 -0.01 0.00 0.00 56.01 56.67 1rn8 n LEU 20 Cb 0.40 -1.50 -0.00 0.00 -0.11 0.00 0.00 43.42 42.21 1rn8 n LEU 20 CO 0.57 -0.89 0.72 -2.65 -1.51 0.00 0.00 177.39 173.63 1rn8 n PRO 21 N -0.51 1.67 -3.90 3.23 -0.02 -1.26 -4.99 135.00 129.22 1rn8 n PRO 21 Ca 0.09 0.59 -0.11 0.00 -2.02 0.00 0.00 63.50 62.06 1rn8 n PRO 21 Cb 0.43 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.68 1rn8 n PRO 21 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rn8 s THR 22 N -1.16 0.09 0.03 3.45 2.01 -1.26 -4.99 115.64 113.82 1rn8 s THR 22 Ca 0.59 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1rn8 s THR 22 Cb -0.59 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1rn8 s THR 22 CO 0.59 -0.42 1.01 -0.31 -0.69 0.00 0.00 174.62 174.80 1rn8 s TYR 23 N -1.51 3.65 0.18 4.92 1.51 -1.26 -4.02 117.35 120.82 1rn8 s TYR 23 Ca -0.14 1.66 -0.12 0.00 -1.01 0.00 0.00 57.07 57.45 1rn8 s TYR 23 Cb -0.08 -3.16 0.10 0.00 -0.11 0.00 0.00 41.96 38.72 1rn8 s TYR 23 CO 0.01 -0.17 1.81 0.00 -1.11 0.00 0.00 175.55 176.09 1rn8 h ALA 24 N 6.58 0.80 -2.38 3.71 0.00 -1.95 -3.46 119.26 122.56 1rn8 h ALA 24 Ca -0.41 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 1rn8 h ALA 24 Cb 1.22 -0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 1rn8 h ALA 24 CO 0.75 0.29 -0.63 0.95 0.00 0.00 0.00 179.25 180.61 1rn8 s THR 25 N -5.94 0.44 -0.08 0.00 -4.23 -1.26 -5.01 115.64 99.56 1rn8 s THR 25 Ca -0.13 -1.99 0.29 0.00 -1.18 0.00 0.00 61.69 58.68 1rn8 s THR 25 Cb 0.13 -2.46 0.31 0.00 1.34 0.00 0.00 72.50 71.82 1rn8 s THR 25 CO 0.77 -0.13 1.87 0.77 -0.54 0.00 0.00 174.62 177.36 1rn8 h SER 26 N 2.53 0.00 -0.24 3.99 4.64 -2.04 -2.58 113.55 119.85 1rn8 h SER 26 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1rn8 h SER 26 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1rn8 h SER 26 CO 0.60 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 1rn8 n GLY 27 N -0.54 1.32 3.75 -0.77 0.00 -1.26 -4.99 105.19 102.70 1rn8 n GLY 27 Ca -0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1rn8 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rn8 s SER 28 N -1.46 7.15 0.04 1.61 0.01 -0.97 -4.96 113.70 115.12 1rn8 s SER 28 Ca 0.31 2.25 -0.05 0.00 1.31 0.00 0.00 55.95 59.77 1rn8 s SER 28 Cb 0.19 -2.62 -0.29 0.00 0.21 0.00 0.00 66.02 63.51 1rn8 s SER 28 CO 0.27 -0.28 1.00 0.00 0.41 0.00 0.00 173.24 174.63 1rn8 h ALA 29 N 4.63 0.14 -2.15 1.44 0.00 -1.94 -3.48 119.26 117.90 1rn8 h ALA 29 Ca -0.45 -0.98 -0.47 0.00 0.00 0.00 0.00 54.91 53.00 1rn8 h ALA 29 Cb 1.21 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.01 1rn8 h ALA 29 CO 0.71 1.01 -0.70 0.20 0.00 0.00 0.00 179.25 180.47 1rn8 s GLY 30 N -4.78 1.64 0.09 0.00 0.00 -1.26 -4.61 107.32 98.40 1rn8 s GLY 30 Ca -0.07 -1.79 0.10 0.00 0.00 0.00 0.00 44.72 42.96 1rn8 s GLY 30 CO 0.88 -1.80 -0.26 0.48 0.00 0.00 0.00 173.10 172.40 1rn8 s LEU 31 N -3.38 2.25 0.15 0.66 0.05 -0.45 -4.72 118.68 113.25 1rn8 s LEU 31 Ca 0.26 -0.67 -0.25 0.00 0.05 0.00 0.00 54.13 53.52 1rn8 s LEU 31 Cb 0.01 -1.21 -0.08 0.00 -2.05 0.00 0.00 46.19 42.87 1rn8 s LEU 31 CO 0.10 0.20 0.78 -1.81 -0.55 0.00 0.00 176.35 175.07 1rn8 s ASP 32 N -1.69 7.38 -0.12 1.48 1.01 -1.26 -1.23 116.67 122.24 1rn8 s ASP 32 Ca 0.12 1.64 -0.06 0.00 0.71 0.00 0.00 52.55 54.96 1rn8 s ASP 32 Cb -0.10 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1rn8 s ASP 32 CO 0.04 0.18 0.09 -0.76 0.21 0.00 0.00 175.17 174.93 1rn8 s LEU 33 N -1.01 4.06 0.01 1.23 1.43 -0.06 -4.33 118.68 120.02 1rn8 s LEU 33 Ca 0.36 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1rn8 s LEU 33 Cb -0.23 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1rn8 s LEU 33 CO 0.26 0.36 0.06 -0.13 0.23 0.00 0.00 176.35 177.13 1rn8 s ARG 34 N -0.74 2.98 -0.06 1.70 0.52 -1.26 -1.42 118.95 120.66 1rn8 s ARG 34 Ca 0.13 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 1rn8 s ARG 34 Cb -0.12 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 1rn8 s ARG 34 CO 0.03 0.63 1.34 0.00 0.02 0.00 0.00 175.30 177.32 1rn8 s ALA 35 N -1.19 3.58 -0.76 2.13 0.00 -0.74 -4.56 121.76 120.23 1rn8 s ALA 35 Ca 0.23 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 1rn8 s ALA 35 Cb -0.12 -3.60 0.20 0.00 0.00 0.00 0.00 23.12 19.60 1rn8 s ALA 35 CO 0.14 -1.00 0.69 0.00 0.00 0.00 0.00 175.76 175.60 1rn8 s LEU 37 N 0.41 2.28 0.10 0.00 1.43 -1.26 -4.33 118.68 117.32 1rn8 s LEU 37 Ca 0.15 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1rn8 s LEU 37 Cb -0.14 -0.30 -0.24 0.00 0.03 0.00 0.00 46.19 45.54 1rn8 s LEU 37 CO -0.06 -0.17 1.22 0.78 0.23 0.00 0.00 176.35 178.35 1rn8 h ASN 38 N 4.33 0.19 -5.18 2.29 2.35 -2.01 -3.43 115.58 114.12 1rn8 h ASN 38 Ca -0.38 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.08 1rn8 h ASN 38 Cb 1.20 -0.06 -0.14 0.00 0.05 0.00 0.00 38.32 39.37 1rn8 h ASN 38 CO 0.42 1.16 -0.39 -1.81 -1.65 0.00 0.00 177.43 175.16 1rn8 s ASP 39 N -6.91 0.14 0.59 5.81 1.11 -1.26 -5.01 116.67 111.14 1rn8 s ASP 39 Ca -0.01 -0.70 -0.19 0.00 0.18 0.00 0.00 52.55 51.83 1rn8 s ASP 39 Cb 0.09 0.34 -0.05 0.00 1.07 0.00 0.00 42.92 44.36 1rn8 s ASP 39 CO 0.85 -0.74 0.93 0.00 1.18 0.00 0.00 175.17 177.39 1rn8 n ALA 40 N -0.07 0.07 -3.89 5.23 0.00 -1.26 -4.63 120.51 115.97 1rn8 n ALA 40 Ca -0.14 0.01 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 1rn8 n ALA 40 Cb 0.62 -2.09 -0.16 0.00 0.00 0.00 0.00 19.45 17.82 1rn8 n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rn8 s VAL 41 N -1.52 2.02 -0.16 0.00 1.01 -0.30 -4.97 120.40 116.47 1rn8 s VAL 41 Ca 0.75 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1rn8 s VAL 41 Cb -0.43 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1rn8 s VAL 41 CO 0.48 0.54 0.69 -0.70 0.00 0.00 0.00 175.10 176.10 1rn8 s GLU 42 N 1.06 4.28 -0.29 2.72 2.56 -1.26 -0.30 118.70 127.47 1rn8 s GLU 42 Ca -0.01 0.76 0.00 0.00 0.00 0.00 0.00 54.97 55.72 1rn8 s GLU 42 Cb -0.14 -3.55 0.06 0.00 2.00 0.00 0.00 34.13 32.50 1rn8 s GLU 42 CO -0.07 -0.19 -0.03 -1.17 -0.56 0.00 0.00 175.26 173.24 1rn8 s LEU 43 N 1.72 3.88 0.72 2.70 2.96 0.70 -4.96 118.68 126.41 1rn8 s LEU 43 Ca 0.33 -1.44 -0.12 0.00 -0.22 0.00 0.00 54.13 52.68 1rn8 s LEU 43 Cb -0.16 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 44.91 1rn8 s LEU 43 CO 0.12 -0.26 1.09 0.00 -1.32 0.00 0.00 176.35 175.98 1rn8 s ALA 44 N 1.16 2.39 0.19 5.97 0.00 -1.26 -1.90 121.76 128.30 1rn8 s ALA 44 Ca -0.05 0.33 -0.33 0.00 0.00 0.00 0.00 51.96 51.91 1rn8 s ALA 44 Cb -0.20 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 1rn8 s ALA 44 CO -0.03 -1.53 1.48 -2.30 0.00 0.00 0.00 175.76 173.38 1rn8 n PRO 45 N -3.11 2.02 0.00 0.00 -0.02 -1.26 -1.58 135.00 131.05 1rn8 n PRO 45 Ca 0.09 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1rn8 n PRO 45 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1rn8 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rn8 n GLY 46 N 2.79 2.54 3.92 -1.23 0.00 0.56 -5.04 105.19 108.73 1rn8 n GLY 46 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1rn8 n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rn8 s ASP 47 N -2.71 5.71 0.02 1.61 -0.00 -0.62 -4.79 116.67 115.90 1rn8 s ASP 47 Ca 0.00 0.65 0.06 0.00 -0.00 0.00 0.00 52.55 53.26 1rn8 s ASP 47 Cb 0.00 -1.73 -0.02 0.00 -0.00 0.00 0.00 42.92 41.17 1rn8 s ASP 47 CO 0.00 -0.94 -0.18 -0.89 -0.00 0.00 0.00 175.17 173.16 1rn8 s THR 48 N -2.88 1.43 0.01 -1.27 2.01 -1.26 -1.47 115.64 112.22 1rn8 s THR 48 Ca 0.52 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1rn8 s THR 48 Cb -0.10 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1rn8 s THR 48 CO 0.44 0.24 -0.02 0.28 -0.69 0.00 0.00 174.62 174.87 1rn8 s THR 49 N -0.64 0.06 -0.31 -0.82 -1.32 -0.00 -4.98 115.64 107.62 1rn8 s THR 49 Ca 0.06 -0.47 -0.21 0.00 -1.21 0.00 0.00 61.69 59.86 1rn8 s THR 49 Cb -0.08 -0.14 -0.01 0.00 -1.51 0.00 0.00 72.50 70.77 1rn8 s THR 49 CO 0.01 -0.26 0.69 -0.22 -2.21 0.00 0.00 174.62 172.63 1rn8 s LEU 50 N -0.75 4.13 -0.25 9.08 2.96 -1.26 -1.01 118.68 131.58 1rn8 s LEU 50 Ca -0.08 0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 1rn8 s LEU 50 Cb -0.05 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 1rn8 s LEU 50 CO -0.01 -0.53 0.10 -0.69 -1.32 0.00 0.00 176.35 173.91 1rn8 s VAL 51 N 2.74 4.69 0.58 1.68 1.01 0.13 -4.94 120.40 126.29 1rn8 s VAL 51 Ca 0.28 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 1rn8 s VAL 51 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1rn8 s VAL 51 CO 0.12 0.33 1.10 -2.84 0.00 0.00 0.00 175.10 173.81 1rn8 s PRO 52 N 1.43 3.25 -0.02 2.72 0.02 -1.26 -0.63 135.00 140.52 1rn8 s PRO 52 Ca 0.06 1.44 0.21 0.00 0.02 0.00 0.00 61.00 62.73 1rn8 s PRO 52 Cb -0.15 -2.01 -0.30 0.00 0.02 0.00 0.00 34.50 32.06 1rn8 s PRO 52 CO 0.05 -0.90 0.62 0.25 -0.33 0.00 0.00 177.00 176.69 1rn8 n THR 53 N -1.71 0.00 -1.17 0.99 -2.24 -1.08 -1.23 114.28 107.84 1rn8 n THR 53 Ca 0.10 -0.33 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 1rn8 n THR 53 Cb 0.52 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 1rn8 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rn8 n GLY 54 N 1.35 0.82 3.20 3.38 0.00 -1.26 -4.58 105.19 108.09 1rn8 n GLY 54 Ca -0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1rn8 n GLY 54 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1rn8 s LEU 55 N -1.34 1.37 -0.02 0.99 0.05 -1.26 -0.69 118.68 117.78 1rn8 s LEU 55 Ca 0.00 -0.57 0.06 0.00 0.05 0.00 0.00 54.13 53.66 1rn8 s LEU 55 Cb 0.00 1.05 -0.01 0.00 -2.05 0.00 0.00 46.19 45.18 1rn8 s LEU 55 CO 0.00 -0.69 -0.19 0.00 -0.55 0.00 0.00 176.35 174.91 1rn8 s ALA 56 N -3.56 1.63 0.26 1.48 0.00 -0.73 -0.76 121.76 120.09 1rn8 s ALA 56 Ca 0.03 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 51.27 1rn8 s ALA 56 Cb 0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1rn8 s ALA 56 CO -0.09 0.38 -0.10 0.96 0.00 0.00 0.00 175.76 176.91 1rn8 s ILE 57 N -0.35 3.01 -0.36 0.00 -4.36 -1.26 -1.18 121.20 116.70 1rn8 s ILE 57 Ca 0.05 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.33 1rn8 s ILE 57 Cb -0.09 -2.59 0.12 0.00 1.25 0.00 0.00 42.46 41.16 1rn8 s ILE 57 CO 0.00 -0.36 0.16 -2.28 0.24 0.00 0.00 174.94 172.70 1rn8 s HIS 58 N -2.35 1.62 0.21 1.37 2.46 -0.45 -4.28 115.29 113.87 1rn8 s HIS 58 Ca 0.30 -1.92 -0.09 0.00 0.47 0.00 0.00 55.06 53.82 1rn8 s HIS 58 Cb -0.06 -1.64 0.16 0.00 -0.13 0.00 0.00 32.58 30.91 1rn8 s HIS 58 CO 0.17 -0.84 1.82 0.82 -2.47 0.00 0.00 174.74 174.25 1rn8 h ILE 59 N 5.87 1.24 0.00 0.89 2.04 -1.82 -3.33 117.51 122.41 1rn8 h ILE 59 Ca -0.07 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1rn8 h ILE 59 Cb 0.98 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1rn8 h ILE 59 CO 0.45 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.87 1rn8 n ALA 60 N -2.38 0.00 -2.64 1.87 0.00 0.24 -4.91 120.51 112.69 1rn8 n ALA 60 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1rn8 n ALA 60 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1rn8 n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rn8 s ASP 61 N 0.00 6.92 0.00 0.00 -1.08 -1.26 -4.83 116.67 116.42 1rn8 s ASP 61 Ca 0.00 1.07 0.11 0.00 -0.52 0.00 0.00 52.55 53.20 1rn8 s ASP 61 Cb 0.00 -2.51 0.51 0.00 -1.46 0.00 0.00 42.92 39.46 1rn8 s ASP 61 CO 0.00 -0.75 1.29 -0.81 0.52 0.00 0.00 175.17 175.42 1rn8 n PRO 62 N 6.54 0.09 -0.01 4.34 -0.04 -1.26 -1.62 135.00 143.04 1rn8 n PRO 62 Ca 0.10 0.24 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 1rn8 n PRO 62 Cb 0.47 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.15 1rn8 n PRO 62 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1rn8 n SER 63 N -1.38 0.69 -4.18 3.54 7.64 -1.26 -4.81 113.62 113.86 1rn8 n SER 63 Ca 0.04 -1.27 -0.22 0.00 1.01 0.00 0.00 58.87 58.43 1rn8 n SER 63 Cb 0.10 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.16 1rn8 n SER 63 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rn8 s LEU 64 N -1.94 2.17 0.24 -3.43 1.43 -0.64 -1.14 118.68 115.36 1rn8 s LEU 64 Ca 0.42 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1rn8 s LEU 64 Cb 0.21 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 1rn8 s LEU 64 CO 0.34 0.08 0.13 0.00 0.23 0.00 0.00 176.35 177.13 1rn8 s ALA 65 N -0.82 1.50 0.15 4.21 0.00 -0.60 -4.15 121.76 122.04 1rn8 s ALA 65 Ca 0.04 -1.78 0.11 0.00 0.00 0.00 0.00 51.96 50.32 1rn8 s ALA 65 Cb -0.08 1.23 -0.04 0.00 0.00 0.00 0.00 23.12 24.23 1rn8 s ALA 65 CO 0.01 -0.53 -0.25 0.00 0.00 0.00 0.00 175.76 174.99 1rn8 s ALA 66 N -3.92 2.39 -0.11 0.00 0.00 -1.01 -1.09 121.76 118.02 1rn8 s ALA 66 Ca 0.38 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1rn8 s ALA 66 Cb 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1rn8 s ALA 66 CO 0.14 0.48 -0.18 -1.64 0.00 0.00 0.00 175.76 174.56 1rn8 s MET 67 N -2.28 2.52 0.02 0.00 -1.94 0.32 -0.52 119.30 117.42 1rn8 s MET 67 Ca 0.16 -0.68 -0.19 0.00 -1.71 0.00 0.00 55.69 53.27 1rn8 s MET 67 Cb -0.09 -2.05 -0.06 0.00 2.01 0.00 0.00 34.83 34.64 1rn8 s MET 67 CO 0.07 0.01 0.56 -1.64 -0.01 0.00 0.00 175.02 174.01 1rn8 s MET 68 N 0.78 4.24 0.11 2.03 -1.94 0.98 -1.23 119.30 124.28 1rn8 s MET 68 Ca -0.10 0.69 0.03 0.00 -1.71 0.00 0.00 55.69 54.59 1rn8 s MET 68 Cb -0.16 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 1rn8 s MET 68 CO 0.01 0.48 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.91 1rn8 s LEU 69 N -0.55 2.49 0.79 -0.03 1.43 0.34 -1.30 118.68 121.86 1rn8 s LEU 69 Ca 0.29 -0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 1rn8 s LEU 69 Cb -0.18 -0.16 0.07 0.00 0.03 0.00 0.00 46.19 45.94 1rn8 s LEU 69 CO 0.17 -0.40 1.18 -2.84 0.23 0.00 0.00 176.35 174.70 1rn8 s PRO 70 N -3.55 1.81 0.22 1.29 0.02 -1.26 -1.22 135.00 132.30 1rn8 s PRO 70 Ca 0.11 1.66 -0.25 0.00 0.02 0.00 0.00 61.00 62.54 1rn8 s PRO 70 Cb 0.03 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.66 1rn8 s PRO 70 CO -0.03 -2.06 0.82 1.03 -0.33 0.00 0.00 177.00 176.43 1rn8 s ARG 71 N -4.20 4.55 0.16 5.54 0.52 -1.26 -4.64 118.95 119.61 1rn8 s ARG 71 Ca 0.71 1.17 -0.11 0.00 -0.52 0.00 0.00 55.73 56.98 1rn8 s ARG 71 Cb -0.26 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.12 1rn8 s ARG 71 CO 0.50 0.48 1.59 0.66 0.02 0.00 0.00 175.30 178.54 1rn8 h SER 72 N 3.91 0.95 -0.01 0.23 4.64 -1.95 -1.54 113.55 119.77 1rn8 h SER 72 Ca -0.47 -0.34 -0.00 0.00 -0.47 0.00 0.00 61.79 60.51 1rn8 h SER 72 Cb 1.20 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1rn8 h SER 72 CO 0.66 1.07 0.00 1.23 -0.87 0.00 0.00 176.83 178.92 1rn8 h GLY 73 N 0.82 0.01 0.63 -0.77 0.00 -1.97 0.13 103.07 101.92 1rn8 h GLY 73 Ca 0.14 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.52 1rn8 h GLY 73 CO 0.04 0.01 0.34 1.41 0.00 0.00 0.00 176.54 178.33 1rn8 h LEU 74 N -0.12 0.48 0.07 3.11 3.38 -1.85 -0.48 115.31 119.91 1rn8 h LEU 74 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rn8 h LEU 74 Cb 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rn8 h LEU 74 CO -0.00 0.31 -0.04 1.23 0.09 0.00 0.00 178.44 180.03 1rn8 h GLY 75 N 0.62 -0.10 0.62 0.83 0.00 -1.11 -0.81 103.07 103.11 1rn8 h GLY 75 Ca 0.29 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 1rn8 h GLY 75 CO -0.20 -0.04 -0.01 0.84 0.00 0.00 0.00 176.54 177.13 1rn8 h HIS 76 N -0.46 -0.02 0.11 5.60 -0.00 -0.66 -2.35 115.15 117.38 1rn8 h HIS 76 Ca -0.01 -0.00 -0.31 0.00 -0.00 0.00 0.00 60.37 60.05 1rn8 h HIS 76 Cb 0.39 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 1rn8 h HIS 76 CO 0.04 0.36 -1.57 0.87 -0.00 0.00 0.00 177.93 177.63 1rn8 h LYS 77 N -0.40 0.24 -0.00 5.26 1.57 -1.22 -3.40 116.57 118.61 1rn8 h LYS 77 Ca -0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1rn8 h LYS 77 Cb 0.39 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1rn8 h LYS 77 CO 0.00 1.09 -0.14 0.72 -0.57 0.00 0.00 179.45 180.55 1rn8 n HIS 78 N -3.43 0.00 -2.18 -1.35 8.25 -0.68 -5.01 115.22 110.82 1rn8 n HIS 78 Ca -0.17 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.11 1rn8 n HIS 78 Cb 1.04 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.13 1rn8 n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rn8 n GLY 79 N 0.77 0.05 3.42 -1.41 0.00 -0.49 -4.59 105.19 102.94 1rn8 n GLY 79 Ca 0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1rn8 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rn8 s ILE 80 N -2.85 5.14 0.00 -0.61 -1.09 -0.43 -0.68 121.20 120.68 1rn8 s ILE 80 Ca 0.00 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1rn8 s ILE 80 Cb 0.00 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1rn8 s ILE 80 CO 0.00 -0.39 0.00 1.33 -1.23 0.00 0.00 174.94 174.65 1rn8 n VAL 81 N 5.15 0.00 -4.28 2.92 0.24 -0.43 -3.10 118.33 118.82 1rn8 n VAL 81 Ca -0.11 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.84 1rn8 n VAL 81 Cb 0.46 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.73 1rn8 n VAL 81 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1rn8 s LEU 82 N 0.00 3.58 0.46 1.34 1.43 -1.26 -1.19 118.68 123.03 1rn8 s LEU 82 Ca 0.00 0.07 0.18 0.00 -1.03 0.00 0.00 54.13 53.36 1rn8 s LEU 82 Cb 0.00 -1.85 1.10 0.00 0.03 0.00 0.00 46.19 45.47 1rn8 s LEU 82 CO 0.00 0.28 1.99 1.23 0.23 0.00 0.00 176.35 180.08 1rn8 h GLY 83 N 5.88 0.00 -2.12 -3.19 0.00 -1.33 -1.23 103.07 101.09 1rn8 h GLY 83 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1rn8 h GLY 83 CO 0.60 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.30 1rn8 n ASN 84 N -4.05 3.19 0.00 0.19 6.94 -1.26 -5.00 115.26 115.27 1rn8 n ASN 84 Ca -0.02 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 1rn8 n ASN 84 Cb 0.27 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 1rn8 n ASN 84 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1rn8 n LEU 85 N 1.28 0.00 -3.93 -4.53 4.77 -0.46 -4.65 117.00 109.47 1rn8 n LEU 85 Ca 0.20 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 1rn8 n LEU 85 Cb 0.54 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 1rn8 n LEU 85 CO 0.15 0.00 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.10 1rn8 s VAL 86 N 0.00 0.65 -0.21 4.08 1.01 -1.26 -4.49 120.40 120.18 1rn8 s VAL 86 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1rn8 s VAL 86 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1rn8 s VAL 86 CO 0.00 0.24 0.28 -0.83 0.00 0.00 0.00 175.10 174.79 1rn8 s GLY 87 N 0.70 2.06 -0.24 4.51 0.00 -0.42 -4.91 107.32 109.02 1rn8 s GLY 87 Ca -0.10 -0.66 -0.08 0.00 0.00 0.00 0.00 44.72 43.88 1rn8 s GLY 87 CO 0.01 0.56 0.08 -2.27 0.00 0.00 0.00 173.10 171.48 1rn8 s LEU 88 N 1.04 3.56 -0.29 0.66 2.96 -1.26 -0.01 118.68 125.34 1rn8 s LEU 88 Ca 0.14 -0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 1rn8 s LEU 88 Cb -0.14 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1rn8 s LEU 88 CO 0.05 -0.00 0.15 -0.63 -1.32 0.00 0.00 176.35 174.60 1rn8 s ILE 89 N 1.44 4.81 0.51 6.68 -1.09 0.32 -5.00 121.20 128.88 1rn8 s ILE 89 Ca 0.06 -0.16 -0.19 0.00 -2.23 0.00 0.00 60.65 58.12 1rn8 s ILE 89 Cb -0.15 -3.36 -0.08 0.00 -1.58 0.00 0.00 42.46 37.30 1rn8 s ILE 89 CO 0.04 0.18 1.04 -1.81 -1.23 0.00 0.00 174.94 173.16 1rn8 s ASP 90 N 1.67 6.25 0.51 3.58 1.01 -1.26 -2.41 116.67 126.02 1rn8 s ASP 90 Ca 0.06 1.90 0.18 0.00 0.71 0.00 0.00 52.55 55.39 1rn8 s ASP 90 Cb -0.16 -2.55 1.26 0.00 1.01 0.00 0.00 42.92 42.47 1rn8 s ASP 90 CO 0.07 -0.84 2.11 0.77 0.21 0.00 0.00 175.17 177.49 1rn8 h SER 91 N 1.34 0.00 -0.44 0.27 4.64 -1.86 -1.94 113.55 115.56 1rn8 h SER 91 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1rn8 h SER 91 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1rn8 h SER 91 CO 0.59 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1rn8 n ASP 92 N -4.35 3.33 -4.69 4.97 5.75 -1.26 -0.59 116.55 119.71 1rn8 n ASP 92 Ca -0.03 -1.97 -0.42 0.00 -0.01 0.00 0.00 54.79 52.36 1rn8 n ASP 92 Cb 0.14 -0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 1rn8 n ASP 92 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1rn8 s TYR 93 N -1.43 3.15 0.00 2.11 6.14 -0.73 -4.90 117.35 121.68 1rn8 s TYR 93 Ca 0.40 1.19 0.00 0.00 0.64 0.00 0.00 57.07 59.29 1rn8 s TYR 93 Cb 0.22 -3.44 0.00 0.00 0.42 0.00 0.00 41.96 39.17 1rn8 s TYR 93 CO 0.31 -1.38 0.95 1.04 0.64 0.00 0.00 175.55 177.11 1rn8 n GLN 94 N 5.32 2.65 -1.87 4.97 6.02 -1.26 -4.44 117.38 128.76 1rn8 n GLN 94 Ca 0.11 -1.39 -0.30 0.00 -0.01 0.00 0.00 57.00 55.41 1rn8 n GLN 94 Cb 0.46 -0.97 0.19 0.00 1.02 0.00 0.00 30.24 30.94 1rn8 n GLN 94 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1rn8 s GLY 95 N -0.89 1.76 0.28 1.08 0.00 -1.26 -4.76 107.32 103.53 1rn8 s GLY 95 Ca 0.00 -1.17 -0.30 0.00 0.00 0.00 0.00 44.72 43.25 1rn8 s GLY 95 CO 0.00 -0.40 1.47 1.62 0.00 0.00 0.00 173.10 175.78 1rn8 s GLN 96 N -5.85 4.23 -0.04 2.90 0.74 -1.26 -4.26 119.66 116.11 1rn8 s GLN 96 Ca 0.74 2.38 -0.30 0.00 0.05 0.00 0.00 55.36 58.23 1rn8 s GLN 96 Cb -0.04 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 1rn8 s GLN 96 CO 0.53 -0.46 1.32 -0.51 -0.55 0.00 0.00 175.29 175.63 1rn8 s LEU 97 N -0.73 4.28 0.06 3.68 1.43 0.06 -4.97 118.68 122.49 1rn8 s LEU 97 Ca 0.58 1.96 0.08 0.00 -1.03 0.00 0.00 54.13 55.71 1rn8 s LEU 97 Cb -0.43 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 1rn8 s LEU 97 CO 0.47 -0.69 -0.18 -0.04 0.23 0.00 0.00 176.35 176.14 1rn8 s MET 98 N 2.56 1.99 -0.20 1.70 -1.94 -1.26 -2.64 119.30 119.51 1rn8 s MET 98 Ca 0.60 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1rn8 s MET 98 Cb -0.28 -2.16 0.02 0.00 2.01 0.00 0.00 34.83 34.42 1rn8 s MET 98 CO 0.23 0.53 -0.16 0.42 -0.01 0.00 0.00 175.02 176.03 1rn8 s ILE 99 N -0.97 2.29 -0.59 2.53 1.01 0.20 -4.97 121.20 120.70 1rn8 s ILE 99 Ca 0.15 -0.95 -0.25 0.00 0.00 0.00 0.00 60.65 59.60 1rn8 s ILE 99 Cb -0.10 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.38 1rn8 s ILE 99 CO 0.06 0.45 1.02 -0.55 0.00 0.00 0.00 174.94 175.93 1rn8 s SER 100 N 1.30 6.32 -0.25 3.58 0.15 -1.26 0.18 113.70 123.72 1rn8 s SER 100 Ca 0.04 -0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.20 1rn8 s SER 100 Cb -0.14 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1rn8 s SER 100 CO -0.10 -1.36 0.21 -0.69 1.20 0.00 0.00 173.24 172.49 1rn8 s VAL 101 N 4.32 5.32 -0.11 4.45 1.01 -0.18 -0.95 120.40 134.25 1rn8 s VAL 101 Ca 0.32 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1rn8 s VAL 101 Cb -0.12 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1rn8 s VAL 101 CO 0.19 0.30 -0.22 0.86 0.00 0.00 0.00 175.10 176.23 1rn8 s TRP 102 N 1.33 2.47 -0.62 5.22 -0.00 -0.34 -0.82 118.94 126.19 1rn8 s TRP 102 Ca 0.09 -1.11 -0.23 0.00 -0.00 0.00 0.00 56.10 54.85 1rn8 s TRP 102 Cb -0.14 -1.68 0.06 0.00 -0.00 0.00 0.00 33.47 31.71 1rn8 s TRP 102 CO 0.07 -0.48 0.93 1.21 -0.00 0.00 0.00 176.95 178.68 1rn8 s ASN 103 N 0.59 6.22 0.00 5.86 3.84 -0.54 -1.32 114.94 129.59 1rn8 s ASN 103 Ca -0.13 -0.81 0.28 0.00 0.21 0.00 0.00 52.86 52.40 1rn8 s ASN 103 Cb -0.17 -2.41 1.01 0.00 -0.55 0.00 0.00 41.25 39.13 1rn8 s ASN 103 CO 0.04 -1.34 1.73 -2.11 -2.79 0.00 0.00 177.10 172.62 1rn8 n ARG 104 N 7.52 0.79 -0.10 0.43 1.85 0.14 -0.32 116.66 126.98 1rn8 n ARG 104 Ca -0.03 -0.38 0.00 0.00 -1.00 0.00 0.00 57.85 56.45 1rn8 n ARG 104 Cb 0.46 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.38 1rn8 n ARG 104 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rn8 n GLY 105 N 1.30 1.80 0.15 2.89 0.00 -1.25 -4.85 105.19 105.23 1rn8 n GLY 105 Ca 0.14 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 44.17 1rn8 n GLY 105 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rn8 n GLN 106 N -0.10 2.73 -4.79 1.61 3.00 -1.26 -3.97 117.38 114.60 1rn8 n GLN 106 Ca 0.00 -0.41 -0.32 0.00 -0.01 0.00 0.00 57.00 56.27 1rn8 n GLN 106 Cb 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 30.24 29.10 1rn8 n GLN 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1rn8 s ASP 107 N -1.43 3.87 0.75 1.08 -0.00 -1.26 -4.81 116.67 114.88 1rn8 s ASP 107 Ca 0.06 -0.33 -0.15 0.00 -0.00 0.00 0.00 52.55 52.13 1rn8 s ASP 107 Cb 0.07 -0.70 0.05 0.00 -0.00 0.00 0.00 42.92 42.33 1rn8 s ASP 107 CO 0.26 0.29 1.24 -0.24 -0.00 0.00 0.00 175.17 176.73 1rn8 n SER 108 N 1.89 1.46 -3.81 0.27 2.88 -1.26 -4.41 113.62 110.65 1rn8 n SER 108 Ca -0.16 0.68 -0.13 0.00 -1.33 0.00 0.00 58.87 57.93 1rn8 n SER 108 Cb 0.52 -1.53 -0.14 0.00 -0.75 0.00 0.00 64.21 62.31 1rn8 n SER 108 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1rn8 s PHE 109 N -1.83 -0.12 -0.32 0.66 5.36 -0.80 -4.98 117.98 115.94 1rn8 s PHE 109 Ca 0.77 0.32 -0.14 0.00 -0.96 0.00 0.00 56.93 56.92 1rn8 s PHE 109 Cb -0.33 -0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.32 1rn8 s PHE 109 CO 0.46 -0.08 0.32 0.99 -1.46 0.00 0.00 175.22 175.45 1rn8 s THR 110 N 0.40 5.21 -0.25 0.12 2.01 -1.26 -0.21 115.64 121.65 1rn8 s THR 110 Ca -0.03 0.08 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 1rn8 s THR 110 Cb -0.04 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1rn8 s THR 110 CO -0.02 -0.01 0.83 -0.63 -0.69 0.00 0.00 174.62 174.11 1rn8 s ILE 111 N 1.94 4.82 -0.04 1.82 1.01 0.59 -4.93 121.20 126.42 1rn8 s ILE 111 Ca 0.11 1.53 -0.04 0.00 0.00 0.00 0.00 60.65 62.25 1rn8 s ILE 111 Cb -0.17 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1rn8 s ILE 111 CO 0.11 -0.11 0.17 -1.10 0.00 0.00 0.00 174.94 174.02 1rn8 s GLN 112 N 2.88 3.44 0.20 2.79 -1.52 -1.26 -1.15 119.66 125.03 1rn8 s GLN 112 Ca 0.35 -0.26 -0.32 0.00 -1.95 0.00 0.00 55.36 53.17 1rn8 s GLN 112 Cb -0.15 -3.12 -0.15 0.00 -0.22 0.00 0.00 33.01 29.37 1rn8 s GLN 112 CO 0.08 0.71 1.31 -2.30 -0.25 0.00 0.00 175.29 174.84 1rn8 n PRO 113 N 1.26 1.61 0.00 2.91 -0.02 -1.26 -2.10 135.00 137.40 1rn8 n PRO 113 Ca -0.14 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1rn8 n PRO 113 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1rn8 n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rn8 n GLY 114 N 2.20 2.25 3.75 -1.23 0.00 0.20 -4.96 105.19 107.39 1rn8 n GLY 114 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1rn8 n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rn8 s GLU 115 N -0.28 4.29 -0.39 1.61 2.12 -0.89 -4.56 118.70 120.60 1rn8 s GLU 115 Ca 0.00 2.26 -0.28 0.00 0.36 0.00 0.00 54.97 57.30 1rn8 s GLU 115 Cb 0.00 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 1rn8 s GLU 115 CO 0.00 -0.38 1.70 1.03 -0.54 0.00 0.00 175.26 177.08 1rn8 s ARG 116 N -0.45 3.30 -0.00 4.30 0.52 -1.26 -1.79 118.95 123.57 1rn8 s ARG 116 Ca 0.58 1.17 0.06 0.00 -0.52 0.00 0.00 55.73 57.02 1rn8 s ARG 116 Cb -0.41 -4.18 -0.07 0.00 0.52 0.00 0.00 34.95 30.81 1rn8 s ARG 116 CO 0.43 -1.90 0.18 1.51 0.02 0.00 0.00 175.30 175.54 1rn8 n ILE 117 N 7.29 0.00 -3.85 1.52 0.13 -0.51 -4.98 119.36 118.97 1rn8 n ILE 117 Ca 0.21 -0.25 -0.08 0.00 -1.10 0.00 0.00 62.75 61.52 1rn8 n ILE 117 Cb 0.48 0.69 0.00 0.00 -0.84 0.00 0.00 39.64 39.97 1rn8 n ILE 117 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1rn8 s ALA 118 N -1.95 -0.85 0.17 1.51 0.00 -1.22 -4.53 121.76 114.88 1rn8 s ALA 118 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1rn8 s ALA 118 Cb 0.04 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1rn8 s ALA 118 CO 0.23 -1.00 0.04 1.14 0.00 0.00 0.00 175.76 176.18 1rn8 s GLN 119 N -3.03 1.07 -0.07 0.00 -2.07 -0.35 -0.88 119.66 114.32 1rn8 s GLN 119 Ca 0.15 -1.52 -0.04 0.00 -1.82 0.00 0.00 55.36 52.12 1rn8 s GLN 119 Cb -0.05 -0.03 0.03 0.00 -1.09 0.00 0.00 33.01 31.87 1rn8 s GLN 119 CO 0.10 -0.21 0.17 1.41 -1.32 0.00 0.00 175.29 175.44 1rn8 s MET 120 N -3.99 0.15 0.23 9.60 1.75 -0.37 -0.50 119.30 126.16 1rn8 s MET 120 Ca 0.26 0.34 0.10 0.00 -1.25 0.00 0.00 55.69 55.15 1rn8 s MET 120 Cb 0.07 -0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.63 1rn8 s MET 120 CO 0.04 -0.11 -0.13 0.96 -0.65 0.00 0.00 175.02 175.13 1rn8 s ILE 121 N 0.77 2.90 -0.18 10.11 -4.36 -0.36 -1.34 121.20 128.75 1rn8 s ILE 121 Ca -0.06 -1.98 -0.03 0.00 -0.26 0.00 0.00 60.65 58.33 1rn8 s ILE 121 Cb -0.07 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.15 1rn8 s ILE 121 CO -0.04 -0.24 -0.07 -0.36 0.24 0.00 0.00 174.94 174.47 1rn8 s PHE 122 N -2.03 2.92 0.03 1.37 0.08 -1.26 -0.52 117.98 118.57 1rn8 s PHE 122 Ca 0.27 -0.76 0.05 0.00 0.12 0.00 0.00 56.93 56.61 1rn8 s PHE 122 Cb -0.07 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1rn8 s PHE 122 CO 0.15 -0.37 -0.16 0.14 -0.10 0.00 0.00 175.22 174.88 1rn8 s VAL 123 N 0.96 1.26 0.38 -0.44 -7.23 -0.25 -4.99 120.40 110.08 1rn8 s VAL 123 Ca -0.01 -0.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.92 1rn8 s VAL 123 Cb -0.15 -1.11 -0.11 0.00 0.56 0.00 0.00 36.38 35.58 1rn8 s VAL 123 CO 0.00 0.13 1.48 -2.84 -0.31 0.00 0.00 175.10 173.56 1rn8 s PRO 124 N -0.96 4.10 0.10 4.82 0.02 -1.26 -1.56 135.00 140.26 1rn8 s PRO 124 Ca 0.04 2.55 0.06 0.00 0.02 0.00 0.00 61.00 63.67 1rn8 s PRO 124 Cb -0.08 -2.96 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 1rn8 s PRO 124 CO 0.01 -0.53 -0.15 0.14 -0.33 0.00 0.00 177.00 176.14 1rn8 s VAL 125 N -1.13 1.32 -0.09 3.83 -7.23 -0.29 -4.84 120.40 111.96 1rn8 s VAL 125 Ca 0.53 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.16 1rn8 s VAL 125 Cb -0.46 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 1rn8 s VAL 125 CO 0.63 -0.31 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.21 1rn8 s VAL 126 N -1.75 2.45 -0.25 1.32 1.01 -1.26 -4.57 120.40 117.35 1rn8 s VAL 126 Ca 0.05 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1rn8 s VAL 126 Cb -0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1rn8 s VAL 126 CO 0.03 0.55 0.51 -1.10 0.00 0.00 0.00 175.10 175.09 1rn8 s GLN 127 N 0.11 4.10 0.22 2.72 -0.21 -1.26 -5.06 119.66 120.28 1rn8 s GLN 127 Ca -0.10 0.33 -0.24 0.00 0.02 0.00 0.00 55.36 55.37 1rn8 s GLN 127 Cb -0.16 -3.63 -0.09 0.00 1.00 0.00 0.00 33.01 30.14 1rn8 s GLN 127 CO 0.06 -0.30 0.81 0.00 -2.12 0.00 0.00 175.29 173.74 1rn8 s ALA 128 N 2.13 3.38 -0.21 6.09 0.00 -1.26 -5.06 121.76 126.83 1rn8 s ALA 128 Ca 0.22 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 1rn8 s ALA 128 Cb -0.16 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1rn8 s ALA 128 CO 0.09 0.27 -0.05 -2.00 0.00 0.00 0.00 175.76 174.08 1rn8 s GLU 129 N -1.60 3.41 0.20 0.00 2.12 -1.26 -5.11 118.70 116.46 1rn8 s GLU 129 Ca 0.41 -0.62 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 1rn8 s GLU 129 Cb -0.20 -2.98 -0.08 0.00 0.26 0.00 0.00 34.13 31.13 1rn8 s GLU 129 CO 0.24 -0.13 1.06 -0.06 -0.54 0.00 0.00 175.26 175.84 1rn8 s PHE 130 N 1.30 3.67 -0.31 5.30 2.99 -1.26 -5.02 117.98 124.65 1rn8 s PHE 130 Ca 0.04 1.68 0.02 0.00 0.00 0.00 0.00 56.93 58.67 1rn8 s PHE 130 Cb -0.14 -3.21 0.08 0.00 0.00 0.00 0.00 43.02 39.74 1rn8 s PHE 130 CO -0.02 -0.37 -0.01 1.21 -0.00 0.00 0.00 175.22 176.04 1rn8 s ASN 131 N -0.37 4.70 0.11 1.36 2.47 -1.26 -5.09 114.94 116.86 1rn8 s ASN 131 Ca 0.47 -1.75 -0.31 0.00 0.42 0.00 0.00 52.86 51.70 1rn8 s ASN 131 Cb -0.29 -1.63 -0.07 0.00 -1.45 0.00 0.00 41.25 37.82 1rn8 s ASN 131 CO 0.35 -0.31 1.27 -0.76 -3.72 0.00 0.00 177.10 173.94 1rn8 s LEU 132 N 1.04 4.38 0.09 3.21 1.02 -1.26 -5.02 118.68 122.14 1rn8 s LEU 132 Ca 0.01 2.18 0.04 0.00 0.02 0.00 0.00 54.13 56.38 1rn8 s LEU 132 Cb -0.20 -3.59 -0.03 0.00 0.02 0.00 0.00 46.19 42.39 1rn8 s LEU 132 CO -0.06 -0.52 -0.10 0.68 0.02 0.00 0.00 176.35 176.37 1rn8 s VAL 133 N 0.85 0.90 0.07 -1.59 -7.23 -1.26 -5.05 120.40 107.08 1rn8 s VAL 133 Ca 0.60 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 1rn8 s VAL 133 Cb -0.33 -1.29 -0.28 0.00 0.56 0.00 0.00 36.38 35.04 1rn8 s VAL 133 CO 0.31 -0.54 1.12 -0.08 -0.31 0.00 0.00 175.10 175.61 1rn8 h GLU 134 N 3.66 0.51 -3.36 4.82 4.57 -2.09 -3.47 114.58 119.22 1rn8 h GLU 134 Ca -0.37 -0.72 -0.14 0.00 -1.18 0.00 0.00 59.36 56.94 1rn8 h GLU 134 Cb 1.19 0.25 -0.21 0.00 -0.16 0.00 0.00 28.75 29.81 1rn8 h GLU 134 CO 0.52 1.32 -0.44 -0.51 -1.18 0.00 0.00 179.01 178.71 1rn8 s ASP 135 N -7.35 -0.06 0.60 1.04 1.11 -1.26 -5.17 116.67 105.58 1rn8 s ASP 135 Ca -0.08 -0.04 -0.10 0.00 0.18 0.00 0.00 52.55 52.51 1rn8 s ASP 135 Cb 0.06 0.27 -0.04 0.00 1.07 0.00 0.00 42.92 44.28 1rn8 s ASP 135 CO 0.92 -0.34 1.00 -0.36 1.18 0.00 0.00 175.17 177.57 1rn8 s PHE 136 N -1.11 3.62 -1.77 4.23 2.99 -1.26 -5.21 117.98 119.46 1rn8 s PHE 136 Ca -0.12 1.24 0.17 0.00 0.00 0.00 0.00 56.93 58.22 1rn8 s PHE 136 Cb -0.06 -2.67 0.95 0.00 0.00 0.00 0.00 43.02 41.23 1rn8 s PHE 136 CO 0.02 -0.63 1.45 -0.25 -0.00 0.00 0.00 175.22 175.81 1rn8 n ASP 137 N -2.66 0.00 0.00 1.36 8.00 -1.26 -5.25 116.55 116.75 1rn8 n ASP 137 Ca 0.05 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1rn8 n ASP 137 Cb 0.54 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1rn8 n ASP 137 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1rn8 n PHE 146 N -1.12 0.00 -0.48 1.24 7.35 -1.26 -5.32 117.46 117.88 1rn8 n PHE 146 Ca 0.11 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.77 1rn8 n PHE 146 Cb 0.09 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.92 1rn8 n PHE 146 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1rn8 n ARG 151 N 0.07 0.00 0.00 -4.13 3.00 -1.26 -5.56 116.66 108.79 1rn8 n ARG 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1rn8 n ARG 151 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 32.46 31.85 1rn8 n ARG 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67