#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr9 s TYR 2 N 0.00 2.07 -0.08 1.57 5.04 -1.26 -4.87 117.35 119.81 1nr9 s TYR 2 Ca 0.00 -0.39 -0.22 0.00 -2.44 0.00 0.00 57.07 54.02 1nr9 s TYR 2 Cb 0.00 -1.19 0.05 0.00 0.35 0.00 0.00 41.96 41.17 1nr9 s TYR 2 CO 0.00 0.18 0.51 -0.65 -1.34 0.00 0.00 175.55 174.25 1nr9 s GLN 3 N -1.53 0.80 0.29 4.97 -0.21 -1.26 -5.05 119.66 117.66 1nr9 s GLN 3 Ca 0.10 0.25 -0.29 0.00 0.02 0.00 0.00 55.36 55.44 1nr9 s GLN 3 Cb -0.10 0.37 -0.10 0.00 1.00 0.00 0.00 33.01 34.19 1nr9 s GLN 3 CO 0.03 -0.20 1.19 -1.01 -2.12 0.00 0.00 175.29 173.18 1nr9 s HIS 4 N -0.80 3.36 0.07 0.91 3.76 -1.26 -4.96 115.29 116.37 1nr9 s HIS 4 Ca -0.09 1.56 -0.07 0.00 -0.15 0.00 0.00 55.06 56.32 1nr9 s HIS 4 Cb -0.03 -3.45 -0.01 0.00 1.11 0.00 0.00 32.58 30.20 1nr9 s HIS 4 CO 0.05 -1.13 0.15 -3.38 -0.85 0.00 0.00 174.74 169.58 1nr9 s HIS 5 N -1.07 0.21 0.93 1.40 -3.43 -1.26 -0.98 115.29 111.09 1nr9 s HIS 5 Ca 0.47 -0.63 -0.13 0.00 -0.80 0.00 0.00 55.06 53.97 1nr9 s HIS 5 Cb -0.35 -0.12 0.20 0.00 -1.43 0.00 0.00 32.58 30.88 1nr9 s HIS 5 CO 0.45 -0.49 1.28 0.54 -2.00 0.00 0.00 174.74 174.52 1nr9 s ASN 6 N -2.75 3.17 0.10 7.38 6.03 -0.42 0.66 114.94 129.11 1nr9 s ASN 6 Ca 0.04 0.04 -0.34 0.00 -1.03 0.00 0.00 52.86 51.56 1nr9 s ASN 6 Cb 0.04 -0.08 -0.15 0.00 -3.03 0.00 0.00 41.25 38.04 1nr9 s ASN 6 CO -0.10 -2.68 1.57 -0.25 -2.03 0.00 0.00 177.10 173.61 1nr9 h TRP 7 N -1.49 -1.40 -1.10 1.54 2.91 -1.73 -2.55 115.95 112.12 1nr9 h TRP 7 Ca -0.42 0.03 0.33 0.00 1.13 0.00 0.00 58.89 59.96 1nr9 h TRP 7 Cb 1.23 0.57 -0.12 0.00 -0.51 0.00 0.00 29.16 30.33 1nr9 h TRP 7 CO -1.16 -0.61 0.68 0.37 -1.03 0.00 0.00 178.44 176.69 1nr9 h GLN 8 N -0.84 0.28 0.00 2.65 4.15 -1.93 -3.45 115.11 115.98 1nr9 h GLN 8 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1nr9 h GLN 8 Cb 0.79 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1nr9 h GLN 8 CO -0.19 0.19 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 1nr9 n GLY 9 N -1.41 1.05 3.74 2.39 0.00 -0.96 -5.13 105.19 104.86 1nr9 n GLY 9 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 1nr9 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr9 s ALA 10 N -0.93 2.51 0.10 4.61 0.00 -1.26 -4.68 121.76 122.11 1nr9 s ALA 10 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 1nr9 s ALA 10 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1nr9 s ALA 10 CO 0.00 -1.51 0.97 -0.51 0.00 0.00 0.00 175.76 174.71 1nr9 s LEU 11 N -4.12 4.48 0.03 0.00 1.43 -1.26 -1.30 118.68 117.94 1nr9 s LEU 11 Ca 0.79 1.79 -0.18 0.00 -1.03 0.00 0.00 54.13 55.51 1nr9 s LEU 11 Cb -0.38 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.19 1nr9 s LEU 11 CO 0.41 -0.10 0.50 -0.76 0.23 0.00 0.00 176.35 176.63 1nr9 s LEU 12 N 0.14 4.49 -1.49 1.79 1.43 -0.16 -4.88 118.68 120.01 1nr9 s LEU 12 Ca 0.48 1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 1nr9 s LEU 12 Cb -0.23 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 1nr9 s LEU 12 CO 0.30 0.28 2.65 -0.67 0.23 0.00 0.00 176.35 179.13 1nr9 n ASP 13 N 1.89 6.84 -3.97 2.29 4.64 -1.26 -4.70 116.55 122.28 1nr9 n ASP 13 Ca -0.11 -2.63 -0.14 0.00 -1.38 0.00 0.00 54.79 50.53 1nr9 n ASP 13 Cb 0.51 -1.53 -0.13 0.00 -1.04 0.00 0.00 41.12 38.93 1nr9 n ASP 13 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1nr9 s TYR 14 N 2.67 0.39 1.03 -0.67 1.51 -1.26 -5.05 117.35 115.98 1nr9 s TYR 14 Ca 0.60 -0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 56.32 1nr9 s TYR 14 Cb 0.16 -0.25 0.21 0.00 -0.11 0.00 0.00 41.96 41.97 1nr9 s TYR 14 CO -0.06 -0.04 1.10 -2.14 -1.11 0.00 0.00 175.55 173.30 1nr9 s PRO 15 N -0.56 0.16 -0.07 -1.71 0.02 -1.26 -4.71 135.00 126.86 1nr9 s PRO 15 Ca -0.03 0.39 0.03 0.00 0.02 0.00 0.00 61.00 61.41 1nr9 s PRO 15 Cb -0.04 -1.72 0.01 0.00 0.02 0.00 0.00 34.50 32.77 1nr9 s PRO 15 CO -0.00 -2.89 -0.16 0.54 -0.33 0.00 0.00 177.00 174.16 1nr9 s VAL 16 N -3.00 1.43 0.20 3.83 0.11 -1.26 -4.09 120.40 117.62 1nr9 s VAL 16 Ca 0.66 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1nr9 s VAL 16 Cb -0.17 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 1nr9 s VAL 16 CO 0.57 0.42 0.00 -1.54 -3.33 0.00 0.00 175.10 171.22 1nr9 n SER 17 N 3.63 -0.79 -3.97 3.54 3.41 -1.26 -5.00 113.62 113.19 1nr9 n SER 17 Ca -0.21 0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 58.66 1nr9 n SER 17 Cb 0.52 0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 65.31 1nr9 n SER 17 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nr9 s LYS 18 N -2.00 1.58 -0.15 4.33 -2.85 -1.26 -2.15 119.74 117.25 1nr9 s LYS 18 Ca 0.00 -1.20 -0.02 0.00 -1.00 0.00 0.00 55.97 53.76 1nr9 s LYS 18 Cb 0.00 0.50 0.04 0.00 -2.06 0.00 0.00 37.83 36.31 1nr9 s LYS 18 CO 0.00 -0.67 0.00 0.08 0.10 0.00 0.00 175.35 174.86 1nr9 s VAL 19 N -4.00 0.61 -0.06 1.79 1.01 -0.06 -1.88 120.40 117.81 1nr9 s VAL 19 Ca 0.20 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1nr9 s VAL 19 Cb -0.02 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1nr9 s VAL 19 CO 0.08 0.03 0.42 -0.69 0.00 0.00 0.00 175.10 174.94 1nr9 s VAL 20 N 1.84 5.12 0.06 2.92 1.01 -0.38 0.10 120.40 131.07 1nr9 s VAL 20 Ca 0.01 0.85 0.04 0.00 0.00 0.00 0.00 61.98 62.88 1nr9 s VAL 20 Cb -0.15 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1nr9 s VAL 20 CO -0.07 0.46 -0.11 0.00 0.00 0.00 0.00 175.10 175.38 1nr9 s VAL 22 N -1.28 4.84 -0.15 0.00 1.01 -1.10 -1.94 120.40 121.79 1nr9 s VAL 22 Ca -0.05 0.68 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 1nr9 s VAL 22 Cb -0.10 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 32.46 1nr9 s VAL 22 CO 0.01 -0.04 0.44 1.23 0.00 0.00 0.00 175.10 176.74 1nr9 h GLY 23 N 2.66 0.00 -6.95 4.51 0.00 -1.75 -3.41 103.07 98.13 1nr9 h GLY 23 Ca -0.47 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.51 1nr9 h GLY 23 CO 0.67 0.00 -0.67 -0.45 0.00 0.00 0.00 176.54 176.10 1nr9 s SER 24 N -6.19 1.26 -0.01 0.19 0.15 -1.26 -4.84 113.70 103.00 1nr9 s SER 24 Ca -0.17 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 56.53 1nr9 s SER 24 Cb -0.00 0.15 0.12 0.00 -1.71 0.00 0.00 66.02 64.58 1nr9 s SER 24 CO 0.51 -0.29 1.05 -3.20 1.20 0.00 0.00 173.24 172.51 1nr9 n ASN 25 N 5.31 0.42 -4.46 5.45 5.15 -1.26 -4.83 115.26 121.04 1nr9 n ASN 25 Ca -0.05 -2.12 -0.22 0.00 -0.60 0.00 0.00 54.58 51.58 1nr9 n ASN 25 Cb 0.50 -0.25 -0.10 0.00 -0.53 0.00 0.00 39.78 39.40 1nr9 n ASN 25 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1nr9 s TYR 26 N -0.29 2.05 -0.53 1.20 2.02 -1.26 -1.45 117.35 119.08 1nr9 s TYR 26 Ca 0.10 -0.72 -0.27 0.00 -0.37 0.00 0.00 57.07 55.81 1nr9 s TYR 26 Cb 0.11 -1.23 0.03 0.00 -0.40 0.00 0.00 41.96 40.47 1nr9 s TYR 26 CO -0.03 0.27 1.09 0.00 -1.57 0.00 0.00 175.55 175.31 1nr9 s ALA 27 N -3.00 3.10 0.00 3.71 0.00 -0.90 -4.86 121.76 119.82 1nr9 s ALA 27 Ca 0.31 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1nr9 s ALA 27 Cb 0.05 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1nr9 s ALA 27 CO 0.13 -2.42 0.00 -0.35 0.00 0.00 0.00 175.76 173.12 1nr9 n PRO 38 N 7.91 0.00 -0.74 0.00 -0.04 -1.26 -4.99 135.00 135.89 1nr9 n PRO 38 Ca 0.08 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.30 1nr9 n PRO 38 Cb 0.49 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.15 1nr9 n PRO 38 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nr9 n GLU 39 N 0.00 -2.87 -3.36 0.54 1.02 -1.26 -4.99 120.64 109.72 1nr9 n GLU 39 Ca 0.00 -1.34 -0.36 0.00 -0.02 0.00 0.00 57.16 55.44 1nr9 n GLU 39 Cb 0.00 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 1nr9 n GLU 39 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nr9 s GLU 40 N -4.91 4.02 0.17 3.49 2.02 -1.26 -5.00 118.70 117.23 1nr9 s GLU 40 Ca 0.55 0.53 -0.30 0.00 0.02 0.00 0.00 54.97 55.78 1nr9 s GLU 40 Cb -0.06 -3.03 -0.17 0.00 0.10 0.00 0.00 34.13 30.97 1nr9 s GLU 40 CO 0.43 0.53 0.60 -2.30 0.02 0.00 0.00 175.26 174.54 1nr9 n PRO 41 N 1.09 0.00 -3.08 0.39 -0.02 -1.26 -4.92 135.00 127.21 1nr9 n PRO 41 Ca -0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.01 1nr9 n PRO 41 Cb 0.52 -1.07 -0.05 0.00 -0.02 0.00 0.00 33.50 32.87 1nr9 n PRO 41 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nr9 s VAL 42 N -0.85 5.06 -0.11 -1.45 1.01 -1.26 -4.99 120.40 117.82 1nr9 s VAL 42 Ca 0.68 1.38 0.04 0.00 0.00 0.00 0.00 61.98 64.08 1nr9 s VAL 42 Cb -0.98 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 31.39 1nr9 s VAL 42 CO 0.56 0.25 -0.23 -0.76 0.00 0.00 0.00 175.10 174.92 1nr9 s LEU 43 N 0.84 2.08 0.06 3.92 1.02 -1.26 -1.86 118.68 123.48 1nr9 s LEU 43 Ca 0.36 -0.56 -0.04 0.00 0.02 0.00 0.00 54.13 53.91 1nr9 s LEU 43 Cb -0.17 -1.40 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 1nr9 s LEU 43 CO 0.17 0.14 0.06 0.72 0.02 0.00 0.00 176.35 177.46 1nr9 s PHE 44 N 0.42 0.36 -0.03 0.29 -0.12 -0.82 -5.00 117.98 113.09 1nr9 s PHE 44 Ca -0.17 -0.85 0.05 0.00 -0.05 0.00 0.00 56.93 55.91 1nr9 s PHE 44 Cb -0.18 -0.25 -0.01 0.00 -0.63 0.00 0.00 43.02 41.96 1nr9 s PHE 44 CO 0.07 -0.44 -0.16 0.42 -0.05 0.00 0.00 175.22 175.06 1nr9 s ILE 45 N -3.78 1.33 -0.20 -4.49 1.01 -1.26 -0.30 121.20 113.51 1nr9 s ILE 45 Ca 0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 1nr9 s ILE 45 Cb 0.06 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1nr9 s ILE 45 CO -0.10 0.38 0.08 -0.54 0.00 0.00 0.00 174.94 174.76 1nr9 s LYS 46 N -0.19 3.94 0.85 2.79 1.02 0.11 -4.73 119.74 123.54 1nr9 s LYS 46 Ca 0.02 -0.35 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 1nr9 s LYS 46 Cb -0.09 -3.28 0.10 0.00 -0.52 0.00 0.00 37.83 34.05 1nr9 s LYS 46 CO 0.00 0.17 1.09 -1.25 -0.92 0.00 0.00 175.35 174.44 1nr9 s PRO 47 N 0.68 1.61 0.54 -1.68 0.04 -1.26 -0.88 135.00 134.05 1nr9 s PRO 47 Ca 0.04 0.86 0.24 0.00 0.04 0.00 0.00 61.00 62.18 1nr9 s PRO 47 Cb -0.13 -1.85 1.44 0.00 0.04 0.00 0.00 34.50 34.00 1nr9 s PRO 47 CO 0.02 -2.01 2.06 1.49 0.04 0.00 0.00 177.00 178.59 1nr9 h GLU 48 N -1.38 0.00 -0.12 4.56 4.81 -1.80 -0.39 114.58 120.26 1nr9 h GLU 48 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1nr9 h GLU 48 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1nr9 h GLU 48 CO 0.55 0.00 0.00 -2.37 -0.73 0.00 0.00 179.01 176.46 1nr9 n THR 49 N -4.25 0.00 0.10 0.32 5.66 -1.26 -2.68 114.28 112.17 1nr9 n THR 49 Ca 0.05 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.07 1nr9 n THR 49 Cb 0.41 -0.20 -0.03 0.00 -1.55 0.00 0.00 70.33 68.97 1nr9 n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nr9 n ALA 50 N -0.38 2.37 -1.77 1.79 0.00 -0.16 -2.92 120.51 119.45 1nr9 n ALA 50 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 1nr9 n ALA 50 Cb 0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 1nr9 n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nr9 s LEU 51 N -2.74 4.44 0.19 0.00 1.43 -1.09 -0.30 118.68 120.60 1nr9 s LEU 51 Ca 0.00 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 1nr9 s LEU 51 Cb 0.03 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1nr9 s LEU 51 CO 0.18 -0.13 0.37 0.00 0.23 0.00 0.00 176.35 177.00 1nr9 s ASP 53 N -2.96 6.94 0.00 0.00 -1.08 -1.26 -1.12 116.67 117.19 1nr9 s ASP 53 Ca 0.17 1.11 0.21 0.00 -0.52 0.00 0.00 52.55 53.52 1nr9 s ASP 53 Cb 0.02 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.14 1nr9 s ASP 53 CO 0.01 -0.87 1.67 -0.11 0.52 0.00 0.00 175.17 176.40 1nr9 n LEU 54 N 6.85 0.00 0.04 -1.34 7.94 0.15 -1.97 117.00 128.66 1nr9 n LEU 54 Ca 0.12 0.11 0.12 0.00 -1.11 0.00 0.00 56.01 55.25 1nr9 n LEU 54 Cb 0.47 -0.11 0.10 0.00 0.53 0.00 0.00 43.42 44.42 1nr9 n LEU 54 CO 0.58 -0.03 0.19 0.54 -1.11 0.00 0.00 177.39 177.56 1nr9 n ARG 55 N -1.11 0.26 -3.44 1.96 1.74 -1.26 -4.71 116.66 110.10 1nr9 n ARG 55 Ca 0.14 0.03 -0.19 0.00 -0.77 0.00 0.00 57.85 57.06 1nr9 n ARG 55 Cb 0.11 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 29.92 1nr9 n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nr9 s GLN 56 N -3.16 3.00 0.08 5.56 -1.52 -0.83 -4.84 119.66 117.94 1nr9 s GLN 56 Ca 0.05 -1.11 -0.31 0.00 -1.95 0.00 0.00 55.36 52.05 1nr9 s GLN 56 Cb 0.14 -2.75 -0.10 0.00 -0.22 0.00 0.00 33.01 30.09 1nr9 s GLN 56 CO 0.76 0.00 1.91 -2.30 -0.25 0.00 0.00 175.29 175.41 1nr9 n PRO 57 N -1.64 2.85 -2.27 2.91 -0.02 -1.26 -4.75 135.00 130.82 1nr9 n PRO 57 Ca 0.01 1.04 -0.42 0.00 -2.02 0.00 0.00 63.50 62.11 1nr9 n PRO 57 Cb 0.59 -2.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.07 1nr9 n PRO 57 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nr9 s LEU 58 N 3.63 4.39 -0.27 2.45 1.43 -0.47 -4.73 118.68 125.11 1nr9 s LEU 58 Ca 0.86 2.25 -0.07 0.00 -1.03 0.00 0.00 54.13 56.14 1nr9 s LEU 58 Cb -0.46 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.16 1nr9 s LEU 58 CO 0.40 -0.54 0.07 0.00 0.23 0.00 0.00 176.35 176.51 1nr9 s ALA 59 N 0.69 3.11 0.24 4.21 0.00 -1.26 -0.34 121.76 128.40 1nr9 s ALA 59 Ca 0.59 -1.27 0.10 0.00 0.00 0.00 0.00 51.96 51.38 1nr9 s ALA 59 Cb -0.34 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1nr9 s ALA 59 CO 0.33 -0.67 -0.06 0.96 0.00 0.00 0.00 175.76 176.32 1nr9 s ILE 60 N 1.56 3.25 0.51 0.00 -4.36 -1.26 -4.89 121.20 116.02 1nr9 s ILE 60 Ca 0.05 -1.88 -0.23 0.00 -0.26 0.00 0.00 60.65 58.33 1nr9 s ILE 60 Cb -0.16 -2.69 -0.06 0.00 1.25 0.00 0.00 42.46 40.80 1nr9 s ILE 60 CO 0.03 -0.29 1.33 -2.84 0.24 0.00 0.00 174.94 173.42 1nr9 s PRO 61 N -3.36 3.34 -0.01 0.37 0.02 -1.26 -4.96 135.00 129.14 1nr9 s PRO 61 Ca 0.29 2.18 0.11 0.00 0.02 0.00 0.00 61.00 63.60 1nr9 s PRO 61 Cb -0.07 -2.35 -0.17 0.00 0.02 0.00 0.00 34.50 31.93 1nr9 s PRO 61 CO 0.18 -1.01 0.29 0.45 -0.33 0.00 0.00 177.00 176.57 1nr9 n SER 62 N -0.79 2.08 -0.74 2.53 2.88 -1.26 -4.67 113.62 113.65 1nr9 n SER 62 Ca 0.09 -0.14 0.06 0.00 -1.33 0.00 0.00 58.87 57.55 1nr9 n SER 62 Cb 0.45 1.42 0.22 0.00 -0.75 0.00 0.00 64.21 65.55 1nr9 n SER 62 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nr9 n ASP 63 N -1.78 3.10 -0.95 -3.46 8.00 -1.26 -4.67 116.55 115.54 1nr9 n ASP 63 Ca -0.01 -3.24 0.05 0.00 0.71 0.00 0.00 54.79 52.29 1nr9 n ASP 63 Cb 0.27 -0.54 0.14 0.00 -0.02 0.00 0.00 41.12 40.97 1nr9 n ASP 63 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1nr9 n PHE 64 N -0.90 0.00 -4.00 1.24 3.01 -1.26 -5.12 117.46 110.42 1nr9 n PHE 64 Ca 0.23 -1.11 0.00 0.00 1.01 0.00 0.00 57.45 57.57 1nr9 n PHE 64 Cb 0.85 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.11 1nr9 n PHE 64 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nr9 n GLY 65 N -0.49 -1.62 3.65 1.37 0.00 -1.26 -4.54 105.19 102.29 1nr9 n GLY 65 Ca 0.14 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 1nr9 n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nr9 n SER 66 N 0.20 2.14 -4.07 1.61 2.88 -1.26 -4.95 113.62 110.17 1nr9 n SER 66 Ca 0.00 1.18 -0.32 0.00 -1.33 0.00 0.00 58.87 58.40 1nr9 n SER 66 Cb 0.00 -1.38 -0.16 0.00 -0.75 0.00 0.00 64.21 61.92 1nr9 n SER 66 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1nr9 s VAL 67 N -0.80 1.97 0.30 2.46 1.01 -1.26 -3.28 120.40 120.79 1nr9 s VAL 67 Ca 0.60 -1.15 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1nr9 s VAL 67 Cb -0.65 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1nr9 s VAL 67 CO 0.58 0.28 0.32 -1.00 0.00 0.00 0.00 175.10 175.28 1nr9 s HIS 68 N 1.27 3.09 -0.07 5.22 3.76 -0.74 0.32 115.29 128.15 1nr9 s HIS 68 Ca -0.01 -0.19 0.02 0.00 -0.15 0.00 0.00 55.06 54.74 1nr9 s HIS 68 Cb -0.16 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 1nr9 s HIS 68 CO -0.09 0.26 -0.13 -3.38 -0.85 0.00 0.00 174.74 170.54 1nr9 s HIS 69 N -2.18 2.75 -0.26 1.40 -3.43 -0.20 -2.50 115.29 110.87 1nr9 s HIS 69 Ca 0.39 -0.27 -0.04 0.00 -0.80 0.00 0.00 55.06 54.34 1nr9 s HIS 69 Cb -0.08 -1.69 0.09 0.00 -1.43 0.00 0.00 32.58 29.47 1nr9 s HIS 69 CO 0.28 0.09 0.11 -1.21 -2.00 0.00 0.00 174.74 172.01 1nr9 s GLU 70 N -0.46 0.22 -0.02 -0.38 2.02 -1.25 -3.79 118.70 115.03 1nr9 s GLU 70 Ca 0.06 -0.46 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 1nr9 s GLU 70 Cb -0.12 -1.43 -0.03 0.00 0.10 0.00 0.00 34.13 32.65 1nr9 s GLU 70 CO 0.02 -0.91 0.97 0.54 0.02 0.00 0.00 175.26 175.90 1nr9 s VAL 71 N 2.06 4.86 0.03 2.63 0.11 -1.26 0.14 120.40 128.98 1nr9 s VAL 71 Ca 0.07 2.03 0.01 0.00 -2.93 0.00 0.00 61.98 61.16 1nr9 s VAL 71 Cb -0.16 -4.31 -0.02 0.00 -1.53 0.00 0.00 36.38 30.36 1nr9 s VAL 71 CO -0.28 0.13 -0.06 -1.61 -3.33 0.00 0.00 175.10 169.95 1nr9 s GLU 72 N 1.21 0.45 -0.10 1.54 2.02 -0.43 -4.35 118.70 119.03 1nr9 s GLU 72 Ca 0.51 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 54.49 1nr9 s GLU 72 Cb -0.20 -0.13 -0.03 0.00 0.10 0.00 0.00 34.13 33.86 1nr9 s GLU 72 CO 0.26 0.01 1.38 -1.17 0.02 0.00 0.00 175.26 175.75 1nr9 s LEU 73 N -1.56 4.25 -0.16 1.80 2.96 -1.26 -1.49 118.68 123.22 1nr9 s LEU 73 Ca -0.12 1.90 -0.09 0.00 -0.22 0.00 0.00 54.13 55.61 1nr9 s LEU 73 Cb -0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1nr9 s LEU 73 CO -0.00 -0.78 0.14 0.00 -1.32 0.00 0.00 176.35 174.39 1nr9 s ALA 74 N 3.34 3.77 -0.11 5.97 0.00 0.20 -2.54 121.76 132.38 1nr9 s ALA 74 Ca 0.61 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1nr9 s ALA 74 Cb -0.26 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 1nr9 s ALA 74 CO 0.21 0.36 -0.16 0.08 0.00 0.00 0.00 175.76 176.25 1nr9 s VAL 75 N -0.26 2.78 -0.22 0.00 1.01 -0.23 0.14 120.40 123.62 1nr9 s VAL 75 Ca 0.12 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 1nr9 s VAL 75 Cb -0.12 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1nr9 s VAL 75 CO 0.01 0.54 0.13 -0.22 0.00 0.00 0.00 175.10 175.56 1nr9 s LEU 76 N 0.24 4.06 -0.03 3.92 2.96 -0.86 -0.62 118.68 128.35 1nr9 s LEU 76 Ca -0.11 0.12 -0.27 0.00 -0.22 0.00 0.00 54.13 53.66 1nr9 s LEU 76 Cb -0.16 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1nr9 s LEU 76 CO 0.06 0.11 0.85 -0.63 -1.32 0.00 0.00 176.35 175.42 1nr9 s ILE 77 N 0.78 4.94 -0.48 6.68 1.09 -0.37 0.34 121.20 134.18 1nr9 s ILE 77 Ca 0.07 1.78 0.22 0.00 -1.10 0.00 0.00 60.65 61.62 1nr9 s ILE 77 Cb -0.13 -4.19 -0.21 0.00 -1.06 0.00 0.00 42.46 36.87 1nr9 s ILE 77 CO 0.02 0.21 0.81 0.61 -0.10 0.00 0.00 174.94 176.48 1nr9 n GLY 78 N 2.97 -1.10 3.52 6.18 0.00 0.20 -1.04 105.19 115.92 1nr9 n GLY 78 Ca 0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1nr9 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr9 s ALA 79 N -3.27 -0.16 0.44 4.61 0.00 -1.24 -4.71 121.76 117.43 1nr9 s ALA 79 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 1nr9 s ALA 79 Cb 0.14 1.05 -0.08 0.00 0.00 0.00 0.00 23.12 24.23 1nr9 s ALA 79 CO 0.85 -0.80 1.22 0.99 0.00 0.00 0.00 175.76 178.03 1nr9 s THR 80 N -4.01 2.87 -0.20 0.00 2.01 -1.26 -4.12 115.64 110.93 1nr9 s THR 80 Ca 0.22 0.70 -0.05 0.00 0.31 0.00 0.00 61.69 62.88 1nr9 s THR 80 Cb 0.00 -3.38 0.07 0.00 0.01 0.00 0.00 72.50 69.20 1nr9 s THR 80 CO 0.07 0.04 0.10 -0.76 -0.69 0.00 0.00 174.62 173.38 1nr9 s LEU 81 N -2.79 0.41 -0.19 4.42 1.43 -0.52 -4.98 118.68 116.47 1nr9 s LEU 81 Ca 0.61 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1nr9 s LEU 81 Cb -0.33 -0.28 0.02 0.00 0.03 0.00 0.00 46.19 45.64 1nr9 s LEU 81 CO 0.41 -0.37 -0.18 -0.60 0.23 0.00 0.00 176.35 175.83 1nr9 s ARG 82 N 2.12 2.85 -1.50 1.70 6.06 -1.26 -1.75 118.95 127.16 1nr9 s ARG 82 Ca 0.04 -0.86 -0.02 0.00 -2.50 0.00 0.00 55.73 52.39 1nr9 s ARG 82 Cb -0.16 -2.56 0.02 0.00 0.06 0.00 0.00 34.95 32.31 1nr9 s ARG 82 CO -0.17 -0.25 0.05 1.04 -2.50 0.00 0.00 175.30 173.48 1nr9 n GLN 83 N 4.62 -0.92 -1.53 5.12 6.02 0.19 -4.84 117.38 126.04 1nr9 n GLN 83 Ca -0.20 0.09 -0.31 0.00 -0.01 0.00 0.00 57.00 56.57 1nr9 n GLN 83 Cb 0.49 -3.50 0.06 0.00 1.02 0.00 0.00 30.24 28.31 1nr9 n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nr9 s ALA 84 N -4.20 2.61 0.59 -1.58 0.00 -1.26 -5.02 121.76 112.89 1nr9 s ALA 84 Ca 0.08 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1nr9 s ALA 84 Cb -0.04 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1nr9 s ALA 84 CO 0.95 -1.31 1.02 0.95 0.00 0.00 0.00 175.76 177.37 1nr9 s THR 85 N -3.03 4.59 0.57 0.00 -4.23 -1.26 -4.84 115.64 107.44 1nr9 s THR 85 Ca 0.58 0.99 0.26 0.00 -1.18 0.00 0.00 61.69 62.35 1nr9 s THR 85 Cb -0.14 -3.78 0.34 0.00 1.34 0.00 0.00 72.50 70.25 1nr9 s THR 85 CO 0.55 -0.96 2.21 -0.08 -0.54 0.00 0.00 174.62 175.80 1nr9 h GLU 86 N 0.12 0.00 0.02 3.99 4.81 -1.97 -1.40 114.58 120.15 1nr9 h GLU 86 Ca -0.45 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.64 1nr9 h GLU 86 Cb 1.19 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.58 1nr9 h GLU 86 CO 0.61 0.00 -0.57 1.49 -0.73 0.00 0.00 179.01 179.82 1nr9 h GLU 87 N 0.00 0.35 -0.91 1.92 4.81 -1.96 -3.18 114.58 115.61 1nr9 h GLU 87 Ca 0.02 -0.40 0.11 0.00 -0.13 0.00 0.00 59.36 58.96 1nr9 h GLU 87 Cb 0.09 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.51 1nr9 h GLU 87 CO -0.00 1.09 0.54 0.45 -0.73 0.00 0.00 179.01 180.37 1nr9 h HIS 88 N -0.22 0.98 -0.82 0.92 3.86 -1.65 -0.62 115.15 117.60 1nr9 h HIS 88 Ca -0.08 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.28 1nr9 h HIS 88 Cb 1.31 -0.30 -0.08 0.00 1.06 0.00 0.00 27.41 29.40 1nr9 h HIS 88 CO 0.16 0.38 0.45 0.28 0.86 0.00 0.00 177.93 180.06 1nr9 h VAL 89 N 0.87 0.84 -0.57 2.45 2.07 -1.38 -2.14 116.25 118.39 1nr9 h VAL 89 Ca 0.45 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 1nr9 h VAL 89 Cb 0.45 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1nr9 h VAL 89 CO -0.27 0.13 0.26 0.03 0.02 0.00 0.00 177.57 177.74 1nr9 h ARG 90 N 0.72 0.84 0.00 1.57 3.08 -1.09 -2.23 114.38 117.28 1nr9 h ARG 90 Ca 0.42 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1nr9 h ARG 90 Cb 0.46 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1nr9 h ARG 90 CO -0.29 0.70 -0.15 0.87 -1.07 0.00 0.00 179.97 180.03 1nr9 h LYS 91 N 0.78 0.00 0.06 0.04 1.57 -1.29 -3.15 116.57 114.58 1nr9 h LYS 91 Ca 0.19 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.71 1nr9 h LYS 91 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1nr9 h LYS 91 CO -0.02 0.15 -1.10 0.00 -0.57 0.00 0.00 179.45 177.91 1nr9 h ALA 92 N 1.85 0.18 -1.95 3.86 0.00 -0.82 -3.46 119.26 118.91 1nr9 h ALA 92 Ca -0.00 -0.76 -0.64 0.00 0.00 0.00 0.00 54.91 53.51 1nr9 h ALA 92 Cb 0.53 0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.40 1nr9 h ALA 92 CO 0.02 0.79 0.76 -0.89 0.00 0.00 0.00 179.25 179.93 1nr9 n ILE 93 N -3.73 0.14 0.01 0.00 5.41 -0.95 0.62 119.36 120.85 1nr9 n ILE 93 Ca -0.10 -0.03 0.07 0.00 1.00 0.00 0.00 62.75 63.70 1nr9 n ILE 93 Cb 0.92 -1.33 -0.11 0.00 -0.71 0.00 0.00 39.64 38.41 1nr9 n ILE 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nr9 n ALA 94 N 3.94 2.56 -3.86 -1.39 0.00 0.15 -4.72 120.51 117.20 1nr9 n ALA 94 Ca 0.20 -0.35 0.16 0.00 0.00 0.00 0.00 53.44 53.45 1nr9 n ALA 94 Cb 0.24 -0.50 0.01 0.00 0.00 0.00 0.00 19.45 19.20 1nr9 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nr9 n GLY 95 N 1.67 0.19 2.88 0.00 0.00 -1.20 -1.61 105.19 107.11 1nr9 n GLY 95 Ca -0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1nr9 n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nr9 s TYR 96 N -2.09 0.05 0.21 1.61 2.02 -0.96 -2.03 117.35 116.17 1nr9 s TYR 96 Ca 0.26 -0.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1nr9 s TYR 96 Cb -0.00 -0.05 0.00 0.00 -0.40 0.00 0.00 41.96 41.52 1nr9 s TYR 96 CO -0.02 -0.01 0.28 0.41 -1.57 0.00 0.00 175.55 174.65 1nr9 n GLY 97 N 3.12 2.60 3.52 0.71 0.00 0.12 -0.36 105.19 114.90 1nr9 n GLY 97 Ca -0.13 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1nr9 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nr9 s VAL 98 N -2.67 3.07 0.21 1.61 1.01 -1.26 0.58 120.40 122.94 1nr9 s VAL 98 Ca 0.18 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 1nr9 s VAL 98 Cb -0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1nr9 s VAL 98 CO 0.13 0.14 0.23 0.00 0.00 0.00 0.00 175.10 175.60 1nr9 s ALA 99 N -1.14 0.69 -0.18 5.51 0.00 -0.55 -1.64 121.76 124.44 1nr9 s ALA 99 Ca 0.19 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1nr9 s ALA 99 Cb -0.11 1.23 0.03 0.00 0.00 0.00 0.00 23.12 24.28 1nr9 s ALA 99 CO 0.11 -0.66 -0.12 -0.51 0.00 0.00 0.00 175.76 174.57 1nr9 s LEU 100 N -3.10 2.10 -1.26 0.00 1.43 -0.92 -1.31 118.68 115.61 1nr9 s LEU 100 Ca 0.32 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 1nr9 s LEU 100 Cb 0.05 -1.24 0.14 0.00 0.03 0.00 0.00 46.19 45.17 1nr9 s LEU 100 CO 0.10 -0.11 1.64 -0.67 0.23 0.00 0.00 176.35 177.54 1nr9 n ASP 101 N 4.70 5.05 -4.71 2.29 2.03 0.12 -3.57 116.55 122.47 1nr9 n ASP 101 Ca -0.16 -2.98 -0.41 0.00 0.52 0.00 0.00 54.79 51.76 1nr9 n ASP 101 Cb 0.48 -1.60 0.01 0.00 -0.72 0.00 0.00 41.12 39.29 1nr9 n ASP 101 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nr9 n LEU 102 N 5.93 4.20 -3.67 -2.67 4.77 -0.89 -3.86 117.00 120.81 1nr9 n LEU 102 Ca 0.41 1.11 -0.08 0.00 -0.03 0.00 0.00 56.01 57.42 1nr9 n LEU 102 Cb 0.42 -1.52 -0.09 0.00 -2.33 0.00 0.00 43.42 39.91 1nr9 n LEU 102 CO 0.71 -0.57 0.14 0.28 -1.33 0.00 0.00 177.39 176.61 1nr9 s THR 103 N -1.20 -0.30 -1.09 -5.08 -1.32 -1.04 -4.83 115.64 100.77 1nr9 s THR 103 Ca 0.61 0.08 -0.22 0.00 -1.21 0.00 0.00 61.69 60.95 1nr9 s THR 103 Cb -0.50 -0.76 -0.09 0.00 -1.51 0.00 0.00 72.50 69.64 1nr9 s THR 103 CO 0.58 0.03 1.92 0.18 -2.21 0.00 0.00 174.62 175.12 1nr9 n LEU 104 N 4.72 3.63 -0.35 9.08 7.99 -0.82 -1.78 117.00 139.46 1nr9 n LEU 104 Ca -0.17 -3.20 0.25 0.00 -0.01 0.00 0.00 56.01 52.88 1nr9 n LEU 104 Cb 0.54 -1.57 0.50 0.00 -0.11 0.00 0.00 43.42 42.77 1nr9 n LEU 104 CO 0.02 -1.17 1.15 -0.09 -1.51 0.00 0.00 177.39 175.79 1nr9 h ARG 105 N 8.91 0.31 -0.29 3.23 9.65 -1.86 0.12 114.38 134.46 1nr9 h ARG 105 Ca 0.31 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.14 1nr9 h ARG 105 Cb 0.85 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 1nr9 h ARG 105 CO 1.46 0.21 0.07 -0.44 2.80 0.00 0.00 179.97 184.07 1nr9 h ASP 106 N 0.32 0.43 -0.56 -3.80 3.45 -1.86 -0.71 116.42 113.69 1nr9 h ASP 106 Ca 0.72 -0.23 -0.09 0.00 0.43 0.00 0.00 57.03 57.86 1nr9 h ASP 106 Cb 1.75 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 40.38 1nr9 h ASP 106 CO -0.53 0.55 -0.02 0.58 -1.57 0.00 0.00 179.24 178.25 1nr9 h VAL 107 N 0.30 1.27 -0.79 -1.35 2.07 -1.34 -2.46 116.25 113.94 1nr9 h VAL 107 Ca 0.09 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.54 1nr9 h VAL 107 Cb 0.28 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1nr9 h VAL 107 CO 0.00 0.41 0.45 -0.61 0.02 0.00 0.00 177.57 177.84 1nr9 h GLN 108 N 0.89 0.76 0.19 1.57 4.15 -0.56 -2.29 115.11 119.82 1nr9 h GLN 108 Ca 0.16 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1nr9 h GLN 108 Cb 0.57 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 1nr9 h GLN 108 CO 0.03 0.51 -0.32 0.78 -1.93 0.00 0.00 178.83 177.90 1nr9 h GLY 109 N 0.79 -0.64 -1.80 2.39 0.00 -0.68 -0.11 103.07 103.03 1nr9 h GLY 109 Ca 0.37 0.37 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1nr9 h GLY 109 CO -0.22 -0.25 0.00 0.28 0.00 0.00 0.00 176.54 176.34 1nr9 n LYS 110 N -5.42 0.00 0.00 4.80 5.02 -0.86 -1.17 118.16 120.53 1nr9 n LYS 110 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1nr9 n LYS 110 Cb 0.33 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 1nr9 n LYS 110 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nr9 n LYS 112 N 0.78 0.00 -0.19 1.97 5.02 -0.05 -1.38 118.16 124.31 1nr9 n LYS 112 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1nr9 n LYS 112 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.11 1nr9 n LYS 112 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1nr9 h LYS 113 N 0.00 0.21 -0.31 1.97 1.57 -1.39 0.89 116.57 119.51 1nr9 h LYS 113 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1nr9 h LYS 113 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1nr9 h LYS 113 CO 0.00 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 1nr9 n ALA 114 N -2.63 2.46 -3.99 3.86 0.00 -0.48 -4.91 120.51 114.82 1nr9 n ALA 114 Ca 0.08 -0.57 -0.30 0.00 0.00 0.00 0.00 53.44 52.65 1nr9 n ALA 114 Cb 0.32 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1nr9 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nr9 n GLY 115 N 1.04 -0.41 3.97 0.00 0.00 0.31 -4.97 105.19 105.13 1nr9 n GLY 115 Ca 0.12 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 1nr9 n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nr9 s GLN 116 N -6.62 2.42 0.43 1.61 -0.21 -1.26 -5.00 119.66 111.03 1nr9 s GLN 116 Ca 0.50 -1.64 -0.26 0.00 0.02 0.00 0.00 55.36 53.98 1nr9 s GLN 116 Cb -0.26 -2.49 -0.09 0.00 1.00 0.00 0.00 33.01 31.17 1nr9 s GLN 116 CO 0.87 -0.59 1.43 -2.14 -2.12 0.00 0.00 175.29 172.74 1nr9 s PRO 117 N -4.43 3.79 0.33 2.91 0.02 -1.26 -4.64 135.00 131.71 1nr9 s PRO 117 Ca 0.52 2.42 0.24 0.00 0.02 0.00 0.00 61.00 64.20 1nr9 s PRO 117 Cb -0.05 -2.72 0.38 0.00 0.02 0.00 0.00 34.50 32.13 1nr9 s PRO 117 CO 0.32 -0.74 1.53 -1.49 -0.33 0.00 0.00 177.00 176.29 1nr9 h TRP 118 N 2.48 0.00 -0.94 6.54 4.06 -1.98 -3.39 115.95 122.72 1nr9 h TRP 118 Ca -0.51 0.00 0.14 0.00 2.06 0.00 0.00 58.89 60.58 1nr9 h TRP 118 Cb 1.26 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.27 1nr9 h TRP 118 CO 0.51 0.00 -0.38 0.39 -3.56 0.00 0.00 178.44 175.40 1nr9 n GLU 119 N -2.78 -0.24 -0.12 0.49 4.71 -1.26 0.91 120.64 122.35 1nr9 n GLU 119 Ca 0.04 1.44 0.27 0.00 -0.01 0.00 0.00 57.16 58.91 1nr9 n GLU 119 Cb 0.51 -2.14 0.70 0.00 -1.01 0.00 0.00 31.44 29.49 1nr9 n GLU 119 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1nr9 h LYS 120 N 0.00 0.00 0.00 3.49 1.57 -1.97 0.12 116.57 119.78 1nr9 h LYS 120 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1nr9 h LYS 120 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1nr9 h LYS 120 CO -0.93 0.00 -1.29 0.00 -0.57 0.00 0.00 179.45 176.66 1nr9 n ALA 121 N -2.51 3.17 -0.00 3.86 0.00 0.26 -4.59 120.51 120.69 1nr9 n ALA 121 Ca 0.17 -0.39 0.01 0.00 0.00 0.00 0.00 53.44 53.23 1nr9 n ALA 121 Cb 1.00 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1nr9 n ALA 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nr9 n LYS 122 N -1.75 0.79 -0.13 0.00 4.76 0.12 -1.94 118.16 120.01 1nr9 n LYS 122 Ca -0.00 -0.03 0.10 0.00 -2.87 0.00 0.00 58.31 55.51 1nr9 n LYS 122 Cb 0.33 -1.09 0.16 0.00 -1.84 0.00 0.00 35.03 32.60 1nr9 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nr9 n ALA 123 N -1.73 2.41 -1.07 7.82 0.00 0.30 -4.84 120.51 123.40 1nr9 n ALA 123 Ca -0.02 -0.90 -0.35 0.00 0.00 0.00 0.00 53.44 52.18 1nr9 n ALA 123 Cb 0.20 -0.72 0.10 0.00 0.00 0.00 0.00 19.45 19.03 1nr9 n ALA 123 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1nr9 n PHE 124 N 1.21 -0.72 -1.61 0.00 -1.74 -1.25 -4.68 117.46 108.67 1nr9 n PHE 124 Ca 0.15 0.31 -0.39 0.00 -0.56 0.00 0.00 57.45 56.97 1nr9 n PHE 124 Cb 0.53 -1.90 0.03 0.00 1.52 0.00 0.00 39.48 39.66 1nr9 n PHE 124 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1nr9 n ASP 125 N -1.13 0.93 -2.15 5.98 8.00 -1.26 -2.22 116.55 124.70 1nr9 n ASP 125 Ca 0.09 0.90 -0.13 0.00 0.71 0.00 0.00 54.79 56.36 1nr9 n ASP 125 Cb 0.51 -1.37 -0.02 0.00 -0.02 0.00 0.00 41.12 40.22 1nr9 n ASP 125 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nr9 n ASN 126 N -0.17 -3.82 -0.57 -2.24 4.13 -1.15 -4.82 115.26 106.63 1nr9 n ASN 126 Ca 0.11 0.22 0.04 0.00 1.68 0.00 0.00 54.58 56.64 1nr9 n ASN 126 Cb 0.44 -3.32 0.12 0.00 -1.54 0.00 0.00 39.78 35.48 1nr9 n ASN 126 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1nr9 n SER 127 N -1.44 1.62 -3.23 6.41 3.41 -0.62 -4.39 113.62 115.38 1nr9 n SER 127 Ca -0.14 -2.05 -0.24 0.00 -0.26 0.00 0.00 58.87 56.17 1nr9 n SER 127 Cb 0.56 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1nr9 n SER 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nr9 s PRO 129 N -0.89 4.19 -0.01 0.00 0.02 -1.23 -2.70 135.00 134.38 1nr9 s PRO 129 Ca 0.35 2.33 0.07 0.00 0.02 0.00 0.00 61.00 63.76 1nr9 s PRO 129 Cb 0.14 -3.77 -0.02 0.00 0.02 0.00 0.00 34.50 30.88 1nr9 s PRO 129 CO -0.13 -0.79 -0.22 -1.17 -0.33 0.00 0.00 177.00 174.36 1nr9 s LEU 130 N 3.22 2.06 0.69 -5.54 2.96 -0.28 -2.17 118.68 119.62 1nr9 s LEU 130 Ca 0.75 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 54.22 1nr9 s LEU 130 Cb -0.38 -1.12 0.09 0.00 0.50 0.00 0.00 46.19 45.28 1nr9 s LEU 130 CO 0.33 0.26 0.96 -0.94 -1.32 0.00 0.00 176.35 175.63 1nr9 s SER 131 N -0.62 4.64 0.98 3.68 1.04 -0.65 -0.67 113.70 122.11 1nr9 s SER 131 Ca 0.08 -0.00 -0.12 0.00 0.48 0.00 0.00 55.95 56.40 1nr9 s SER 131 Cb -0.09 -0.57 0.18 0.00 0.10 0.00 0.00 66.02 65.64 1nr9 s SER 131 CO -0.00 -1.65 1.08 -0.83 0.98 0.00 0.00 173.24 172.82 1nr9 s GLY 132 N -4.60 1.60 -0.12 7.32 0.00 -1.26 -4.68 107.32 105.57 1nr9 s GLY 132 Ca 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 44.72 45.26 1nr9 s GLY 132 CO 0.43 0.51 0.01 -1.36 0.00 0.00 0.00 173.10 172.69 1nr9 s PHE 133 N -2.79 3.15 -0.44 1.90 0.40 0.21 -4.46 117.98 115.96 1nr9 s PHE 133 Ca 0.65 0.05 -0.19 0.00 -0.60 0.00 0.00 56.93 56.84 1nr9 s PHE 133 Cb -0.20 -1.89 0.03 0.00 0.51 0.00 0.00 43.02 41.46 1nr9 s PHE 133 CO 0.59 0.28 0.55 0.42 0.70 0.00 0.00 175.22 177.77 1nr9 s ILE 134 N -0.32 4.94 0.13 0.64 1.01 0.52 -2.55 121.20 125.57 1nr9 s ILE 134 Ca 0.07 -0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 1nr9 s ILE 134 Cb -0.12 -4.15 -0.13 0.00 0.01 0.00 0.00 42.46 38.06 1nr9 s ILE 134 CO 0.02 -0.56 0.46 -2.65 0.00 0.00 0.00 174.94 172.21 1nr9 n PRO 135 N 5.97 0.00 -0.27 2.79 -0.02 -1.26 -2.27 135.00 139.94 1nr9 n PRO 135 Ca -0.05 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.48 1nr9 n PRO 135 Cb 0.47 -0.82 0.19 0.00 -0.02 0.00 0.00 33.50 33.33 1nr9 n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nr9 h ALA 136 N 0.99 1.15 0.00 3.55 0.00 -1.62 0.08 119.26 123.41 1nr9 h ALA 136 Ca -0.24 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nr9 h ALA 136 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1nr9 h ALA 136 CO 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1nr9 n ALA 137 N -2.44 1.61 0.19 0.00 0.00 -1.26 -2.52 120.51 116.09 1nr9 n ALA 137 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1nr9 n ALA 137 Cb 0.38 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1nr9 n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nr9 n GLU 138 N -1.54 1.46 -2.48 0.00 1.02 -0.12 -4.91 120.64 114.08 1nr9 n GLU 138 Ca 0.03 -0.54 -0.40 0.00 -0.02 0.00 0.00 57.16 56.24 1nr9 n GLU 138 Cb 0.16 -0.97 -0.03 0.00 -0.02 0.00 0.00 31.44 30.58 1nr9 n GLU 138 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1nr9 s PHE 139 N -0.68 2.34 0.51 -0.32 5.36 -0.42 -4.93 117.98 119.84 1nr9 s PHE 139 Ca 0.04 -0.38 -0.22 0.00 -0.96 0.00 0.00 56.93 55.41 1nr9 s PHE 139 Cb 0.04 -4.59 -0.06 0.00 -0.34 0.00 0.00 43.02 38.07 1nr9 s PHE 139 CO 0.09 -1.98 1.24 0.95 -1.46 0.00 0.00 175.22 174.05 1nr9 s THR 140 N 5.90 2.70 0.00 0.12 -4.23 -1.26 -4.79 115.64 114.08 1nr9 s THR 140 Ca 0.46 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 1nr9 s THR 140 Cb -0.04 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1nr9 s THR 140 CO -0.00 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1nr9 n GLY 141 N 0.54 -3.82 3.56 3.99 0.00 -1.26 -4.95 105.19 103.25 1nr9 n GLY 141 Ca 0.09 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 1nr9 n GLY 141 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nr9 s ASP 142 N -0.66 5.52 0.44 1.61 -1.08 -1.26 -4.98 116.67 116.27 1nr9 s ASP 142 Ca 0.00 -0.04 0.12 0.00 -0.52 0.00 0.00 52.55 52.10 1nr9 s ASP 142 Cb 0.00 -1.98 0.96 0.00 -1.46 0.00 0.00 42.92 40.44 1nr9 s ASP 142 CO 0.00 0.06 2.02 -0.65 0.52 0.00 0.00 175.17 177.11 1nr9 h PRO 143 N 7.58 0.19 0.00 4.34 0.11 -1.92 -1.67 132.00 140.63 1nr9 h PRO 143 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1nr9 h PRO 143 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1nr9 h PRO 143 CO 0.63 0.24 -0.18 1.96 -0.21 0.00 0.00 178.00 180.44 1nr9 h GLN 144 N 0.19 0.00 -2.38 1.05 1.08 -1.94 -3.36 115.11 109.76 1nr9 h GLN 144 Ca 0.05 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.65 1nr9 h GLN 144 Cb 0.19 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.21 1nr9 h GLN 144 CO 0.01 0.00 -0.82 -1.71 -0.95 0.00 0.00 178.83 175.36 1nr9 n ASN 145 N -2.83 1.65 -3.95 1.46 4.05 -0.66 -0.73 115.26 114.25 1nr9 n ASN 145 Ca 0.04 -2.94 -0.11 0.00 0.45 0.00 0.00 54.58 52.01 1nr9 n ASN 145 Cb 0.51 -0.65 -0.12 0.00 1.23 0.00 0.00 39.78 40.74 1nr9 n ASN 145 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1nr9 s THR 146 N -1.33 0.12 0.11 -0.44 -1.32 -1.02 -4.01 115.64 107.75 1nr9 s THR 146 Ca 0.34 -0.56 -0.17 0.00 -1.21 0.00 0.00 61.69 60.09 1nr9 s THR 146 Cb 0.09 -0.20 -0.07 0.00 -1.51 0.00 0.00 72.50 70.81 1nr9 s THR 146 CO -0.12 -0.28 0.56 -0.89 -2.21 0.00 0.00 174.62 171.69 1nr9 s THR 147 N -0.86 4.79 -0.08 5.08 2.01 -1.26 -1.24 115.64 124.09 1nr9 s THR 147 Ca -0.09 1.04 0.03 0.00 0.31 0.00 0.00 61.69 62.98 1nr9 s THR 147 Cb -0.06 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1nr9 s THR 147 CO -0.00 0.40 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.40 1nr9 s LEU 148 N -1.52 1.81 0.03 4.42 1.43 -0.39 -2.18 118.68 122.28 1nr9 s LEU 148 Ca 0.33 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1nr9 s LEU 148 Cb -0.17 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 1nr9 s LEU 148 CO 0.19 0.08 -0.05 -0.94 0.23 0.00 0.00 176.35 175.86 1nr9 s SER 149 N 0.54 0.51 -0.10 2.29 1.04 0.79 -2.37 113.70 116.39 1nr9 s SER 149 Ca -0.16 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.67 1nr9 s SER 149 Cb -0.17 0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.08 1nr9 s SER 149 CO 0.06 -0.28 0.23 -0.22 0.98 0.00 0.00 173.24 174.01 1nr9 s LEU 150 N -1.60 0.29 0.06 2.42 0.20 -0.63 0.01 118.68 119.42 1nr9 s LEU 150 Ca -0.12 0.50 0.06 0.00 0.69 0.00 0.00 54.13 55.26 1nr9 s LEU 150 Cb -0.09 0.66 -0.03 0.00 -0.43 0.00 0.00 46.19 46.31 1nr9 s LEU 150 CO -0.01 -0.18 -0.16 -0.94 -0.29 0.00 0.00 176.35 174.76 1nr9 s SER 151 N 1.52 1.96 -0.20 3.68 1.04 -0.47 -0.29 113.70 120.94 1nr9 s SER 151 Ca -0.07 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.83 1nr9 s SER 151 Cb -0.11 -0.12 0.04 0.00 0.10 0.00 0.00 66.02 65.93 1nr9 s SER 151 CO -0.08 0.03 -0.15 -0.69 0.98 0.00 0.00 173.24 173.34 1nr9 s VAL 152 N -1.00 1.95 -1.07 5.02 1.01 -0.96 -1.58 120.40 123.77 1nr9 s VAL 152 Ca 0.03 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 1nr9 s VAL 152 Cb -0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1nr9 s VAL 152 CO 0.02 0.28 0.84 0.59 0.00 0.00 0.00 175.10 176.83 1nr9 n ASN 153 N 4.59 -6.01 -3.37 3.32 3.02 0.14 -3.49 115.26 113.47 1nr9 n ASN 153 Ca -0.17 -0.84 -0.23 0.00 -0.03 0.00 0.00 54.58 53.31 1nr9 n ASN 153 Cb 0.47 -4.19 0.02 0.00 -0.61 0.00 0.00 39.78 35.47 1nr9 n ASN 153 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nr9 n GLY 154 N -1.50 -0.75 2.81 7.41 0.00 -1.26 -4.99 105.19 106.91 1nr9 n GLY 154 Ca -0.08 0.95 0.03 0.00 0.00 0.00 0.00 46.02 46.91 1nr9 n GLY 154 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nr9 s GLU 155 N -3.20 0.09 0.12 1.61 2.12 -1.23 -5.13 118.70 113.07 1nr9 s GLU 155 Ca 0.20 -0.01 -0.35 0.00 0.36 0.00 0.00 54.97 55.18 1nr9 s GLU 155 Cb -0.03 0.02 -0.14 0.00 0.26 0.00 0.00 34.13 34.23 1nr9 s GLU 155 CO 0.84 -0.13 1.55 0.94 -0.54 0.00 0.00 175.26 177.92 1nr9 n GLN 156 N 3.92 1.92 -0.00 4.30 7.27 -1.26 -2.27 117.38 131.25 1nr9 n GLN 156 Ca 0.06 0.69 0.01 0.00 0.07 0.00 0.00 57.00 57.83 1nr9 n GLN 156 Cb 0.63 -2.44 -0.01 0.00 2.41 0.00 0.00 30.24 30.83 1nr9 n GLN 156 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1nr9 n ARG 157 N 3.53 4.23 -3.70 3.69 1.74 0.60 -4.93 116.66 121.81 1nr9 n ARG 157 Ca 0.18 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.14 1nr9 n ARG 157 Cb 0.26 -0.73 -0.12 0.00 -1.02 0.00 0.00 32.46 30.85 1nr9 n ARG 157 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nr9 s GLN 158 N -1.48 0.26 -0.09 5.56 -0.21 -0.97 -4.11 119.66 118.62 1nr9 s GLN 158 Ca 0.00 0.68 -0.05 0.00 0.02 0.00 0.00 55.36 56.01 1nr9 s GLN 158 Cb 0.01 -0.04 0.04 0.00 1.00 0.00 0.00 33.01 34.01 1nr9 s GLN 158 CO 0.06 -0.19 0.21 -1.14 -2.12 0.00 0.00 175.29 172.12 1nr9 s GLN 159 N 1.59 0.19 0.00 2.91 2.00 -1.25 -1.61 119.66 123.49 1nr9 s GLN 159 Ca -0.07 0.43 0.00 0.00 -2.00 0.00 0.00 55.36 53.72 1nr9 s GLN 159 Cb -0.10 -0.07 0.00 0.00 0.80 0.00 0.00 33.01 33.64 1nr9 s GLN 159 CO -0.10 -0.13 0.00 0.41 -0.50 0.00 0.00 175.29 174.97 1nr9 n GLY 160 N 3.87 -1.28 3.12 2.59 0.00 -1.00 -4.76 105.19 107.72 1nr9 n GLY 160 Ca -0.22 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 1nr9 n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nr9 s THR 161 N -2.57 0.81 -2.00 2.61 2.01 -1.26 -1.27 115.64 113.97 1nr9 s THR 161 Ca 0.00 -1.24 0.07 0.00 0.31 0.00 0.00 61.69 60.83 1nr9 s THR 161 Cb 0.00 -0.89 0.21 0.00 0.01 0.00 0.00 72.50 71.83 1nr9 s THR 161 CO 0.00 -0.35 0.87 0.35 -0.69 0.00 0.00 174.62 174.80 1nr9 n THR 162 N 1.27 0.00 0.09 -0.82 -2.24 -0.37 -1.79 114.28 110.41 1nr9 n THR 162 Ca -0.21 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 1nr9 n THR 162 Cb 0.55 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 68.11 1nr9 n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nr9 h ALA 163 N 2.41 0.17 -1.48 6.98 0.00 -1.20 -3.42 119.26 122.71 1nr9 h ALA 163 Ca 0.00 -0.96 -0.55 0.00 0.00 0.00 0.00 54.91 53.40 1nr9 h ALA 163 Cb 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1nr9 h ALA 163 CO 0.00 1.04 0.98 -0.51 0.00 0.00 0.00 179.25 180.77 1nr9 s ASP 164 N -7.06 6.28 0.00 0.00 1.01 -0.74 -5.06 116.67 111.10 1nr9 s ASP 164 Ca -0.05 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 52.96 1nr9 s ASP 164 Cb 0.07 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1nr9 s ASP 164 CO 0.87 -1.65 0.00 -0.38 0.21 0.00 0.00 175.17 174.22 1nr9 n ILE 166 N 6.47 0.00 -2.17 0.77 5.41 -0.53 -2.11 119.36 127.20 1nr9 n ILE 166 Ca 0.05 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.40 1nr9 n ILE 166 Cb 0.49 -0.24 -0.03 0.00 -0.71 0.00 0.00 39.64 39.15 1nr9 n ILE 166 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1nr9 s HIS 167 N 0.00 1.90 1.11 1.39 3.76 -1.26 -4.96 115.29 117.23 1nr9 s HIS 167 Ca 0.00 0.61 -0.19 0.00 -0.15 0.00 0.00 55.06 55.33 1nr9 s HIS 167 Cb 0.00 -4.22 0.09 0.00 1.11 0.00 0.00 32.58 29.56 1nr9 s HIS 167 CO 0.00 -2.29 -0.08 1.63 -0.85 0.00 0.00 174.74 173.15 1nr9 n LYS 168 N 8.96 -1.51 0.00 1.40 5.02 -1.26 -4.67 118.16 126.10 1nr9 n LYS 168 Ca 0.17 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1nr9 n LYS 168 Cb 0.50 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1nr9 n LYS 168 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1nr9 n ILE 169 N -4.37 0.00 -0.36 -0.18 5.41 -1.26 -1.64 119.36 116.96 1nr9 n ILE 169 Ca 0.01 0.93 0.11 0.00 1.00 0.00 0.00 62.75 64.79 1nr9 n ILE 169 Cb 0.63 -1.87 0.29 0.00 -0.71 0.00 0.00 39.64 37.98 1nr9 n ILE 169 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1nr9 h VAL 170 N 0.00 0.79 0.00 1.39 3.04 -1.94 0.27 116.25 119.80 1nr9 h VAL 170 Ca 0.00 -0.29 -0.03 0.00 -1.01 0.00 0.00 66.70 65.37 1nr9 h VAL 170 Cb 0.00 -0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 29.13 1nr9 h VAL 170 CO 0.00 0.16 -0.12 -0.65 -1.01 0.00 0.00 177.57 175.95 1nr9 h PRO 171 N 0.86 0.00 0.00 4.17 0.11 -1.90 -0.57 132.00 134.67 1nr9 h PRO 171 Ca 0.55 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.47 1nr9 h PRO 171 Cb 0.74 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1nr9 h PRO 171 CO -0.34 0.12 -0.91 1.25 -0.21 0.00 0.00 178.00 177.91 1nr9 h LEU 172 N 0.00 0.00 -0.11 2.35 5.85 0.41 -2.81 115.31 121.00 1nr9 h LEU 172 Ca -0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 1nr9 h LEU 172 Cb 0.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.27 1nr9 h LEU 172 CO 0.02 0.91 -0.97 0.40 -0.34 0.00 0.00 178.44 178.46 1nr9 h ILE 173 N 0.00 1.35 -0.44 4.05 2.04 0.17 -3.23 117.51 121.45 1nr9 h ILE 173 Ca -0.01 -2.35 -0.09 0.00 1.00 0.00 0.00 64.86 63.42 1nr9 h ILE 173 Cb 1.70 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 40.14 1nr9 h ILE 173 CO 0.12 0.71 -0.07 0.00 0.00 0.00 0.00 178.15 178.91 1nr9 h ALA 174 N 0.61 0.60 0.00 1.87 0.00 -1.22 -2.01 119.26 119.10 1nr9 h ALA 174 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1nr9 h ALA 174 Cb 1.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1nr9 h ALA 174 CO 0.18 0.46 0.00 0.98 0.00 0.00 0.00 179.25 180.87 1nr9 n TYR 175 N -4.32 0.00 -0.00 0.00 9.36 -1.06 -3.30 117.16 117.84 1nr9 n TYR 175 Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1nr9 n TYR 175 Cb 0.35 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 1nr9 n TYR 175 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1nr9 n SER 177 N 0.75 0.00 -0.01 2.98 3.41 -0.76 -4.08 113.62 115.92 1nr9 n SER 177 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1nr9 n SER 177 Cb 0.00 -0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1nr9 n SER 177 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nr9 n LYS 178 N -0.00 0.63 -0.09 4.33 4.81 -1.21 0.55 118.16 127.18 1nr9 n LYS 178 Ca 0.00 0.26 -0.11 0.00 -0.87 0.00 0.00 58.31 57.58 1nr9 n LYS 178 Cb 0.00 -1.79 -0.10 0.00 0.02 0.00 0.00 35.03 33.17 1nr9 n LYS 178 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1nr9 n PHE 179 N -2.97 0.00 -3.95 5.64 3.01 -1.26 -4.89 117.46 113.04 1nr9 n PHE 179 Ca -0.15 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.08 1nr9 n PHE 179 Cb 0.98 -0.73 -0.17 0.00 -0.01 0.00 0.00 39.48 39.55 1nr9 n PHE 179 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1nr9 s PHE 180 N -2.37 0.92 0.31 1.38 0.40 -1.26 -5.12 117.98 112.24 1nr9 s PHE 180 Ca -0.19 -0.33 -0.29 0.00 -0.60 0.00 0.00 56.93 55.52 1nr9 s PHE 180 Cb 0.06 -0.88 -0.10 0.00 0.51 0.00 0.00 43.02 42.61 1nr9 s PHE 180 CO 0.49 -0.33 1.24 0.95 0.70 0.00 0.00 175.22 178.27 1nr9 s THR 181 N 1.57 2.99 -0.31 0.64 -4.23 -1.26 -3.86 115.64 111.17 1nr9 s THR 181 Ca -0.00 0.99 -0.11 0.00 -1.18 0.00 0.00 61.69 61.39 1nr9 s THR 181 Cb -0.13 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 1nr9 s THR 181 CO -0.04 0.24 0.20 -0.76 -0.54 0.00 0.00 174.62 173.71 1nr9 s LEU 182 N -1.65 4.25 0.37 4.79 1.43 -0.72 -4.93 118.68 122.22 1nr9 s LEU 182 Ca 0.47 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1nr9 s LEU 182 Cb -0.37 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1nr9 s LEU 182 CO 0.49 -0.17 0.62 -0.54 0.23 0.00 0.00 176.35 176.97 1nr9 s LYS 183 N 1.70 3.55 0.24 1.70 1.02 -1.26 -1.44 119.74 125.24 1nr9 s LYS 183 Ca 0.06 -0.07 -0.31 0.00 0.02 0.00 0.00 55.97 55.67 1nr9 s LYS 183 Cb -0.17 -2.57 -0.14 0.00 -0.52 0.00 0.00 37.83 34.43 1nr9 s LYS 183 CO 0.09 0.07 1.27 0.00 -0.92 0.00 0.00 175.35 175.86 1nr9 n ALA 184 N -1.65 0.46 0.00 5.17 0.00 -1.26 -0.93 120.51 122.30 1nr9 n ALA 184 Ca -0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1nr9 n ALA 184 Cb 0.55 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1nr9 n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nr9 n GLY 185 N 1.82 3.02 3.75 0.00 0.00 -0.21 -4.22 105.19 109.35 1nr9 n GLY 185 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1nr9 n GLY 185 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nr9 s ASP 186 N -0.15 5.39 0.04 1.61 1.11 -0.11 -4.55 116.67 120.01 1nr9 s ASP 186 Ca 0.00 2.54 0.07 0.00 0.18 0.00 0.00 52.55 55.34 1nr9 s ASP 186 Cb 0.00 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 1nr9 s ASP 186 CO 0.00 -1.47 -0.20 -0.69 1.18 0.00 0.00 175.17 173.99 1nr9 s VAL 187 N -1.45 2.61 -0.11 -1.27 1.01 -0.79 -1.24 120.40 119.17 1nr9 s VAL 187 Ca 0.72 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1nr9 s VAL 187 Cb -0.35 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1nr9 s VAL 187 CO 0.40 0.37 -0.24 -0.69 0.00 0.00 0.00 175.10 174.94 1nr9 s VAL 188 N -0.87 2.08 -0.22 2.92 1.01 0.21 -1.25 120.40 124.27 1nr9 s VAL 188 Ca 0.14 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 1nr9 s VAL 188 Cb -0.10 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1nr9 s VAL 188 CO 0.04 0.56 0.12 -0.76 0.00 0.00 0.00 175.10 175.05 1nr9 s LEU 189 N 0.40 3.92 -0.30 3.92 1.43 -0.58 -1.07 118.68 126.41 1nr9 s LEU 189 Ca -0.17 0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.07 1nr9 s LEU 189 Cb -0.18 -2.03 0.71 0.00 0.03 0.00 0.00 46.19 44.72 1nr9 s LEU 189 CO 0.07 0.08 1.74 0.35 0.23 0.00 0.00 176.35 178.83 1nr9 n THR 190 N 4.15 2.77 0.00 5.49 -2.24 -1.05 -2.70 114.28 120.69 1nr9 n THR 190 Ca -0.16 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 1nr9 n THR 190 Cb 0.52 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1nr9 n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nr9 n GLY 191 N -0.04 2.03 3.37 3.38 0.00 -1.26 -4.81 105.19 107.86 1nr9 n GLY 191 Ca 0.38 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1nr9 n GLY 191 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nr9 s THR 192 N -2.94 2.31 0.00 2.61 2.01 -1.26 -4.32 115.64 114.05 1nr9 s THR 192 Ca 0.00 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.71 1nr9 s THR 192 Cb 0.00 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.60 1nr9 s THR 192 CO 0.00 0.39 0.00 -2.65 -0.69 0.00 0.00 174.62 171.67 1nr9 n PRO 193 N 1.81 0.38 -2.46 4.92 -0.02 -1.26 -4.34 135.00 134.04 1nr9 n PRO 193 Ca -0.17 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.97 1nr9 n PRO 193 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 1nr9 n PRO 193 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nr9 s ASP 194 N -1.16 6.15 0.00 2.55 -0.00 -1.26 -4.45 116.67 118.50 1nr9 s ASP 194 Ca 0.00 2.00 0.00 0.00 -0.00 0.00 0.00 52.55 54.55 1nr9 s ASP 194 Cb 0.00 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.35 1nr9 s ASP 194 CO 0.00 -0.92 0.00 0.61 -0.00 0.00 0.00 175.17 174.86 1nr9 n GLY 195 N -0.13 0.92 3.68 0.21 0.00 -1.26 -4.35 105.19 104.26 1nr9 n GLY 195 Ca 0.10 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.53 1nr9 n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nr9 n VAL 196 N 0.00 0.23 -4.23 1.61 0.31 -1.26 -4.70 118.33 110.29 1nr9 n VAL 196 Ca 0.00 -0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.14 1nr9 n VAL 196 Cb 0.00 -1.10 -0.04 0.00 -0.91 0.00 0.00 33.84 31.79 1nr9 n VAL 196 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nr9 n GLY 197 N 4.50 3.55 3.92 2.92 0.00 -1.25 -4.94 105.19 113.89 1nr9 n GLY 197 Ca 0.30 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 1nr9 n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nr9 s PRO 198 N -2.82 3.52 0.09 1.61 0.04 -1.26 -1.03 135.00 135.14 1nr9 s PRO 198 Ca 0.15 -0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.25 1nr9 s PRO 198 Cb 0.01 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1nr9 s PRO 198 CO 0.11 -0.05 -0.22 -0.51 0.04 0.00 0.00 177.00 176.36 1nr9 s LEU 199 N -4.56 2.26 -0.01 -3.56 1.43 0.15 -4.80 118.68 109.59 1nr9 s LEU 199 Ca 0.44 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 1nr9 s LEU 199 Cb -0.10 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1nr9 s LEU 199 CO 0.41 0.12 0.20 -1.10 0.23 0.00 0.00 176.35 176.21 1nr9 s GLN 200 N -1.70 0.54 0.30 1.70 -0.21 -1.26 -4.50 119.66 114.52 1nr9 s GLN 200 Ca 0.08 -0.30 -0.21 0.00 0.02 0.00 0.00 55.36 54.95 1nr9 s GLN 200 Cb -0.10 0.23 -0.15 0.00 1.00 0.00 0.00 33.01 34.00 1nr9 s GLN 200 CO 0.04 -0.14 0.22 0.43 -2.12 0.00 0.00 175.29 173.72 1nr9 n SER 201 N 1.44 -2.08 0.00 5.90 7.64 -1.26 -1.22 113.62 124.03 1nr9 n SER 201 Ca -0.22 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1nr9 n SER 201 Cb 0.56 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1nr9 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nr9 n GLY 202 N 2.01 2.39 3.50 0.23 0.00 0.19 -4.94 105.19 108.57 1nr9 n GLY 202 Ca 0.12 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1nr9 n GLY 202 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nr9 n ASP 203 N 0.97 -0.03 -4.15 1.61 9.92 -0.36 -4.51 116.55 120.00 1nr9 n ASP 203 Ca 0.00 1.08 -0.33 0.00 -0.53 0.00 0.00 54.79 55.01 1nr9 n ASP 203 Cb 0.00 -1.15 -0.15 0.00 -0.64 0.00 0.00 41.12 39.18 1nr9 n ASP 203 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1nr9 s GLU 204 N -1.43 2.94 -0.02 -1.24 2.12 -1.26 -0.63 118.70 119.18 1nr9 s GLU 204 Ca 0.61 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 55.11 1nr9 s GLU 204 Cb -0.73 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1nr9 s GLU 204 CO 0.58 -0.27 -0.14 -0.48 -0.54 0.00 0.00 175.26 174.41 1nr9 s LEU 205 N 1.30 2.76 -0.15 2.70 0.05 -0.02 0.28 118.68 125.61 1nr9 s LEU 205 Ca 0.03 -0.25 0.01 0.00 0.05 0.00 0.00 54.13 53.98 1nr9 s LEU 205 Cb -0.14 -1.59 0.02 0.00 -2.05 0.00 0.00 46.19 42.43 1nr9 s LEU 205 CO -0.10 0.31 -0.19 0.42 -0.55 0.00 0.00 176.35 176.25 1nr9 s THR 206 N -0.82 1.88 -0.08 5.48 -4.23 -0.61 -2.06 115.64 115.19 1nr9 s THR 206 Ca 0.13 -0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1nr9 s THR 206 Cb -0.11 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.01 1nr9 s THR 206 CO 0.03 0.51 -0.04 0.54 -0.54 0.00 0.00 174.62 175.12 1nr9 s VAL 207 N 1.12 3.92 0.01 2.29 0.11 -0.54 -1.37 120.40 125.94 1nr9 s VAL 207 Ca -0.01 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1nr9 s VAL 207 Cb -0.14 -2.63 -0.01 0.00 -1.53 0.00 0.00 36.38 32.08 1nr9 s VAL 207 CO -0.07 0.59 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.39 1nr9 s THR 208 N -0.76 0.09 -0.41 5.04 2.01 0.10 -0.27 115.64 121.43 1nr9 s THR 208 Ca 0.12 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.87 1nr9 s THR 208 Cb -0.11 -0.12 0.17 0.00 0.01 0.00 0.00 72.50 72.44 1nr9 s THR 208 CO 0.02 -0.13 0.33 0.72 -0.69 0.00 0.00 174.62 174.88 1nr9 s PHE 209 N -0.42 1.06 -0.13 4.92 -0.00 0.32 -0.15 117.98 123.58 1nr9 s PHE 209 Ca -0.04 -2.30 -0.01 0.00 -0.00 0.00 0.00 56.93 54.59 1nr9 s PHE 209 Cb -0.03 -0.91 0.00 0.00 -0.00 0.00 0.00 43.02 42.08 1nr9 s PHE 209 CO -0.00 -0.83 0.01 -0.25 -0.00 0.00 0.00 175.22 174.15 1nr9 n ASP 210 N 2.89 -6.95 0.00 1.98 8.00 -0.93 -3.99 116.55 117.55 1nr9 n ASP 210 Ca 0.29 0.88 0.00 0.00 0.71 0.00 0.00 54.79 56.67 1nr9 n ASP 210 Cb 0.48 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 1nr9 n ASP 210 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nr9 n GLY 211 N 1.15 2.96 3.00 0.44 0.00 -1.26 -5.00 105.19 106.48 1nr9 n GLY 211 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1nr9 n GLY 211 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nr9 s HIS 212 N -2.42 1.02 0.04 1.61 3.76 -1.26 -5.15 115.29 112.90 1nr9 s HIS 212 Ca 0.00 -0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 54.63 1nr9 s HIS 212 Cb 0.00 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 1nr9 s HIS 212 CO 0.00 -0.13 -0.03 -1.54 -0.85 0.00 0.00 174.74 172.19 1nr9 s SER 213 N 0.31 0.47 0.16 1.40 1.04 -1.26 -0.53 113.70 115.29 1nr9 s SER 213 Ca -0.05 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 55.55 1nr9 s SER 213 Cb -0.10 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 1nr9 s SER 213 CO 0.01 -0.50 -0.05 -0.76 0.98 0.00 0.00 173.24 172.92 1nr9 s LEU 214 N -2.51 2.35 -0.17 2.42 1.43 0.62 -4.97 118.68 117.85 1nr9 s LEU 214 Ca 0.01 -1.10 -0.09 0.00 -1.03 0.00 0.00 54.13 51.92 1nr9 s LEU 214 Cb 0.03 -0.22 0.06 0.00 0.03 0.00 0.00 46.19 46.09 1nr9 s LEU 214 CO -0.07 -0.45 0.40 -0.89 0.23 0.00 0.00 176.35 175.57 1nr9 s THR 215 N -3.47 -0.12 0.24 5.49 2.01 -1.26 -1.47 115.64 117.06 1nr9 s THR 215 Ca 0.20 0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.21 1nr9 s THR 215 Cb 0.04 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 1nr9 s THR 215 CO 0.02 0.05 0.42 0.42 -0.69 0.00 0.00 174.62 174.84 1nr9 s THR 216 N 1.59 0.00 0.39 -0.82 -4.23 -0.88 -4.95 115.64 106.74 1nr9 s THR 216 Ca -0.08 -1.52 0.06 0.00 -1.18 0.00 0.00 61.69 58.97 1nr9 s THR 216 Cb -0.09 -2.28 -0.08 0.00 1.34 0.00 0.00 72.50 71.39 1nr9 s THR 216 CO -0.12 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 173.97 1nr9 s ARG 217 N -4.00 1.90 -0.26 3.99 3.03 -1.26 -0.84 118.95 121.51 1nr9 s ARG 217 Ca 0.26 -2.07 -0.12 0.00 2.03 0.00 0.00 55.73 55.82 1nr9 s ARG 217 Cb 0.01 -1.50 -0.05 0.00 -1.03 0.00 0.00 34.95 32.38 1nr9 s ARG 217 CO 0.10 -0.07 0.24 0.08 -1.13 0.00 0.00 175.30 174.52 1nr9 s VAL 218 N -2.82 5.28 -1.19 4.99 1.01 0.20 -1.37 120.40 126.50 1nr9 s VAL 218 Ca 0.35 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1nr9 s VAL 218 Cb 0.10 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1nr9 s VAL 218 CO 0.18 0.25 0.30 0.18 0.00 0.00 0.00 175.10 176.00