#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 3.58 -0.23 4.41 5.04 -1.26 -5.06 117.35 123.83 1nr9 s TYR 2 Ca 0.00 0.79 -0.19 0.00 -2.44 0.00 0.00 57.07 55.23 1nr9 s TYR 2 Cb 0.00 -2.16 0.06 0.00 0.35 0.00 0.00 41.96 40.21 1nr9 s TYR 2 CO 0.00 0.51 0.60 -0.65 -1.34 0.00 0.00 175.55 174.67 1nr9 s GLN 3 N -1.96 0.67 0.21 4.97 -0.21 -1.26 -5.04 119.66 117.04 1nr9 s GLN 3 Ca 0.34 0.92 -0.32 0.00 0.02 0.00 0.00 55.36 56.31 1nr9 s GLN 3 Cb -0.14 0.26 -0.13 0.00 1.00 0.00 0.00 33.01 34.00 1nr9 s GLN 3 CO 0.18 -0.11 1.50 0.72 -2.12 0.00 0.00 175.29 175.47 1nr9 n HIS 4 N 3.25 2.27 -3.72 0.91 8.25 -1.26 -4.92 115.22 120.01 1nr9 n HIS 4 Ca -0.16 0.34 -0.12 0.00 -0.26 0.00 0.00 57.72 57.52 1nr9 n HIS 4 Cb 0.56 -2.51 -0.07 0.00 1.12 0.00 0.00 29.99 29.09 1nr9 n HIS 4 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1nr9 s HIS 5 N 0.38 -0.19 1.08 4.41 -3.43 -1.26 -0.70 115.29 115.58 1nr9 s HIS 5 Ca 0.73 0.13 -0.17 0.00 -0.80 0.00 0.00 55.06 54.95 1nr9 s HIS 5 Cb -0.65 0.15 0.23 0.00 -1.43 0.00 0.00 32.58 30.88 1nr9 s HIS 5 CO 0.44 -0.51 1.16 0.54 -2.00 0.00 0.00 174.74 174.37 1nr9 s ASN 6 N -1.90 2.02 0.50 7.38 2.20 0.27 0.75 114.94 126.17 1nr9 s ASN 6 Ca -0.07 0.65 0.17 0.00 -0.94 0.00 0.00 52.86 52.68 1nr9 s ASN 6 Cb -0.02 -0.94 1.24 0.00 -2.00 0.00 0.00 41.25 39.53 1nr9 s ASN 6 CO -0.01 -3.44 2.09 -0.25 -2.94 0.00 0.00 177.10 172.54 1nr9 h TRP 7 N -2.12 0.09 0.00 1.54 2.91 -1.72 -1.97 115.95 114.68 1nr9 h TRP 7 Ca -0.47 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.42 1nr9 h TRP 7 Cb 1.29 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.89 1nr9 h TRP 7 CO -1.27 0.05 -0.65 0.37 -1.03 0.00 0.00 178.44 175.92 1nr9 h GLN 8 N 0.09 0.00 0.00 2.65 4.15 -1.91 -3.45 115.11 116.64 1nr9 h GLN 8 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1nr9 h GLN 8 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1nr9 h GLN 8 CO -0.01 0.65 0.00 0.41 -1.93 0.00 0.00 178.83 177.95 1nr9 n GLY 9 N 0.49 1.00 3.75 2.39 0.00 -0.74 -5.11 105.19 106.96 1nr9 n GLY 9 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.96 3.36 0.11 4.61 0.00 -1.26 -4.79 121.76 121.83 1nr9 s ALA 10 Ca 0.00 0.73 -0.31 0.00 0.00 0.00 0.00 51.96 52.38 1nr9 s ALA 10 Cb 0.00 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1nr9 s ALA 10 CO 0.00 0.04 1.40 -0.51 0.00 0.00 0.00 175.76 176.69 1nr9 s LEU 11 N -1.16 4.37 0.55 0.00 1.43 -1.26 -0.56 118.68 122.05 1nr9 s LEU 11 Ca 0.43 2.32 -0.10 0.00 -1.03 0.00 0.00 54.13 55.75 1nr9 s LEU 11 Cb -0.28 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.31 1nr9 s LEU 11 CO 0.35 -0.66 0.94 -0.76 0.23 0.00 0.00 176.35 176.45 1nr9 s LEU 12 N 1.20 3.43 -0.96 1.79 1.43 0.12 -4.87 118.68 120.83 1nr9 s LEU 12 Ca 0.65 1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 55.01 1nr9 s LEU 12 Cb -0.37 -4.30 0.16 0.00 0.03 0.00 0.00 46.19 41.71 1nr9 s LEU 12 CO 0.30 -0.72 2.38 -0.67 0.23 0.00 0.00 176.35 177.87 1nr9 n ASP 13 N -2.33 7.41 -4.00 2.29 2.03 -1.26 -4.84 116.55 115.85 1nr9 n ASP 13 Ca 0.04 -3.32 -0.17 0.00 0.52 0.00 0.00 54.79 51.86 1nr9 n ASP 13 Cb 0.54 -1.26 -0.14 0.00 -0.72 0.00 0.00 41.12 39.54 1nr9 n ASP 13 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1nr9 s TYR 14 N -2.15 0.66 0.96 -0.67 1.51 -1.26 -5.05 117.35 111.35 1nr9 s TYR 14 Ca 0.53 -0.17 -0.14 0.00 -1.01 0.00 0.00 57.07 56.28 1nr9 s TYR 14 Cb 0.27 -0.42 0.17 0.00 -0.11 0.00 0.00 41.96 41.87 1nr9 s TYR 14 CO -0.17 -0.02 1.17 -1.25 -1.11 0.00 0.00 175.55 174.17 1nr9 s PRO 15 N -0.35 0.70 -0.09 -1.71 0.04 -1.26 -4.68 135.00 127.65 1nr9 s PRO 15 Ca 0.01 0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.17 1nr9 s PRO 15 Cb -0.04 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 1nr9 s PRO 15 CO -0.00 -2.46 -0.17 0.08 0.04 0.00 0.00 177.00 174.49 1nr9 s VAL 16 N -3.36 2.75 0.01 -0.36 1.01 -1.26 -4.23 120.40 114.95 1nr9 s VAL 16 Ca 0.67 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1nr9 s VAL 16 Cb -0.12 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1nr9 s VAL 16 CO 0.53 0.55 0.00 -1.20 0.00 0.00 0.00 175.10 174.99 1nr9 n SER 17 N 3.10 -0.00 -3.98 3.32 7.64 -1.26 -4.97 113.62 117.47 1nr9 n SER 17 Ca -0.18 0.01 -0.10 0.00 1.01 0.00 0.00 58.87 59.62 1nr9 n SER 17 Cb 0.52 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 1nr9 n SER 17 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1nr9 s LYS 18 N -1.03 1.34 -0.11 1.43 -2.85 -1.26 -1.92 119.74 115.34 1nr9 s LYS 18 Ca 0.00 -1.22 0.01 0.00 -1.00 0.00 0.00 55.97 53.76 1nr9 s LYS 18 Cb 0.00 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1nr9 s LYS 18 CO 0.00 -0.52 -0.13 0.08 0.10 0.00 0.00 175.35 174.88 1nr9 s VAL 19 N -4.00 1.37 -0.24 1.79 1.01 -0.18 -1.56 120.40 118.59 1nr9 s VAL 19 Ca 0.21 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1nr9 s VAL 19 Cb 0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1nr9 s VAL 19 CO 0.05 0.42 0.06 -0.69 0.00 0.00 0.00 175.10 174.93 1nr9 s VAL 20 N 1.14 4.23 0.36 2.92 1.01 0.63 -0.14 120.40 130.55 1nr9 s VAL 20 Ca -0.04 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.82 1nr9 s VAL 20 Cb -0.14 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1nr9 s VAL 20 CO -0.03 0.36 0.03 0.00 0.00 0.00 0.00 175.10 175.46 1nr9 s VAL 22 N -2.55 4.93 0.00 0.00 1.01 -1.00 -2.54 120.40 120.24 1nr9 s VAL 22 Ca 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1nr9 s VAL 22 Cb 0.02 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1nr9 s VAL 22 CO 0.20 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1nr9 n GLY 23 N -0.28 0.50 3.73 4.51 0.00 0.32 -4.73 105.19 109.24 1nr9 n GLY 23 Ca -0.07 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1nr9 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nr9 s SER 24 N -1.09 7.32 0.00 1.61 1.04 -1.26 -4.65 113.70 116.66 1nr9 s SER 24 Ca 0.00 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1nr9 s SER 24 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1nr9 s SER 24 CO 0.00 -0.09 0.83 -3.20 0.98 0.00 0.00 173.24 171.76 1nr9 n ASN 25 N 3.14 0.00 -4.13 7.02 5.15 -1.26 -4.76 115.26 120.42 1nr9 n ASN 25 Ca 0.01 -1.68 -0.22 0.00 -0.60 0.00 0.00 54.58 52.09 1nr9 n ASN 25 Cb 0.50 -0.14 -0.14 0.00 -0.53 0.00 0.00 39.78 39.47 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 0.00 1.28 -0.19 1.20 2.02 -1.26 0.16 117.35 120.56 1nr9 s TYR 26 Ca 0.00 -0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.25 1nr9 s TYR 26 Cb 0.00 -0.80 -0.07 0.00 -0.40 0.00 0.00 41.96 40.70 1nr9 s TYR 26 CO 0.00 0.01 0.78 0.00 -1.57 0.00 0.00 175.55 174.77 1nr9 n ALA 27 N 2.34 0.08 0.00 3.71 0.00 -0.90 -4.90 120.51 120.84 1nr9 n ALA 27 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1nr9 n ALA 27 Cb 0.55 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1nr9 n ALA 27 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1nr9 n VAL 37 N 2.35 0.00 -2.36 0.00 3.14 -1.26 -5.11 118.33 115.09 1nr9 n VAL 37 Ca 0.20 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.15 1nr9 n VAL 37 Cb -0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.74 1nr9 n VAL 37 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1nr9 s PRO 38 N 0.00 4.19 1.13 1.45 0.04 -1.26 -5.00 135.00 135.55 1nr9 s PRO 38 Ca 0.00 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1nr9 s PRO 38 Cb 0.00 -3.81 0.20 0.00 0.04 0.00 0.00 34.50 30.93 1nr9 s PRO 38 CO 0.00 -0.78 0.61 0.39 0.04 0.00 0.00 177.00 177.26 1nr9 n GLU 39 N 6.76 -1.93 -1.73 4.56 1.02 -1.26 -4.91 120.64 123.16 1nr9 n GLU 39 Ca 0.14 -0.54 -0.42 0.00 -0.02 0.00 0.00 57.16 56.33 1nr9 n GLU 39 Cb 0.45 -1.98 -0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1nr9 n GLU 39 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nr9 n GLU 40 N -3.65 2.63 -1.77 3.49 -0.58 -1.26 -4.90 120.64 114.59 1nr9 n GLU 40 Ca 0.03 0.94 -0.42 0.00 -0.42 0.00 0.00 57.16 57.29 1nr9 n GLU 40 Cb 0.57 -2.72 -0.02 0.00 -0.57 0.00 0.00 31.44 28.71 1nr9 n GLU 40 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1nr9 s PRO 41 N -0.18 4.12 -0.05 3.49 0.02 -1.26 -4.94 135.00 136.20 1nr9 s PRO 41 Ca 0.67 2.59 -0.30 0.00 0.02 0.00 0.00 61.00 63.98 1nr9 s PRO 41 Cb -0.52 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 30.95 1nr9 s PRO 41 CO 0.46 -0.65 1.02 0.08 -0.33 0.00 0.00 177.00 177.58 1nr9 s VAL 42 N 0.08 4.74 -0.04 3.83 1.01 -1.26 -4.95 120.40 123.81 1nr9 s VAL 42 Ca 0.64 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.67 1nr9 s VAL 42 Cb -0.48 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.61 1nr9 s VAL 42 CO 0.47 0.08 -0.22 -0.76 0.00 0.00 0.00 175.10 174.67 1nr9 s LEU 43 N 1.53 2.02 0.22 3.92 1.02 -1.26 -0.52 118.68 125.60 1nr9 s LEU 43 Ca 0.51 -0.44 -0.08 0.00 0.02 0.00 0.00 54.13 54.14 1nr9 s LEU 43 Cb -0.21 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 44.78 1nr9 s LEU 43 CO 0.23 0.23 0.33 0.72 0.02 0.00 0.00 176.35 177.88 1nr9 s PHE 44 N -0.21 0.62 0.09 0.29 -0.12 -1.05 -5.01 117.98 112.60 1nr9 s PHE 44 Ca -0.00 -0.94 0.04 0.00 -0.05 0.00 0.00 56.93 55.98 1nr9 s PHE 44 Cb -0.12 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.15 1nr9 s PHE 44 CO 0.02 -0.83 -0.11 0.42 -0.05 0.00 0.00 175.22 174.66 1nr9 s ILE 45 N -4.05 0.98 -0.06 -4.49 1.01 -1.26 -0.89 121.20 112.43 1nr9 s ILE 45 Ca 0.27 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.44 1nr9 s ILE 45 Cb 0.02 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 1nr9 s ILE 45 CO 0.08 -0.46 -0.22 -0.54 0.00 0.00 0.00 174.94 173.81 1nr9 s LYS 46 N -2.45 2.33 1.09 2.79 1.02 0.80 -4.72 119.74 120.60 1nr9 s LYS 46 Ca 0.03 -0.78 -0.16 0.00 0.02 0.00 0.00 55.97 55.07 1nr9 s LYS 46 Cb -0.05 -1.95 0.23 0.00 -0.52 0.00 0.00 37.83 35.54 1nr9 s LYS 46 CO 0.01 0.29 1.14 -2.14 -0.92 0.00 0.00 175.35 173.73 1nr9 s PRO 47 N 0.01 -0.30 0.41 -1.68 0.02 -1.26 -1.01 135.00 131.18 1nr9 s PRO 47 Ca -0.06 0.05 0.19 0.00 0.02 0.00 0.00 61.00 61.20 1nr9 s PRO 47 Cb -0.14 -1.69 0.90 0.00 0.02 0.00 0.00 34.50 33.59 1nr9 s PRO 47 CO 0.04 -3.12 1.86 1.05 -0.33 0.00 0.00 177.00 176.49 1nr9 h GLU 48 N -2.16 0.00 0.00 5.54 4.11 -1.76 -2.50 114.58 117.81 1nr9 h GLU 48 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1nr9 h GLU 48 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1nr9 h GLU 48 CO 0.44 0.31 0.00 -2.37 0.07 0.00 0.00 179.01 177.45 1nr9 n THR 49 N -3.78 0.00 0.32 -1.06 5.66 -1.26 -1.95 114.28 112.22 1nr9 n THR 49 Ca -0.01 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.02 1nr9 n THR 49 Cb 0.40 -0.44 -0.01 0.00 -1.55 0.00 0.00 70.33 68.73 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 -0.76 2.71 -1.80 1.79 0.00 -0.94 -3.25 120.51 118.26 1nr9 n ALA 50 Ca 0.08 -0.35 -0.37 0.00 0.00 0.00 0.00 53.44 52.80 1nr9 n ALA 50 Cb 0.04 -0.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.60 4.36 -0.07 0.00 1.43 -0.82 -0.59 118.68 121.40 1nr9 s LEU 51 Ca 0.05 1.81 -0.29 0.00 -1.03 0.00 0.00 54.13 54.67 1nr9 s LEU 51 Cb 0.06 -3.96 0.11 0.00 0.03 0.00 0.00 46.19 42.43 1nr9 s LEU 51 CO 0.20 -0.04 0.91 0.00 0.23 0.00 0.00 176.35 177.64 1nr9 s ASP 53 N -1.85 6.55 0.30 0.00 -1.08 -1.26 -0.31 116.67 119.02 1nr9 s ASP 53 Ca 0.01 2.49 0.25 0.00 -0.52 0.00 0.00 52.55 54.78 1nr9 s ASP 53 Cb -0.01 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.64 1nr9 s ASP 53 CO -0.03 -0.97 1.73 0.25 0.52 0.00 0.00 175.17 176.67 1nr9 h LEU 54 N 9.94 0.00 0.00 -1.34 5.85 -1.31 -3.09 115.31 125.36 1nr9 h LEU 54 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1nr9 h LEU 54 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1nr9 h LEU 54 CO 0.94 0.00 0.00 0.54 -0.34 0.00 0.00 178.44 179.58 1nr9 n ARG 55 N -2.56 0.41 -4.16 1.25 1.74 -1.26 -4.71 116.66 107.36 1nr9 n ARG 55 Ca 0.04 0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.93 1nr9 n ARG 55 Cb 0.43 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.48 2.23 0.07 5.56 -0.21 -1.17 -4.94 119.66 118.72 1nr9 s GLN 56 Ca 0.25 -1.76 -0.31 0.00 0.02 0.00 0.00 55.36 53.56 1nr9 s GLN 56 Cb 0.16 -2.02 -0.09 0.00 1.00 0.00 0.00 33.01 32.07 1nr9 s GLN 56 CO 0.35 -0.02 1.77 -1.25 -2.12 0.00 0.00 175.29 174.02 1nr9 s PRO 57 N -3.86 4.17 -0.02 2.91 0.04 -1.26 -4.66 135.00 132.31 1nr9 s PRO 57 Ca 0.39 2.45 -0.30 0.00 0.04 0.00 0.00 61.00 63.59 1nr9 s PRO 57 Cb 0.02 -3.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1nr9 s PRO 57 CO 0.22 -0.82 1.20 -0.51 0.04 0.00 0.00 177.00 177.13 1nr9 s LEU 58 N 3.12 4.30 -0.17 -3.56 1.43 -0.16 -4.81 118.68 118.83 1nr9 s LEU 58 Ca 0.79 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 55.59 1nr9 s LEU 58 Cb -0.42 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1nr9 s LEU 58 CO 0.35 -0.55 0.40 0.00 0.23 0.00 0.00 176.35 176.77 1nr9 s ALA 59 N 1.91 3.55 0.24 4.21 0.00 -1.26 -0.51 121.76 129.90 1nr9 s ALA 59 Ca 0.57 -0.43 0.11 0.00 0.00 0.00 0.00 51.96 52.20 1nr9 s ALA 59 Cb -0.26 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1nr9 s ALA 59 CO 0.24 -0.15 -0.19 0.96 0.00 0.00 0.00 175.76 176.62 1nr9 s ILE 60 N 0.99 2.22 1.12 0.00 -4.36 -1.26 -4.91 121.20 115.00 1nr9 s ILE 60 Ca 0.20 -2.29 -0.14 0.00 -0.26 0.00 0.00 60.65 58.16 1nr9 s ILE 60 Cb -0.14 -2.19 0.25 0.00 1.25 0.00 0.00 42.46 41.63 1nr9 s ILE 60 CO 0.08 -0.43 1.06 -2.84 0.24 0.00 0.00 174.94 173.04 1nr9 s PRO 61 N -3.44 -0.57 0.00 0.37 0.02 -1.26 -5.00 135.00 125.11 1nr9 s PRO 61 Ca 0.26 0.53 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1nr9 s PRO 61 Cb -0.04 -1.62 0.00 0.00 0.02 0.00 0.00 34.50 32.86 1nr9 s PRO 61 CO 0.12 -3.41 0.00 0.43 -0.33 0.00 0.00 177.00 173.81 1nr9 n SER 62 N -4.65 0.78 -2.25 2.53 7.64 -1.26 -4.86 113.62 111.54 1nr9 n SER 62 Ca 0.05 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.61 1nr9 n SER 62 Cb 0.57 0.11 0.07 0.00 -1.01 0.00 0.00 64.21 63.95 1nr9 n SER 62 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nr9 n ASP 63 N -0.53 6.99 -0.03 6.43 10.43 -1.26 -4.33 116.55 134.25 1nr9 n ASP 63 Ca 0.00 -3.78 0.00 0.00 2.57 0.00 0.00 54.79 53.58 1nr9 n ASP 63 Cb 0.05 -0.85 0.00 0.00 1.84 0.00 0.00 41.12 42.16 1nr9 n ASP 63 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1nr9 n PHE 64 N -0.89 0.00 -1.66 1.24 3.01 -1.26 -5.15 117.46 112.75 1nr9 n PHE 64 Ca 0.59 0.00 0.00 0.00 1.01 0.00 0.00 57.45 59.05 1nr9 n PHE 64 Cb 0.76 0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 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 0.00 -1.35 3.73 1.37 0.00 -1.26 -4.52 105.19 103.17 1nr9 n GLY 65 Ca 0.00 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 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 0.11 2.97 -4.03 1.61 2.88 -1.26 -4.89 113.62 111.01 1nr9 n SER 66 Ca 0.00 1.11 -0.30 0.00 -1.33 0.00 0.00 58.87 58.35 1nr9 n SER 66 Cb 0.00 -1.56 -0.16 0.00 -0.75 0.00 0.00 64.21 61.74 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 -1.20 1.61 0.12 2.46 1.01 -1.26 -2.37 120.40 120.77 1nr9 s VAL 67 Ca 0.61 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1nr9 s VAL 67 Cb -0.47 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1nr9 s VAL 67 CO 0.58 0.47 0.05 -1.00 0.00 0.00 0.00 175.10 175.19 1nr9 s HIS 68 N 1.44 3.04 -0.05 5.22 3.76 0.22 -0.62 115.29 128.30 1nr9 s HIS 68 Ca 0.04 -0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1nr9 s HIS 68 Cb -0.13 -1.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 1nr9 s HIS 68 CO -0.10 0.50 0.02 -3.38 -0.85 0.00 0.00 174.74 170.93 1nr9 s HIS 69 N -1.49 3.17 -0.32 1.40 -3.43 -0.15 -1.42 115.29 113.04 1nr9 s HIS 69 Ca 0.28 0.17 -0.02 0.00 -0.80 0.00 0.00 55.06 54.69 1nr9 s HIS 69 Cb -0.11 -1.74 0.12 0.00 -1.43 0.00 0.00 32.58 29.41 1nr9 s HIS 69 CO 0.20 0.49 0.17 -1.21 -2.00 0.00 0.00 174.74 172.39 1nr9 s GLU 70 N -1.25 0.39 -0.05 -0.38 2.02 -1.23 -3.62 118.70 114.58 1nr9 s GLU 70 Ca 0.17 -0.93 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 1nr9 s GLU 70 Cb -0.12 -1.28 -0.06 0.00 0.10 0.00 0.00 34.13 32.78 1nr9 s GLU 70 CO 0.07 -1.10 1.66 0.54 0.02 0.00 0.00 175.26 176.44 1nr9 s VAL 71 N 1.60 3.58 0.11 2.63 0.11 -1.26 -0.81 120.40 126.36 1nr9 s VAL 71 Ca 0.13 0.70 0.04 0.00 -2.93 0.00 0.00 61.98 59.92 1nr9 s VAL 71 Cb -0.19 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 1nr9 s VAL 71 CO -0.19 -0.06 -0.11 -1.61 -3.33 0.00 0.00 175.10 169.80 1nr9 s GLU 72 N 4.04 0.93 -0.09 1.54 2.02 -0.21 -4.38 118.70 122.55 1nr9 s GLU 72 Ca 0.74 -1.24 -0.26 0.00 0.02 0.00 0.00 54.97 54.22 1nr9 s GLU 72 Cb -0.33 -0.63 -0.03 0.00 0.10 0.00 0.00 34.13 33.24 1nr9 s GLU 72 CO 0.30 0.10 0.84 -1.17 0.02 0.00 0.00 175.26 175.34 1nr9 s LEU 73 N -2.61 4.28 -0.14 1.80 2.96 -1.26 -0.50 118.68 123.20 1nr9 s LEU 73 Ca 0.09 1.33 -0.07 0.00 -0.22 0.00 0.00 54.13 55.25 1nr9 s LEU 73 Cb -0.02 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 1nr9 s LEU 73 CO 0.01 -0.27 0.12 0.00 -1.32 0.00 0.00 176.35 174.89 1nr9 s ALA 74 N 1.40 3.76 -0.20 5.97 0.00 0.27 -1.89 121.76 131.08 1nr9 s ALA 74 Ca 0.42 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 1nr9 s ALA 74 Cb -0.18 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1nr9 s ALA 74 CO 0.19 0.48 -0.15 0.08 0.00 0.00 0.00 175.76 176.35 1nr9 s VAL 75 N -0.60 2.39 -0.02 0.00 1.01 -0.82 -1.53 120.40 120.85 1nr9 s VAL 75 Ca 0.12 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1nr9 s VAL 75 Cb -0.12 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1nr9 s VAL 75 CO 0.02 0.45 0.61 -0.22 0.00 0.00 0.00 175.10 175.97 1nr9 s LEU 76 N 1.32 4.40 -0.21 3.92 2.96 0.27 -1.74 118.68 129.60 1nr9 s LEU 76 Ca 0.04 1.16 -0.08 0.00 -0.22 0.00 0.00 54.13 55.03 1nr9 s LEU 76 Cb -0.14 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1nr9 s LEU 76 CO -0.10 0.06 0.08 -0.63 -1.32 0.00 0.00 176.35 174.45 1nr9 s ILE 77 N -0.01 4.76 -1.49 6.68 1.01 -0.51 0.33 121.20 131.98 1nr9 s ILE 77 Ca 0.32 -0.03 0.23 0.00 0.00 0.00 0.00 60.65 61.17 1nr9 s ILE 77 Cb -0.18 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1nr9 s ILE 77 CO 0.17 0.41 1.16 0.61 0.00 0.00 0.00 174.94 177.29 1nr9 n GLY 78 N 4.04 -0.61 3.22 6.18 0.00 0.11 0.87 105.19 119.00 1nr9 n GLY 78 Ca -0.16 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.73 -0.37 0.09 4.61 0.00 -1.20 -4.57 121.76 117.58 1nr9 s ALA 79 Ca 0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 1nr9 s ALA 79 Cb 0.18 0.48 -0.07 0.00 0.00 0.00 0.00 23.12 23.71 1nr9 s ALA 79 CO 0.68 -0.51 1.29 -0.08 0.00 0.00 0.00 175.76 177.14 1nr9 s THR 80 N -3.63 3.70 -0.16 0.00 -1.32 -1.25 -4.13 115.64 108.85 1nr9 s THR 80 Ca 0.03 1.22 0.01 0.00 -1.21 0.00 0.00 61.69 61.74 1nr9 s THR 80 Cb 0.03 -3.78 0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1nr9 s THR 80 CO -0.10 0.10 -0.19 -0.76 -2.21 0.00 0.00 174.62 171.46 1nr9 s LEU 81 N 1.06 2.01 -0.08 9.08 1.02 0.19 -4.96 118.68 127.01 1nr9 s LEU 81 Ca 0.61 -0.59 -0.03 0.00 0.02 0.00 0.00 54.13 54.14 1nr9 s LEU 81 Cb -0.33 -1.39 0.04 0.00 0.02 0.00 0.00 46.19 44.54 1nr9 s LEU 81 CO 0.30 0.01 0.15 -0.60 0.02 0.00 0.00 176.35 176.23 1nr9 s ARG 82 N 1.18 0.05 -1.54 1.70 6.06 -1.26 -0.31 118.95 124.83 1nr9 s ARG 82 Ca 0.01 0.50 -0.15 0.00 -2.50 0.00 0.00 55.73 53.59 1nr9 s ARG 82 Cb -0.14 -0.25 0.13 0.00 0.06 0.00 0.00 34.95 34.75 1nr9 s ARG 82 CO -0.09 -0.27 0.70 1.04 -2.50 0.00 0.00 175.30 174.19 1nr9 n GLN 83 N 5.00 -3.36 -1.49 5.12 1.13 -0.99 -4.86 117.38 117.93 1nr9 n GLN 83 Ca -0.11 0.40 -0.33 0.00 -1.94 0.00 0.00 57.00 55.02 1nr9 n GLN 83 Cb 0.50 -5.14 0.08 0.00 0.11 0.00 0.00 30.24 25.79 1nr9 n GLN 83 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nr9 s ALA 84 N -3.14 2.25 0.27 -1.58 0.00 -1.26 -5.02 121.76 113.28 1nr9 s ALA 84 Ca 0.63 0.59 0.05 0.00 0.00 0.00 0.00 51.96 53.23 1nr9 s ALA 84 Cb -0.34 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1nr9 s ALA 84 CO 0.78 -1.65 0.40 0.95 0.00 0.00 0.00 175.76 176.23 1nr9 s THR 85 N -2.37 5.04 0.36 0.00 -4.23 -1.26 -4.87 115.64 108.32 1nr9 s THR 85 Ca 0.68 -0.92 0.14 0.00 -1.18 0.00 0.00 61.69 60.40 1nr9 s THR 85 Cb -0.22 -3.79 0.35 0.00 1.34 0.00 0.00 72.50 70.18 1nr9 s THR 85 CO 0.46 -0.33 1.77 -0.33 -0.54 0.00 0.00 174.62 175.66 1nr9 h GLU 86 N 1.07 0.50 -0.08 3.99 3.07 -1.97 -0.82 114.58 120.33 1nr9 h GLU 86 Ca -0.51 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.17 1nr9 h GLU 86 Cb 1.23 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 1nr9 h GLU 86 CO 0.60 0.33 -0.63 0.93 -1.40 0.00 0.00 179.01 178.84 1nr9 h GLU 87 N 0.51 0.30 -0.31 2.33 4.39 -1.98 -2.37 114.58 117.45 1nr9 h GLU 87 Ca 0.59 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 1nr9 h GLU 87 Cb 1.29 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 1nr9 h GLU 87 CO -0.34 0.83 0.13 0.45 -1.16 0.00 0.00 179.01 178.92 1nr9 h HIS 88 N 0.22 0.47 0.02 4.33 3.86 -1.56 -1.87 115.15 120.62 1nr9 h HIS 88 Ca -0.01 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1nr9 h HIS 88 Cb 1.15 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 1nr9 h HIS 88 CO 0.03 0.44 -0.07 0.28 0.86 0.00 0.00 177.93 179.47 1nr9 h VAL 89 N 0.36 0.00 -0.96 2.45 2.07 -1.25 -0.16 116.25 118.76 1nr9 h VAL 89 Ca 0.10 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.93 1nr9 h VAL 89 Cb 0.17 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.78 1nr9 h VAL 89 CO -0.01 0.00 0.41 0.03 0.02 0.00 0.00 177.57 178.02 1nr9 h ARG 90 N -0.10 0.21 0.00 1.57 3.08 -1.41 0.76 114.38 118.49 1nr9 h ARG 90 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1nr9 h ARG 90 Cb 0.10 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1nr9 h ARG 90 CO -0.04 0.14 0.00 1.17 -1.07 0.00 0.00 179.97 180.17 1nr9 n LYS 91 N -5.18 0.17 -0.01 0.04 0.00 -0.71 -3.76 118.16 108.72 1nr9 n LYS 91 Ca 0.29 0.27 0.08 0.00 0.00 0.00 0.00 58.31 58.94 1nr9 n LYS 91 Cb 0.91 -1.75 -0.12 0.00 0.00 0.00 0.00 35.03 34.08 1nr9 n LYS 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nr9 n ALA 92 N -1.71 2.57 -1.95 3.14 0.00 0.26 -4.92 120.51 117.90 1nr9 n ALA 92 Ca 0.04 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1nr9 n ALA 92 Cb 0.31 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 1nr9 n ALA 92 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1nr9 s ILE 93 N -3.08 3.29 -0.17 0.00 -4.36 -0.70 0.07 121.20 116.26 1nr9 s ILE 93 Ca -0.06 0.56 0.21 0.00 -0.26 0.00 0.00 60.65 61.10 1nr9 s ILE 93 Cb 0.10 -3.36 -0.10 0.00 1.25 0.00 0.00 42.46 40.35 1nr9 s ILE 93 CO 0.65 -0.03 0.87 0.00 0.24 0.00 0.00 174.94 176.67 1nr9 n ALA 94 N 6.43 2.37 0.00 2.27 0.00 0.15 -4.75 120.51 126.98 1nr9 n ALA 94 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1nr9 n ALA 94 Cb 0.42 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.27 0.15 3.26 0.00 0.00 -1.10 -1.90 105.19 106.87 1nr9 n GLY 95 Ca -0.04 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 1.54 0.22 1.61 1.51 0.21 -0.56 117.35 119.87 1nr9 s TYR 96 Ca 0.00 -0.50 -0.21 0.00 -1.01 0.00 0.00 57.07 55.35 1nr9 s TYR 96 Cb 0.00 -0.81 0.07 0.00 -0.11 0.00 0.00 41.96 41.11 1nr9 s TYR 96 CO 0.00 0.18 0.98 0.20 -1.11 0.00 0.00 175.55 175.81 1nr9 s GLY 97 N -2.30 0.12 0.10 0.71 0.00 -0.58 0.67 107.32 106.05 1nr9 s GLY 97 Ca 0.08 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.48 1nr9 s GLY 97 CO 0.04 1.66 0.08 -1.34 0.00 0.00 0.00 173.10 173.54 1nr9 s VAL 98 N -2.33 4.43 0.22 1.40 -7.23 -1.26 0.98 120.40 116.60 1nr9 s VAL 98 Ca 0.20 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1nr9 s VAL 98 Cb -0.03 -3.16 -0.04 0.00 0.56 0.00 0.00 36.38 33.71 1nr9 s VAL 98 CO 0.06 0.06 0.18 0.00 -0.31 0.00 0.00 175.10 175.09 1nr9 s ALA 99 N -1.47 1.09 -0.15 1.32 0.00 0.34 -2.00 121.76 120.88 1nr9 s ALA 99 Ca 0.29 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.62 1nr9 s ALA 99 Cb -0.12 1.36 0.01 0.00 0.00 0.00 0.00 23.12 24.38 1nr9 s ALA 99 CO 0.22 -0.62 -0.21 -1.17 0.00 0.00 0.00 175.76 173.98 1nr9 s LEU 100 N -3.16 2.08 -1.17 0.00 2.96 -0.45 -1.05 118.68 117.89 1nr9 s LEU 100 Ca 0.38 -0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 1nr9 s LEU 100 Cb 0.06 -1.43 0.22 0.00 0.50 0.00 0.00 46.19 45.54 1nr9 s LEU 100 CO 0.13 0.04 1.35 -0.67 -1.32 0.00 0.00 176.35 175.87 1nr9 n ASP 101 N 4.33 5.41 -4.68 3.68 -0.08 0.01 -3.36 116.55 121.85 1nr9 n ASP 101 Ca -0.20 -3.04 -0.42 0.00 -1.51 0.00 0.00 54.79 49.62 1nr9 n ASP 101 Cb 0.51 -1.47 -0.03 0.00 2.34 0.00 0.00 41.12 42.47 1nr9 n ASP 101 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1nr9 s LEU 102 N 0.06 4.32 0.06 -2.67 1.02 -0.70 -3.46 118.68 117.31 1nr9 s LEU 102 Ca 0.37 2.18 0.05 0.00 0.02 0.00 0.00 54.13 56.75 1nr9 s LEU 102 Cb -0.04 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.58 1nr9 s LEU 102 CO -0.02 -0.79 -0.14 0.42 0.02 0.00 0.00 176.35 175.84 1nr9 s THR 103 N 2.82 1.08 -0.70 5.49 -4.23 -0.51 -4.70 115.64 114.89 1nr9 s THR 103 Ca 0.67 -1.23 -0.19 0.00 -1.18 0.00 0.00 61.69 59.76 1nr9 s THR 103 Cb -0.33 -1.03 0.12 0.00 1.34 0.00 0.00 72.50 72.60 1nr9 s THR 103 CO 0.27 -0.19 0.84 -0.76 -0.54 0.00 0.00 174.62 174.25 1nr9 s LEU 104 N -1.61 5.34 0.20 4.79 1.43 0.18 0.69 118.68 129.70 1nr9 s LEU 104 Ca -0.02 -1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 51.32 1nr9 s LEU 104 Cb -0.10 -2.33 0.14 0.00 0.03 0.00 0.00 46.19 43.94 1nr9 s LEU 104 CO 0.02 -1.09 1.86 0.03 0.23 0.00 0.00 176.35 177.41 1nr9 h ARG 105 N 9.00 0.88 0.00 1.70 2.47 -1.78 0.70 114.38 127.35 1nr9 h ARG 105 Ca -0.15 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.50 1nr9 h ARG 105 Cb 1.07 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1nr9 h ARG 105 CO 1.07 0.58 -0.10 -0.44 0.56 0.00 0.00 179.97 181.64 1nr9 h ASP 106 N 0.91 0.00 0.27 7.04 3.45 -1.84 -0.48 116.42 125.77 1nr9 h ASP 106 Ca 0.26 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.38 1nr9 h ASP 106 Cb -0.08 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1nr9 h ASP 106 CO -0.07 0.10 -1.76 0.58 -1.57 0.00 0.00 179.24 176.53 1nr9 h VAL 107 N 0.00 0.90 -0.24 -1.35 2.07 -1.58 -3.17 116.25 112.88 1nr9 h VAL 107 Ca -0.00 -2.56 -0.14 0.00 0.82 0.00 0.00 66.70 64.83 1nr9 h VAL 107 Cb 0.28 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1nr9 h VAL 107 CO 0.01 0.83 -0.41 -0.61 0.02 0.00 0.00 177.57 177.41 1nr9 h GLN 108 N 0.08 0.58 -0.57 1.57 4.15 -0.65 -2.86 115.11 117.41 1nr9 h GLN 108 Ca -0.33 -0.30 0.03 0.00 0.77 0.00 0.00 58.65 58.82 1nr9 h GLN 108 Cb 2.05 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.71 1nr9 h GLN 108 CO 0.14 0.89 0.34 0.78 -1.93 0.00 0.00 178.83 179.05 1nr9 h GLY 109 N 1.04 0.82 -1.86 2.39 0.00 -1.21 0.97 103.07 105.23 1nr9 h GLY 109 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1nr9 h GLY 109 CO 0.08 0.21 0.00 0.28 0.00 0.00 0.00 176.54 177.11 1nr9 n LYS 110 N -4.77 0.52 0.00 4.80 5.02 -1.08 -2.51 118.16 120.14 1nr9 n LYS 110 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1nr9 n LYS 110 Cb 0.09 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 0.67 0.00 0.26 1.97 5.02 0.33 -2.88 118.16 123.53 1nr9 n LYS 112 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1nr9 n LYS 112 Cb 0.24 0.00 0.64 0.00 -0.02 0.00 0.00 35.03 35.89 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 0.00 -0.00 1.97 6.56 -1.74 -2.25 116.57 121.11 1nr9 h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1nr9 h LYS 113 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1nr9 h LYS 113 CO 0.00 0.02 -0.66 0.00 -2.06 0.00 0.00 179.45 176.75 1nr9 n ALA 114 N -2.52 3.97 -3.27 3.86 0.00 -1.14 -4.97 120.51 116.44 1nr9 n ALA 114 Ca -0.03 -0.51 -0.17 0.00 0.00 0.00 0.00 53.44 52.74 1nr9 n ALA 114 Cb 0.11 -0.93 0.07 0.00 0.00 0.00 0.00 19.45 18.70 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 1.46 -0.23 3.87 0.00 0.00 -0.85 -5.02 105.19 104.43 1nr9 n GLY 115 Ca 0.06 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.60 2.32 0.30 1.61 -0.21 -1.26 -5.05 119.66 111.76 1nr9 s GLN 116 Ca 0.25 -1.87 -0.29 0.00 0.02 0.00 0.00 55.36 53.46 1nr9 s GLN 116 Cb -0.11 -2.16 -0.10 0.00 1.00 0.00 0.00 33.01 31.64 1nr9 s GLN 116 CO 0.59 -0.45 1.40 -2.14 -2.12 0.00 0.00 175.29 172.56 1nr9 s PRO 117 N -4.20 4.28 0.00 2.91 0.02 -1.26 -4.71 135.00 132.04 1nr9 s PRO 117 Ca 0.39 2.31 0.25 0.00 0.02 0.00 0.00 61.00 63.97 1nr9 s PRO 117 Cb -0.02 -3.07 1.09 0.00 0.02 0.00 0.00 34.50 32.52 1nr9 s PRO 117 CO 0.23 -0.35 1.80 0.91 -0.33 0.00 0.00 177.00 179.26 1nr9 n TRP 118 N 1.51 0.00 -0.33 6.54 7.02 -1.26 -4.20 117.44 126.72 1nr9 n TRP 118 Ca 0.03 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.72 1nr9 n TRP 118 Cb 0.41 -0.46 0.42 0.00 -2.42 0.00 0.00 31.31 29.25 1nr9 n TRP 118 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1nr9 h GLU 119 N 0.00 0.33 0.00 -0.99 3.07 -1.92 0.16 114.58 115.22 1nr9 h GLU 119 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1nr9 h GLU 119 Cb 0.39 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1nr9 h GLU 119 CO 0.00 0.22 0.00 1.63 -1.40 0.00 0.00 179.01 179.46 1nr9 n LYS 120 N -5.07 0.01 -0.00 2.33 5.02 -1.26 -1.27 118.16 117.93 1nr9 n LYS 120 Ca 0.29 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1nr9 n LYS 120 Cb 0.88 -1.52 -0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1nr9 n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nr9 n ALA 121 N -1.52 2.02 0.11 7.82 0.00 0.36 -4.72 120.51 124.58 1nr9 n ALA 121 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1nr9 n ALA 121 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.53 2.90 -0.25 0.00 4.76 -0.07 -0.64 118.16 123.32 1nr9 n LYS 122 Ca -0.00 -0.02 0.08 0.00 -2.87 0.00 0.00 58.31 55.50 1nr9 n LYS 122 Cb 0.03 -0.91 0.15 0.00 -1.84 0.00 0.00 35.03 32.46 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 -1.38 2.64 -1.06 7.82 0.00 -0.40 -4.85 120.51 123.29 1nr9 n ALA 123 Ca 0.00 -2.75 -0.29 0.00 0.00 0.00 0.00 53.44 50.40 1nr9 n ALA 123 Cb 0.10 -0.38 0.20 0.00 0.00 0.00 0.00 19.45 19.37 1nr9 n ALA 123 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1nr9 s PHE 124 N -2.83 1.81 0.16 0.00 -0.71 -1.24 -4.69 117.98 110.47 1nr9 s PHE 124 Ca 0.33 0.95 -0.34 0.00 -1.04 0.00 0.00 56.93 56.82 1nr9 s PHE 124 Cb 0.30 -3.26 -0.14 0.00 -1.21 0.00 0.00 43.02 38.71 1nr9 s PHE 124 CO -0.00 -3.20 1.57 -0.25 -1.34 0.00 0.00 175.22 171.99 1nr9 n ASP 125 N -4.39 3.04 -3.76 1.98 9.92 -1.26 -2.24 116.55 119.85 1nr9 n ASP 125 Ca 0.05 1.09 -0.27 0.00 -0.53 0.00 0.00 54.79 55.13 1nr9 n ASP 125 Cb 0.57 -1.42 0.05 0.00 -0.64 0.00 0.00 41.12 39.68 1nr9 n ASP 125 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1nr9 n ASN 126 N 3.37 -5.49 -1.01 -2.24 3.02 -1.20 -4.87 115.26 106.83 1nr9 n ASN 126 Ca 0.17 -0.66 0.08 0.00 -0.03 0.00 0.00 54.58 54.14 1nr9 n ASN 126 Cb 0.28 -4.45 0.24 0.00 -0.61 0.00 0.00 39.78 35.24 1nr9 n ASN 126 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1nr9 n SER 127 N -2.93 2.95 -3.22 6.41 3.41 -0.69 -4.56 113.62 114.98 1nr9 n SER 127 Ca 0.02 -2.05 -0.22 0.00 -0.26 0.00 0.00 58.87 56.35 1nr9 n SER 127 Cb 0.55 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.05 4.31 0.09 0.00 0.02 -1.21 -2.80 135.00 135.36 1nr9 s PRO 129 Ca 0.33 2.06 0.08 0.00 0.02 0.00 0.00 61.00 63.49 1nr9 s PRO 129 Cb 0.07 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 1nr9 s PRO 129 CO -0.16 -0.46 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.32 1nr9 s LEU 130 N 1.36 2.26 0.63 -5.54 1.02 0.57 -1.35 118.68 117.64 1nr9 s LEU 130 Ca 0.65 -0.65 0.02 0.00 0.02 0.00 0.00 54.13 54.17 1nr9 s LEU 130 Cb -0.36 -0.97 0.08 0.00 0.02 0.00 0.00 46.19 44.97 1nr9 s LEU 130 CO 0.30 0.11 0.88 -0.94 0.02 0.00 0.00 176.35 176.71 1nr9 s SER 131 N -1.70 4.81 0.81 2.29 1.04 -0.85 -0.89 113.70 119.21 1nr9 s SER 131 Ca 0.08 -0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 1nr9 s SER 131 Cb -0.10 -0.30 0.08 0.00 0.10 0.00 0.00 66.02 65.81 1nr9 s SER 131 CO 0.04 -1.51 1.10 -0.83 0.98 0.00 0.00 173.24 173.02 1nr9 s GLY 132 N -4.61 1.67 -0.15 7.32 0.00 -1.26 -4.80 107.32 105.49 1nr9 s GLY 132 Ca 0.62 0.26 -0.08 0.00 0.00 0.00 0.00 44.72 45.52 1nr9 s GLY 132 CO 0.41 0.64 0.13 -1.36 0.00 0.00 0.00 173.10 172.93 1nr9 s PHE 133 N -2.87 3.53 -0.23 1.90 0.40 0.23 -4.40 117.98 116.54 1nr9 s PHE 133 Ca 0.62 0.45 -0.19 0.00 -0.60 0.00 0.00 56.93 57.22 1nr9 s PHE 133 Cb -0.18 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 1nr9 s PHE 133 CO 0.57 0.58 0.56 0.42 0.70 0.00 0.00 175.22 178.04 1nr9 s ILE 134 N -0.56 5.06 0.18 0.64 1.01 0.21 -2.70 121.20 125.05 1nr9 s ILE 134 Ca 0.13 1.00 -0.33 0.00 0.00 0.00 0.00 60.65 61.45 1nr9 s ILE 134 Cb -0.12 -3.87 -0.15 0.00 0.01 0.00 0.00 42.46 38.33 1nr9 s ILE 134 CO 0.02 0.12 1.19 -2.65 0.00 0.00 0.00 174.94 173.62 1nr9 n PRO 135 N 5.19 1.28 -0.34 2.79 -0.02 -1.26 -0.62 135.00 142.03 1nr9 n PRO 135 Ca -0.03 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 1nr9 n PRO 135 Cb 0.50 -1.97 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 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 3.47 -0.61 -0.23 3.55 0.00 -1.69 -0.09 119.26 123.66 1nr9 h ALA 136 Ca -0.43 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1nr9 h ALA 136 Cb 1.33 1.31 -0.01 0.00 0.00 0.00 0.00 17.79 20.42 1nr9 h ALA 136 CO 0.71 -0.98 0.05 0.00 0.00 0.00 0.00 179.25 179.03 1nr9 h ALA 137 N 0.33 1.66 0.00 0.00 0.00 -1.90 -2.07 119.26 117.29 1nr9 h ALA 137 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nr9 h ALA 137 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nr9 h ALA 137 CO -0.83 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.07 1nr9 n GLU 138 N -4.40 0.30 -2.32 0.00 1.02 -0.15 -4.72 120.64 110.39 1nr9 n GLU 138 Ca 0.00 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1nr9 n GLU 138 Cb 0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.66 2.29 -0.02 -0.32 5.36 -0.62 -4.91 117.98 117.10 1nr9 s PHE 139 Ca 0.23 0.63 -0.21 0.00 -0.96 0.00 0.00 56.93 56.61 1nr9 s PHE 139 Cb 0.18 -4.31 -0.05 0.00 -0.34 0.00 0.00 43.02 38.50 1nr9 s PHE 139 CO 0.43 -2.08 0.62 0.95 -1.46 0.00 0.00 175.22 173.68 1nr9 s THR 140 N 5.86 4.94 0.00 0.12 -4.23 -1.26 -4.86 115.64 116.22 1nr9 s THR 140 Ca 0.61 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 62.41 1nr9 s THR 140 Cb -0.14 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.74 1nr9 s THR 140 CO 0.31 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 1nr9 n GLY 141 N 2.64 -0.40 3.24 3.99 0.00 -1.26 -4.99 105.19 108.42 1nr9 n GLY 141 Ca -0.05 -2.25 -0.35 0.00 0.00 0.00 0.00 46.02 43.36 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 -2.49 4.33 0.38 1.61 3.68 -1.26 -4.98 116.67 117.93 1nr9 s ASP 142 Ca 0.00 -0.69 0.15 0.00 2.13 0.00 0.00 52.55 54.14 1nr9 s ASP 142 Cb 0.00 -1.70 1.02 0.00 -1.45 0.00 0.00 42.92 40.79 1nr9 s ASP 142 CO 0.00 -0.09 1.79 -0.65 0.13 0.00 0.00 175.17 176.34 1nr9 h PRO 143 N 8.06 0.46 -0.26 4.34 0.11 -1.94 0.40 132.00 143.18 1nr9 h PRO 143 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1nr9 h PRO 143 Cb 1.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1nr9 h PRO 143 CO 0.59 0.30 0.00 0.94 -0.21 0.00 0.00 178.00 179.63 1nr9 n GLN 144 N -4.64 1.70 -2.92 1.05 -0.06 -1.26 -4.11 117.38 107.14 1nr9 n GLN 144 Ca 0.24 -1.07 -0.13 0.00 -2.00 0.00 0.00 57.00 54.03 1nr9 n GLN 144 Cb 0.78 -1.28 0.03 0.00 -4.06 0.00 0.00 30.24 25.71 1nr9 n GLN 144 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1nr9 n ASN 145 N 0.35 -1.14 -4.40 1.69 4.05 0.14 -3.04 115.26 112.90 1nr9 n ASN 145 Ca 0.12 -3.37 -0.31 0.00 0.45 0.00 0.00 54.58 51.48 1nr9 n ASN 145 Cb 0.27 0.88 -0.14 0.00 1.23 0.00 0.00 39.78 42.03 1nr9 n ASN 145 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1nr9 s THR 146 N -0.72 2.49 0.25 -0.44 2.01 -1.05 -4.32 115.64 113.86 1nr9 s THR 146 Ca 0.30 -1.27 -0.30 0.00 0.31 0.00 0.00 61.69 60.73 1nr9 s THR 146 Cb 0.30 -2.01 -0.09 0.00 0.01 0.00 0.00 72.50 70.71 1nr9 s THR 146 CO -0.08 0.36 1.03 -0.89 -0.69 0.00 0.00 174.62 174.35 1nr9 s THR 147 N -0.86 3.79 -0.04 -0.82 2.01 -1.26 0.91 115.64 119.37 1nr9 s THR 147 Ca 0.13 1.75 0.04 0.00 0.31 0.00 0.00 61.69 63.93 1nr9 s THR 147 Cb -0.10 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.29 1nr9 s THR 147 CO 0.04 0.40 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.44 1nr9 s LEU 148 N -1.16 1.91 0.12 4.42 1.43 0.16 -2.03 118.68 123.54 1nr9 s LEU 148 Ca 0.44 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 53.04 1nr9 s LEU 148 Cb -0.29 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.07 1nr9 s LEU 148 CO 0.37 0.15 0.44 -0.94 0.23 0.00 0.00 176.35 176.60 1nr9 s SER 149 N 0.01 -0.31 -0.29 2.29 1.04 -0.57 -1.29 113.70 114.58 1nr9 s SER 149 Ca -0.02 -0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 1nr9 s SER 149 Cb -0.10 0.49 0.17 0.00 0.10 0.00 0.00 66.02 66.67 1nr9 s SER 149 CO 0.02 -0.85 0.56 -0.22 0.98 0.00 0.00 173.24 173.72 1nr9 s LEU 150 N -2.68 -1.19 0.15 2.42 2.96 0.26 -1.68 118.68 118.92 1nr9 s LEU 150 Ca 0.01 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1nr9 s LEU 150 Cb 0.01 1.97 -0.04 0.00 0.50 0.00 0.00 46.19 48.63 1nr9 s LEU 150 CO -0.11 -0.26 0.18 -0.94 -1.32 0.00 0.00 176.35 173.90 1nr9 s SER 151 N 2.80 5.80 -0.22 3.68 1.04 -0.46 -1.56 113.70 124.77 1nr9 s SER 151 Ca 0.14 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1nr9 s SER 151 Cb -0.14 -1.61 0.07 0.00 0.10 0.00 0.00 66.02 64.44 1nr9 s SER 151 CO -0.19 0.07 0.04 -0.69 0.98 0.00 0.00 173.24 173.45 1nr9 s VAL 152 N -1.72 0.65 -1.49 5.02 1.01 0.13 -1.62 120.40 122.37 1nr9 s VAL 152 Ca 0.32 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1nr9 s VAL 152 Cb -0.11 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1nr9 s VAL 152 CO 0.25 -0.30 0.76 0.59 0.00 0.00 0.00 175.10 176.40 1nr9 n ASN 153 N 4.99 -6.19 0.00 3.32 3.02 0.41 -1.29 115.26 119.52 1nr9 n ASN 153 Ca -0.08 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 1nr9 n ASN 153 Cb 0.46 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.68 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 -1.65 2.23 3.64 7.41 0.00 -1.26 -5.03 105.19 110.52 1nr9 n GLY 154 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1nr9 n GLY 154 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nr9 s GLU 155 N -0.59 4.04 -0.27 1.61 2.02 -0.41 -4.99 118.70 120.11 1nr9 s GLU 155 Ca 0.00 1.02 -0.29 0.00 0.02 0.00 0.00 54.97 55.72 1nr9 s GLU 155 Cb 0.00 -3.75 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 1nr9 s GLU 155 CO 0.00 -0.93 1.54 -0.65 0.02 0.00 0.00 175.26 175.24 1nr9 s GLN 156 N 3.68 3.76 -0.12 1.61 -1.52 -1.26 0.20 119.66 126.01 1nr9 s GLN 156 Ca 0.45 1.47 0.04 0.00 -1.95 0.00 0.00 55.36 55.37 1nr9 s GLN 156 Cb -0.12 -4.01 -0.10 0.00 -0.22 0.00 0.00 33.01 28.56 1nr9 s GLN 156 CO 0.16 -1.33 -0.06 0.54 -0.25 0.00 0.00 175.29 174.35 1nr9 n ARG 157 N 7.69 1.04 -4.44 2.91 1.74 -0.60 -4.97 116.66 120.03 1nr9 n ARG 157 Ca 0.18 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 57.08 1nr9 n ARG 157 Cb 0.46 -1.26 -0.16 0.00 -1.02 0.00 0.00 32.46 30.47 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 -2.26 1.33 -0.05 5.56 -0.21 -1.03 -4.19 119.66 118.81 1nr9 s GLN 158 Ca -0.13 -0.31 -0.06 0.00 0.02 0.00 0.00 55.36 54.87 1nr9 s GLN 158 Cb 0.04 -1.16 0.01 0.00 1.00 0.00 0.00 33.01 32.90 1nr9 s GLN 158 CO 0.35 0.01 0.17 -1.14 -2.12 0.00 0.00 175.29 172.56 1nr9 s GLN 159 N 0.66 0.27 0.00 2.91 2.00 -1.26 -0.57 119.66 123.67 1nr9 s GLN 159 Ca -0.12 0.10 0.00 0.00 -2.00 0.00 0.00 55.36 53.34 1nr9 s GLN 159 Cb -0.14 0.12 0.00 0.00 0.80 0.00 0.00 33.01 33.79 1nr9 s GLN 159 CO 0.02 -0.05 0.00 0.41 -0.50 0.00 0.00 175.29 175.18 1nr9 n GLY 160 N 2.63 1.61 3.70 2.59 0.00 -0.41 -4.69 105.19 110.61 1nr9 n GLY 160 Ca -0.15 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1nr9 n GLY 160 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nr9 s THR 161 N -2.00 4.22 -1.51 2.61 -1.32 -1.26 0.41 115.64 116.79 1nr9 s THR 161 Ca 0.00 -0.61 0.10 0.00 -1.21 0.00 0.00 61.69 59.97 1nr9 s THR 161 Cb 0.00 -2.90 0.20 0.00 -1.51 0.00 0.00 72.50 68.29 1nr9 s THR 161 CO 0.00 0.35 1.20 1.07 -2.21 0.00 0.00 174.62 175.03 1nr9 n THR 162 N 1.29 0.65 0.27 5.08 5.66 0.26 -2.20 114.28 125.29 1nr9 n THR 162 Ca -0.14 0.16 0.14 0.00 -3.05 0.00 0.00 64.05 61.16 1nr9 n THR 162 Cb 0.53 -0.99 0.35 0.00 -1.55 0.00 0.00 70.33 68.67 1nr9 n THR 162 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nr9 h ALA 163 N 2.52 1.00 -1.77 1.79 0.00 -1.78 -3.43 119.26 117.58 1nr9 h ALA 163 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1nr9 h ALA 163 Cb 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 1nr9 h ALA 163 CO 0.00 0.00 0.60 -0.51 0.00 0.00 0.00 179.25 179.34 1nr9 s ASP 164 N -5.90 6.33 0.12 0.00 1.01 -0.93 -5.04 116.67 112.26 1nr9 s ASP 164 Ca 0.05 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 52.94 1nr9 s ASP 164 Cb 0.07 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1nr9 s ASP 164 CO 0.62 -1.27 0.00 -0.38 0.21 0.00 0.00 175.17 174.35 1nr9 n ILE 166 N 6.21 0.83 -3.55 0.77 5.41 0.12 -2.12 119.36 127.03 1nr9 n ILE 166 Ca 0.02 0.27 -0.41 0.00 1.00 0.00 0.00 62.75 63.63 1nr9 n ILE 166 Cb 0.47 -1.36 -0.11 0.00 -0.71 0.00 0.00 39.64 37.94 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 -2.00 3.25 0.76 1.39 3.76 -1.26 -5.07 115.29 116.11 1nr9 s HIS 167 Ca 0.00 -0.91 -0.15 0.00 -0.15 0.00 0.00 55.06 53.85 1nr9 s HIS 167 Cb 0.00 -2.55 0.04 0.00 1.11 0.00 0.00 32.58 31.18 1nr9 s HIS 167 CO 0.00 -0.66 1.12 1.63 -0.85 0.00 0.00 174.74 175.98 1nr9 n LYS 168 N 5.04 0.43 -0.00 1.40 4.76 -1.26 -4.63 118.16 123.90 1nr9 n LYS 168 Ca -0.11 0.21 -0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1nr9 n LYS 168 Cb 0.46 -2.37 -0.00 0.00 -1.84 0.00 0.00 35.03 31.28 1nr9 n LYS 168 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1nr9 h ILE 169 N -0.47 0.00 -0.26 -0.18 2.04 -1.95 0.27 117.51 116.96 1nr9 h ILE 169 Ca -0.47 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.45 1nr9 h ILE 169 Cb 1.32 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 1nr9 h ILE 169 CO 0.47 0.00 -0.21 0.58 0.00 0.00 0.00 178.15 178.99 1nr9 h VAL 170 N -0.00 0.44 -0.80 1.67 2.07 -1.96 -0.23 116.25 117.43 1nr9 h VAL 170 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1nr9 h VAL 170 Cb 0.00 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1nr9 h VAL 170 CO -0.00 0.00 0.45 -0.65 0.02 0.00 0.00 177.57 177.39 1nr9 h PRO 171 N -0.21 1.11 -0.38 1.57 0.11 -1.89 -1.65 132.00 130.65 1nr9 h PRO 171 Ca 0.14 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1nr9 h PRO 171 Cb 0.42 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1nr9 h PRO 171 CO -0.38 0.80 0.17 1.25 -0.21 0.00 0.00 178.00 179.63 1nr9 h LEU 172 N 1.12 0.52 -1.33 2.35 5.85 0.21 -1.68 115.31 122.35 1nr9 h LEU 172 Ca 0.29 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1nr9 h LEU 172 Cb 0.00 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1nr9 h LEU 172 CO -0.05 0.53 -0.30 0.40 -0.34 0.00 0.00 178.44 178.67 1nr9 h ILE 173 N 0.47 0.95 -0.31 4.05 2.04 -0.72 -2.39 117.51 121.61 1nr9 h ILE 173 Ca 0.13 -1.15 -0.17 0.00 1.00 0.00 0.00 64.86 64.66 1nr9 h ILE 173 Cb 0.16 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1nr9 h ILE 173 CO -0.01 0.30 -0.49 0.00 0.00 0.00 0.00 178.15 177.94 1nr9 h ALA 174 N 1.70 0.54 0.00 1.87 0.00 -1.01 -2.18 119.26 120.18 1nr9 h ALA 174 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nr9 h ALA 174 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1nr9 h ALA 174 CO 0.04 0.68 0.00 0.98 0.00 0.00 0.00 179.25 180.95 1nr9 n TYR 175 N -4.02 0.00 0.00 0.00 9.36 -0.66 -2.85 117.16 118.99 1nr9 n TYR 175 Ca -0.03 -0.07 0.00 0.00 3.32 0.00 0.00 57.90 61.12 1nr9 n TYR 175 Cb 0.60 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1nr9 n TYR 175 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1nr9 n SER 177 N 0.73 0.00 0.10 2.98 2.88 -0.82 -3.83 113.62 115.67 1nr9 n SER 177 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1nr9 n SER 177 Cb 0.08 -0.01 0.36 0.00 -0.75 0.00 0.00 64.21 63.90 1nr9 n SER 177 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1nr9 h LYS 178 N 0.00 0.27 0.00 -1.46 1.79 -1.83 -2.64 116.57 112.71 1nr9 h LYS 178 Ca 0.00 -0.07 -0.32 0.00 -2.18 0.00 0.00 60.65 58.08 1nr9 h LYS 178 Cb 0.00 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.56 1nr9 h LYS 178 CO 0.00 0.42 -2.20 1.19 -1.08 0.00 0.00 179.45 177.78 1nr9 n PHE 179 N -4.25 0.00 -4.29 -1.35 3.01 -1.25 -4.85 117.46 104.48 1nr9 n PHE 179 Ca -0.01 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 1nr9 n PHE 179 Cb 0.29 -0.83 -0.16 0.00 -0.01 0.00 0.00 39.48 38.76 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 -2.42 0.92 0.02 1.38 0.40 -1.25 -5.10 117.98 111.93 1nr9 s PHE 180 Ca -0.23 -0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 55.51 1nr9 s PHE 180 Cb 0.07 -0.75 -0.07 0.00 0.51 0.00 0.00 43.02 42.78 1nr9 s PHE 180 CO 0.55 -0.20 1.58 0.99 0.70 0.00 0.00 175.22 178.84 1nr9 s THR 181 N 0.77 3.36 -0.27 0.64 2.01 -1.26 -4.13 115.64 116.76 1nr9 s THR 181 Ca -0.12 0.72 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 1nr9 s THR 181 Cb -0.14 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1nr9 s THR 181 CO 0.01 -0.02 0.36 -0.76 -0.69 0.00 0.00 174.62 173.53 1nr9 s LEU 182 N 2.86 4.04 0.33 4.42 1.43 0.58 -4.92 118.68 127.41 1nr9 s LEU 182 Ca 0.71 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 1nr9 s LEU 182 Cb -0.36 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1nr9 s LEU 182 CO 0.30 -0.17 0.46 -0.54 0.23 0.00 0.00 176.35 176.63 1nr9 s LYS 183 N 2.02 3.16 0.16 1.70 1.02 -1.26 0.53 119.74 127.05 1nr9 s LYS 183 Ca 0.15 -0.98 -0.31 0.00 0.02 0.00 0.00 55.97 54.85 1nr9 s LYS 183 Cb -0.16 -2.83 -0.10 0.00 -0.52 0.00 0.00 37.83 34.23 1nr9 s LYS 183 CO 0.10 0.10 1.64 0.00 -0.92 0.00 0.00 175.35 176.26 1nr9 s ALA 184 N -2.16 3.80 0.00 5.17 0.00 -1.26 -1.93 121.76 125.39 1nr9 s ALA 184 Ca 0.44 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1nr9 s ALA 184 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1nr9 s ALA 184 CO 0.31 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1nr9 n GLY 185 N 3.88 2.66 3.81 0.00 0.00 0.25 -4.31 105.19 111.48 1nr9 n GLY 185 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.58 5.46 0.10 1.61 1.01 -0.81 -4.25 116.67 118.21 1nr9 s ASP 186 Ca 0.00 1.72 0.07 0.00 0.71 0.00 0.00 52.55 55.05 1nr9 s ASP 186 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1nr9 s ASP 186 CO 0.00 -1.39 -0.18 -0.69 0.21 0.00 0.00 175.17 173.13 1nr9 s VAL 187 N -2.79 1.46 -0.04 -1.27 1.01 -0.60 -1.42 120.40 116.75 1nr9 s VAL 187 Ca 0.61 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1nr9 s VAL 187 Cb -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1nr9 s VAL 187 CO 0.48 -0.17 -0.14 0.68 0.00 0.00 0.00 175.10 175.95 1nr9 s VAL 188 N -1.34 1.19 -0.36 2.92 -7.23 -0.71 -0.27 120.40 114.60 1nr9 s VAL 188 Ca 0.04 -0.57 -0.17 0.00 -1.81 0.00 0.00 61.98 59.46 1nr9 s VAL 188 Cb -0.09 -1.04 -0.00 0.00 0.56 0.00 0.00 36.38 35.80 1nr9 s VAL 188 CO 0.04 0.35 0.47 -0.76 -0.31 0.00 0.00 175.10 174.89 1nr9 s LEU 189 N 0.19 4.44 0.00 1.32 1.43 -0.50 -1.94 118.68 123.62 1nr9 s LEU 189 Ca -0.05 -0.17 0.12 0.00 -1.03 0.00 0.00 54.13 53.00 1nr9 s LEU 189 Cb -0.11 -2.51 0.58 0.00 0.03 0.00 0.00 46.19 44.18 1nr9 s LEU 189 CO 0.02 -0.47 1.32 1.07 0.23 0.00 0.00 176.35 178.52 1nr9 n THR 190 N 5.40 0.84 0.00 5.49 5.66 -0.79 -2.38 114.28 128.50 1nr9 n THR 190 Ca -0.06 0.21 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1nr9 n THR 190 Cb 0.49 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 1nr9 n THR 190 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nr9 n GLY 191 N -0.26 2.00 3.20 1.09 0.00 -1.26 -4.83 105.19 105.13 1nr9 n GLY 191 Ca 0.05 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.94 1.41 0.46 2.61 2.01 -1.26 -4.09 115.64 114.82 1nr9 s THR 192 Ca 0.00 -1.12 -0.08 0.00 0.31 0.00 0.00 61.69 60.80 1nr9 s THR 192 Cb 0.00 -1.25 0.11 0.00 0.01 0.00 0.00 72.50 71.37 1nr9 s THR 192 CO 0.00 0.10 0.49 -2.65 -0.69 0.00 0.00 174.62 171.86 1nr9 n PRO 193 N 1.83 -1.28 -2.11 4.92 -0.02 -1.26 -4.38 135.00 132.70 1nr9 n PRO 193 Ca -0.18 -0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 60.22 1nr9 n PRO 193 Cb 0.54 -0.62 -0.01 0.00 -0.02 0.00 0.00 33.50 33.39 1nr9 n PRO 193 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1nr9 s ASP 194 N -2.83 6.34 0.00 2.55 -4.77 -1.26 -4.38 116.67 112.32 1nr9 s ASP 194 Ca 0.30 1.52 0.00 0.00 -3.30 0.00 0.00 52.55 51.07 1nr9 s ASP 194 Cb -0.02 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 39.32 1nr9 s ASP 194 CO 0.22 -0.78 0.00 0.61 0.70 0.00 0.00 175.17 175.91 1nr9 n GLY 195 N -2.07 1.62 1.58 2.12 0.00 -1.26 -4.28 105.19 102.91 1nr9 n GLY 195 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -4.44 1.61 0.31 -1.26 -4.71 118.33 109.84 1nr9 n VAL 196 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1nr9 n VAL 196 Cb 0.00 -0.24 -0.06 0.00 -0.91 0.00 0.00 33.84 32.64 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 3.35 3.50 3.88 2.92 0.00 -1.24 -4.95 105.19 112.65 1nr9 n GLY 197 Ca 0.28 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.27 3.74 -0.07 1.61 0.04 -1.26 -0.98 135.00 134.81 1nr9 s PRO 198 Ca 0.12 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.68 1nr9 s PRO 198 Cb 0.01 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1nr9 s PRO 198 CO 0.09 -0.12 -0.18 -0.51 0.04 0.00 0.00 177.00 176.31 1nr9 s LEU 199 N -4.12 1.89 0.06 -3.56 1.43 0.21 -4.82 118.68 109.76 1nr9 s LEU 199 Ca 0.51 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1nr9 s LEU 199 Cb -0.10 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1nr9 s LEU 199 CO 0.35 0.12 -0.12 0.00 0.23 0.00 0.00 176.35 176.93 1nr9 s GLN 200 N 0.31 0.74 -0.08 1.70 -2.07 -1.26 -4.51 119.66 114.49 1nr9 s GLN 200 Ca -0.11 -0.88 -0.41 0.00 -1.82 0.00 0.00 55.36 52.13 1nr9 s GLN 200 Cb -0.15 -0.68 -0.20 0.00 -1.09 0.00 0.00 33.01 30.89 1nr9 s GLN 200 CO 0.05 0.15 1.15 0.45 -1.32 0.00 0.00 175.29 175.76 1nr9 n SER 201 N 1.38 0.19 0.00 12.60 2.88 -1.26 -1.20 113.62 128.20 1nr9 n SER 201 Ca -0.21 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1nr9 n SER 201 Cb 0.54 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1nr9 n SER 201 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nr9 n GLY 202 N 1.89 3.35 3.74 0.46 0.00 0.86 -4.98 105.19 110.51 1nr9 n GLY 202 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1nr9 n GLY 202 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nr9 s ASP 203 N -0.81 4.86 -0.27 1.61 1.01 -0.34 -4.63 116.67 118.10 1nr9 s ASP 203 Ca 0.00 2.59 0.03 0.00 0.71 0.00 0.00 52.55 55.88 1nr9 s ASP 203 Cb 0.00 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.38 1nr9 s ASP 203 CO 0.00 -1.83 -0.09 -0.70 0.21 0.00 0.00 175.17 172.76 1nr9 s GLU 204 N -3.29 2.13 0.11 8.23 2.12 -1.26 -0.79 118.70 125.95 1nr9 s GLU 204 Ca 0.80 -1.39 0.04 0.00 0.36 0.00 0.00 54.97 54.78 1nr9 s GLU 204 Cb -0.36 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 1nr9 s GLU 204 CO 0.39 -0.61 0.08 -0.48 -0.54 0.00 0.00 175.26 174.10 1nr9 s LEU 205 N 1.09 3.74 -0.04 2.70 0.05 0.39 -0.44 118.68 126.16 1nr9 s LEU 205 Ca -0.07 -0.08 0.02 0.00 0.05 0.00 0.00 54.13 54.05 1nr9 s LEU 205 Cb -0.20 -2.41 0.01 0.00 -2.05 0.00 0.00 46.19 41.55 1nr9 s LEU 205 CO -0.05 0.14 -0.08 0.42 -0.55 0.00 0.00 176.35 176.23 1nr9 s THR 206 N -1.48 0.78 0.13 5.48 -4.23 -0.64 -0.64 115.64 115.04 1nr9 s THR 206 Ca 0.29 -0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.59 1nr9 s THR 206 Cb -0.11 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 1nr9 s THR 206 CO 0.22 0.27 -0.17 0.54 -0.54 0.00 0.00 174.62 174.93 1nr9 s VAL 207 N 0.58 2.89 0.01 2.29 0.11 0.02 -1.36 120.40 124.94 1nr9 s VAL 207 Ca -0.10 -1.53 -0.06 0.00 -2.93 0.00 0.00 61.98 57.36 1nr9 s VAL 207 Cb -0.13 -2.34 -0.00 0.00 -1.53 0.00 0.00 36.38 32.38 1nr9 s VAL 207 CO 0.01 0.06 0.11 -0.89 -3.33 0.00 0.00 175.10 171.07 1nr9 s THR 208 N -1.24 0.09 -0.27 5.04 2.01 -0.68 -1.68 115.64 118.92 1nr9 s THR 208 Ca 0.19 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1nr9 s THR 208 Cb -0.10 -0.45 0.16 0.00 0.01 0.00 0.00 72.50 72.11 1nr9 s THR 208 CO 0.11 -0.42 0.45 0.72 -0.69 0.00 0.00 174.62 174.79 1nr9 s PHE 209 N -1.51 -1.12 -0.48 4.92 -0.12 0.11 -1.52 117.98 118.27 1nr9 s PHE 209 Ca -0.14 0.98 -0.36 0.00 -0.05 0.00 0.00 56.93 57.36 1nr9 s PHE 209 Cb -0.07 0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.51 1nr9 s PHE 209 CO 0.01 -0.83 0.66 -3.47 -0.05 0.00 0.00 175.22 171.54 1nr9 n ASP 210 N 5.38 -5.57 0.00 1.98 2.03 -0.86 -2.36 116.55 117.16 1nr9 n ASP 210 Ca -0.02 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1nr9 n ASP 210 Cb 0.50 -1.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.08 1nr9 n ASP 210 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nr9 n GLY 211 N -0.30 2.74 3.58 0.27 0.00 -1.26 -4.98 105.19 105.24 1nr9 n GLY 211 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.64 3.22 0.41 1.61 3.76 -0.99 -5.07 115.29 117.59 1nr9 s HIS 212 Ca 0.00 0.05 0.07 0.00 -0.15 0.00 0.00 55.06 55.03 1nr9 s HIS 212 Cb 0.00 -2.41 -0.07 0.00 1.11 0.00 0.00 32.58 31.20 1nr9 s HIS 212 CO 0.00 -0.21 0.04 -1.54 -0.85 0.00 0.00 174.74 172.18 1nr9 s SER 213 N 1.75 3.99 -0.29 1.40 1.04 -1.26 -0.71 113.70 119.61 1nr9 s SER 213 Ca 0.07 -1.32 -0.24 0.00 0.48 0.00 0.00 55.95 54.94 1nr9 s SER 213 Cb -0.16 -0.39 0.15 0.00 0.10 0.00 0.00 66.02 65.71 1nr9 s SER 213 CO 0.11 -0.48 1.15 -0.22 0.98 0.00 0.00 173.24 174.79 1nr9 s LEU 214 N -3.75 -0.33 0.02 2.42 0.20 -0.68 -4.99 118.68 111.58 1nr9 s LEU 214 Ca 0.36 0.61 0.06 0.00 0.69 0.00 0.00 54.13 55.85 1nr9 s LEU 214 Cb 0.09 1.61 -0.02 0.00 -0.43 0.00 0.00 46.19 47.44 1nr9 s LEU 214 CO 0.19 -0.10 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.06 1nr9 s THR 215 N 0.31 1.52 0.27 3.68 2.01 -1.26 -0.80 115.64 121.37 1nr9 s THR 215 Ca 0.03 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 1nr9 s THR 215 Cb -0.05 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.17 1nr9 s THR 215 CO -0.10 0.27 0.40 0.41 -0.69 0.00 0.00 174.62 174.91 1nr9 n THR 216 N 2.17 0.00 -4.21 -0.82 -1.04 0.19 -4.92 114.28 105.65 1nr9 n THR 216 Ca -0.16 -1.32 -0.12 0.00 -2.04 0.00 0.00 64.05 60.41 1nr9 n THR 216 Cb 0.54 0.84 -0.10 0.00 -1.82 0.00 0.00 70.33 69.78 1nr9 n THR 216 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nr9 s ARG 217 N -2.57 1.03 -0.12 -2.82 1.70 -1.26 -0.46 118.95 114.44 1nr9 s ARG 217 Ca 0.21 -1.48 -0.07 0.00 -0.47 0.00 0.00 55.73 53.92 1nr9 s ARG 217 Cb -0.01 -0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.18 1nr9 s ARG 217 CO 0.15 -0.14 0.13 0.08 -1.08 0.00 0.00 175.30 174.45 1nr9 s VAL 218 N -3.73 5.45 -2.55 4.99 1.01 0.03 -0.99 120.40 124.61 1nr9 s VAL 218 Ca 0.22 0.19 0.28 0.00 0.00 0.00 0.00 61.98 62.66 1nr9 s VAL 218 Cb 0.06 -3.38 0.52 0.00 0.00 0.00 0.00 36.38 33.58 1nr9 s VAL 218 CO 0.02 0.61 1.70 0.18 0.00 0.00 0.00 175.10 177.61