#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw9 n GLY 5 N 0.00 5.98 0.33 0.55 0.00 -1.26 -4.92 105.19 105.86 1rw9 n GLY 5 Ca 0.00 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.26 1rw9 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw9 h ALA 6 N 1.00 1.40 -0.21 4.61 0.00 -2.00 -1.20 119.26 122.86 1rw9 h ALA 6 Ca 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1rw9 h ALA 6 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rw9 h ALA 6 CO 0.00 -0.05 -0.65 0.00 0.00 0.00 0.00 179.25 178.55 1rw9 h ALA 7 N 1.58 0.44 -0.33 0.00 0.00 -1.99 -0.58 119.26 118.38 1rw9 h ALA 7 Ca 0.50 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1rw9 h ALA 7 Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1rw9 h ALA 7 CO -0.36 0.69 0.05 0.93 0.00 0.00 0.00 179.25 180.56 1rw9 h GLU 8 N 0.57 0.54 -0.68 0.00 3.07 -1.70 -1.09 114.58 115.30 1rw9 h GLU 8 Ca -0.01 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 58.65 1rw9 h GLU 8 Cb 1.26 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 1rw9 h GLU 8 CO 0.14 0.63 0.24 0.74 -1.40 0.00 0.00 179.01 179.35 1rw9 h PHE 9 N 0.37 1.07 -0.70 4.33 -1.00 -1.12 -0.79 116.94 119.10 1rw9 h PHE 9 Ca 0.10 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1rw9 h PHE 9 Cb 0.35 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 1rw9 h PHE 9 CO 0.02 0.85 0.22 0.00 -1.61 0.00 0.00 178.31 177.79 1rw9 h ALA 10 N 1.10 0.92 -0.55 2.45 0.00 -0.96 0.17 119.26 122.39 1rw9 h ALA 10 Ca 0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1rw9 h ALA 10 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1rw9 h ALA 10 CO -0.01 0.61 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 1rw9 h ALA 11 N 1.10 0.77 -0.39 0.00 0.00 -0.96 -0.57 119.26 119.21 1rw9 h ALA 11 Ca 0.23 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1rw9 h ALA 11 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1rw9 h ALA 11 CO -0.01 0.67 0.14 -0.07 0.00 0.00 0.00 179.25 179.99 1rw9 h LEU 12 N 0.92 0.55 -0.44 0.00 3.38 -0.83 -0.46 115.31 118.43 1rw9 h LEU 12 Ca 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rw9 h LEU 12 Cb 0.67 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1rw9 h LEU 12 CO 0.05 0.58 0.27 0.03 0.09 0.00 0.00 178.44 179.46 1rw9 h ARG 13 N 0.48 0.59 -0.71 1.13 3.08 -0.77 -0.70 114.38 117.47 1rw9 h ARG 13 Ca 0.13 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1rw9 h ARG 13 Cb 0.22 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1rw9 h ARG 13 CO -0.01 0.42 0.38 -0.91 -1.07 0.00 0.00 179.97 178.79 1rw9 h ASN 14 N 0.59 0.88 -0.65 7.04 2.35 -0.87 -1.08 115.58 123.83 1rw9 h ASN 14 Ca 0.16 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1rw9 h ASN 14 Cb -0.02 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1rw9 h ASN 14 CO -0.03 0.71 0.10 -0.09 -1.65 0.00 0.00 177.43 176.47 1rw9 h ARG 15 N 0.99 1.09 -0.26 0.81 2.43 -0.65 0.09 114.38 118.88 1rw9 h ARG 15 Ca 0.25 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1rw9 h ARG 15 Cb 0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1rw9 h ARG 15 CO -0.04 1.00 0.09 2.35 -1.51 0.00 0.00 179.97 181.86 1rw9 h TRP 16 N 1.00 0.41 -0.78 2.20 2.91 -0.61 0.26 115.95 121.34 1rw9 h TRP 16 Ca 0.20 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.16 1rw9 h TRP 16 Cb 0.45 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 28.94 1rw9 h TRP 16 CO 0.03 0.44 0.43 0.28 -1.03 0.00 0.00 178.44 178.60 1rw9 h VAL 17 N 0.25 1.23 -0.42 2.65 2.07 -1.06 -0.78 116.25 120.21 1rw9 h VAL 17 Ca 0.08 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.08 1rw9 h VAL 17 Cb 0.22 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 1rw9 h VAL 17 CO -0.00 0.26 0.12 0.44 0.02 0.00 0.00 177.57 178.41 1rw9 h ASP 18 N 1.09 0.09 -0.23 0.57 3.32 -0.62 -0.80 116.42 119.84 1rw9 h ASP 18 Ca 0.28 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1rw9 h ASP 18 Cb 0.03 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1rw9 h ASP 18 CO -0.04 0.09 0.08 -0.61 -1.72 0.00 0.00 179.24 177.04 1rw9 h GLN 19 N 0.27 0.34 0.00 3.56 4.15 -0.27 -0.48 115.11 122.68 1rw9 h GLN 19 Ca 0.20 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1rw9 h GLN 19 Cb 0.21 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1rw9 h GLN 19 CO -0.23 0.40 -0.37 0.44 -1.93 0.00 0.00 178.83 177.15 1rw9 n ILE 20 N -4.79 0.43 -0.06 2.39 -5.35 -0.36 -3.97 119.36 107.65 1rw9 n ILE 20 Ca -0.03 -0.26 -0.02 0.00 -0.27 0.00 0.00 62.75 62.16 1rw9 n ILE 20 Cb 0.13 -0.30 -0.14 0.00 -1.74 0.00 0.00 39.64 37.59 1rw9 n ILE 20 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1rw9 n THR 21 N -2.14 0.74 -1.53 7.28 -2.24 -0.33 -4.73 114.28 111.34 1rw9 n THR 21 Ca 0.04 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 1rw9 n THR 21 Cb 0.43 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 1rw9 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rw9 n GLY 22 N 1.73 1.16 0.27 3.38 0.00 -0.19 -4.44 105.19 107.09 1rw9 n GLY 22 Ca -0.19 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.55 1rw9 n GLY 22 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rw9 h ARG 23 N 0.00 0.00 -0.01 1.61 0.11 -1.83 -1.33 114.38 112.93 1rw9 h ARG 23 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1rw9 h ARG 23 Cb 0.93 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.01 1rw9 h ARG 23 CO 0.40 0.07 -0.20 0.27 0.10 0.00 0.00 179.97 180.61 1rw9 n ASN 24 N -4.04 1.27 -0.08 0.08 6.94 -1.26 -4.37 115.26 113.81 1rw9 n ASN 24 Ca -0.03 -1.12 0.01 0.00 -0.02 0.00 0.00 54.58 53.42 1rw9 n ASN 24 Cb 0.16 0.12 0.02 0.00 -2.36 0.00 0.00 39.78 37.71 1rw9 n ASN 24 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1rw9 n VAL 25 N -0.34 0.57 -2.33 3.53 0.24 -0.51 -5.04 118.33 114.45 1rw9 n VAL 25 Ca 0.14 -0.61 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 1rw9 n VAL 25 Cb 0.37 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 1rw9 n VAL 25 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rw9 s ILE 26 N -0.69 3.82 -0.27 1.34 1.01 -1.16 -4.90 121.20 120.36 1rw9 s ILE 26 Ca 0.04 1.28 -0.14 0.00 0.00 0.00 0.00 60.65 61.83 1rw9 s ILE 26 Cb 0.03 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1rw9 s ILE 26 CO 0.00 0.07 0.32 -1.10 0.00 0.00 0.00 174.94 174.23 1rw9 s GLN 27 N 1.44 3.99 0.21 2.79 -0.21 -1.26 -5.04 119.66 121.58 1rw9 s GLN 27 Ca 0.61 -0.07 -0.32 0.00 0.02 0.00 0.00 55.36 55.59 1rw9 s GLN 27 Cb -0.31 -3.66 -0.12 0.00 1.00 0.00 0.00 33.01 29.92 1rw9 s GLN 27 CO 0.28 -0.26 1.68 0.00 -2.12 0.00 0.00 175.29 174.88 1rw9 n ALA 28 N 5.26 2.56 -0.95 6.09 0.00 -1.26 -1.84 120.51 130.36 1rw9 n ALA 28 Ca -0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1rw9 n ALA 28 Cb 0.51 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1rw9 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rw9 n GLY 29 N 3.68 0.53 3.71 0.00 0.00 -1.26 -4.99 105.19 106.86 1rw9 n GLY 29 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1rw9 n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rw9 s ASP 30 N -2.31 7.29 0.30 1.61 -1.08 -0.77 -4.93 116.67 116.79 1rw9 s ASP 30 Ca 0.00 1.77 0.09 0.00 -0.52 0.00 0.00 52.55 53.89 1rw9 s ASP 30 Cb 0.00 -2.57 0.47 0.00 -1.46 0.00 0.00 42.92 39.36 1rw9 s ASP 30 CO 0.00 -0.32 1.69 1.55 0.52 0.00 0.00 175.17 178.61 1rw9 h PRO 31 N 6.76 0.09 -0.09 4.34 0.13 -1.94 -1.91 132.00 139.38 1rw9 h PRO 31 Ca -0.41 -0.05 -0.23 0.00 -0.87 0.00 0.00 66.00 64.44 1rw9 h PRO 31 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1rw9 h PRO 31 CO 0.77 0.57 -0.85 -0.44 -0.23 0.00 0.00 178.00 177.81 1rw9 h ASP 32 N 0.07 0.84 -0.68 1.44 3.32 -1.97 -1.49 116.42 117.95 1rw9 h ASP 32 Ca 0.00 -0.59 0.01 0.00 0.02 0.00 0.00 57.03 56.47 1rw9 h ASP 32 Cb 0.90 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 1rw9 h ASP 32 CO 0.07 1.39 0.44 -0.26 -1.72 0.00 0.00 179.24 179.16 1rw9 h PHE 33 N 0.45 0.84 -0.86 4.55 -1.00 -1.86 -0.71 116.94 118.36 1rw9 h PHE 33 Ca -0.07 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1rw9 h PHE 33 Cb 1.48 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.72 1rw9 h PHE 33 CO 0.08 0.52 0.50 0.00 -1.61 0.00 0.00 178.31 177.80 1rw9 h ALA 34 N 1.26 1.27 -0.53 2.45 0.00 -1.23 -1.06 119.26 121.41 1rw9 h ALA 34 Ca 0.26 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1rw9 h ALA 34 Cb -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1rw9 h ALA 34 CO -0.07 0.62 0.01 0.87 0.00 0.00 0.00 179.25 180.68 1rw9 h LYS 35 N 1.18 0.93 -0.84 0.00 1.57 -0.97 -0.37 116.57 118.08 1rw9 h LYS 35 Ca 0.31 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1rw9 h LYS 35 Cb -0.02 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1rw9 h LYS 35 CO -0.05 0.94 0.54 0.00 -0.57 0.00 0.00 179.45 180.30 1rw9 h ALA 36 N 0.96 1.07 -0.36 3.86 0.00 -0.65 -1.15 119.26 122.99 1rw9 h ALA 36 Ca 0.15 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1rw9 h ALA 36 Cb 0.51 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1rw9 h ALA 36 CO 0.02 0.50 -0.25 0.82 0.00 0.00 0.00 179.25 180.35 1rw9 h ILE 37 N 1.15 1.27 -0.73 0.00 1.08 -0.93 -1.39 117.51 117.96 1rw9 h ILE 37 Ca 0.31 -1.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 1rw9 h ILE 37 Cb -0.09 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1rw9 h ILE 37 CO -0.06 0.45 0.41 0.74 -0.69 0.00 0.00 178.15 178.99 1rw9 h THR 38 N 0.63 1.22 -0.54 -0.27 2.02 -0.62 0.32 112.91 115.67 1rw9 h THR 38 Ca 0.08 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 1rw9 h THR 38 Cb 0.75 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1rw9 h THR 38 CO 0.06 0.24 -0.06 0.00 0.37 0.00 0.00 175.52 176.13 1rw9 h ALA 39 N 1.21 0.73 -0.41 6.16 0.00 -0.96 0.13 119.26 126.12 1rw9 h ALA 39 Ca 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1rw9 h ALA 39 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1rw9 h ALA 39 CO -0.04 0.61 0.27 1.25 0.00 0.00 0.00 179.25 181.33 1rw9 h LEU 40 N 0.86 0.48 -0.70 0.00 5.85 -0.85 -2.30 115.31 118.66 1rw9 h LEU 40 Ca 0.15 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1rw9 h LEU 40 Cb 0.61 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1rw9 h LEU 40 CO 0.04 0.36 0.34 0.78 -0.34 0.00 0.00 178.44 179.62 1rw9 h ASN 41 N 0.56 0.91 -0.57 1.25 2.35 0.06 -1.93 115.58 118.21 1rw9 h ASN 41 Ca 0.15 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 1rw9 h ASN 41 Cb -0.05 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1rw9 h ASN 41 CO -0.03 0.78 -0.02 0.78 -1.65 0.00 0.00 177.43 177.29 1rw9 h ASN 42 N 0.97 1.01 -0.34 5.81 2.35 -0.75 -1.02 115.58 123.61 1rw9 h ASN 42 Ca 0.24 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1rw9 h ASN 42 Cb 0.11 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1rw9 h ASN 42 CO -0.03 1.07 0.03 0.50 -1.65 0.00 0.00 177.43 177.35 1rw9 h LYS 43 N 0.94 0.58 -0.40 0.81 1.63 -1.33 -1.37 116.57 117.43 1rw9 h LYS 43 Ca 0.16 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1rw9 h LYS 43 Cb 0.57 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 1rw9 h LYS 43 CO 0.03 0.68 0.25 0.00 -3.45 0.00 0.00 179.45 176.97 1rw9 h ALA 44 N 0.88 0.50 -0.88 5.00 0.00 -1.17 -1.85 119.26 121.73 1rw9 h ALA 44 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rw9 h ALA 44 Cb 0.40 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1rw9 h ALA 44 CO 0.01 -0.02 0.46 0.00 0.00 0.00 0.00 179.25 179.70 1rw9 h ALA 45 N 1.13 1.14 -0.25 0.00 0.00 -1.08 -0.48 119.26 119.71 1rw9 h ALA 45 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rw9 h ALA 45 Cb -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1rw9 h ALA 45 CO -0.03 0.67 0.16 0.22 0.00 0.00 0.00 179.25 180.27 1rw9 h ASP 46 N 1.25 0.30 -0.42 0.00 1.82 -0.98 -1.30 116.42 117.08 1rw9 h ASP 46 Ca 0.31 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1rw9 h ASP 46 Cb 0.07 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 1rw9 h ASP 46 CO -0.05 0.24 0.25 0.28 -1.61 0.00 0.00 179.24 178.35 1rw9 h SER 47 N 0.33 0.52 -0.44 2.28 0.02 -1.04 -2.66 113.55 112.56 1rw9 h SER 47 Ca 0.09 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1rw9 h SER 47 Cb -0.01 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1rw9 h SER 47 CO -0.02 0.43 0.24 -0.07 -1.14 0.00 0.00 176.83 176.28 1rw9 h LEU 48 N 0.56 0.57 -1.92 5.07 3.38 -0.88 -1.25 115.31 120.84 1rw9 h LEU 48 Ca 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1rw9 h LEU 48 Cb 0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1rw9 h LEU 48 CO -0.03 0.48 -0.05 0.00 0.09 0.00 0.00 178.44 178.93 1rw9 h ALA 49 N 1.62 1.07 -0.28 1.53 0.00 -0.90 -2.35 119.26 119.94 1rw9 h ALA 49 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rw9 h ALA 49 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rw9 h ALA 49 CO -0.03 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.92 1rw9 n LYS 50 N -3.25 2.44 -1.80 0.00 5.02 -0.50 -4.98 118.16 115.10 1rw9 n LYS 50 Ca -0.01 -2.16 -0.42 0.00 -2.02 0.00 0.00 58.31 53.70 1rw9 n LYS 50 Cb 0.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1rw9 n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rw9 s LEU 51 N -1.64 4.36 -0.32 -0.35 1.43 -0.89 -0.40 118.68 120.86 1rw9 s LEU 51 Ca 0.36 2.87 -0.29 0.00 -1.03 0.00 0.00 54.13 56.03 1rw9 s LEU 51 Cb 0.22 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.84 1rw9 s LEU 51 CO 0.31 -0.91 1.11 -0.62 0.23 0.00 0.00 176.35 176.48 1rw9 s ASP 52 N 0.76 6.88 0.00 2.29 3.68 0.30 -4.66 116.67 125.92 1rw9 s ASP 52 Ca 0.67 1.05 0.23 0.00 2.13 0.00 0.00 52.55 56.63 1rw9 s ASP 52 Cb -0.47 -2.54 0.02 0.00 -1.45 0.00 0.00 42.92 38.47 1rw9 s ASP 52 CO 0.41 -0.92 1.09 0.55 0.13 0.00 0.00 175.17 176.42 1rw9 n VAL 53 N 5.96 0.00 -2.00 1.11 3.14 -1.26 -4.90 118.33 120.38 1rw9 n VAL 53 Ca 0.12 -0.13 -0.41 0.00 -2.96 0.00 0.00 64.34 60.96 1rw9 n VAL 53 Cb 0.47 1.01 -0.02 0.00 -1.06 0.00 0.00 33.84 34.25 1rw9 n VAL 53 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1rw9 s LYS 54 N -2.71 4.27 0.38 1.45 -2.85 -1.26 -4.97 119.74 114.05 1rw9 s LYS 54 Ca 0.15 2.34 -0.28 0.00 -1.00 0.00 0.00 55.97 57.18 1rw9 s LYS 54 Cb 0.17 -3.05 -0.11 0.00 -2.06 0.00 0.00 37.83 32.78 1rw9 s LYS 54 CO 0.69 -0.34 1.43 0.36 0.10 0.00 0.00 175.35 177.59 1rw9 n LYS 55 N 1.14 2.49 -3.73 1.78 -0.00 -1.26 -2.67 118.16 115.90 1rw9 n LYS 55 Ca 0.02 0.87 -0.26 0.00 -0.00 0.00 0.00 58.31 58.94 1rw9 n LYS 55 Cb 0.41 -2.59 0.06 0.00 -0.00 0.00 0.00 35.03 32.90 1rw9 n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rw9 n GLY 56 N 0.54 -0.50 3.74 2.58 0.00 -1.26 -4.92 105.19 105.37 1rw9 n GLY 56 Ca 0.03 0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1rw9 n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rw9 s ARG 57 N -6.37 2.81 0.00 1.61 1.70 -1.09 -4.94 118.95 112.67 1rw9 s ARG 57 Ca 0.56 1.96 0.09 0.00 -0.47 0.00 0.00 55.73 57.86 1rw9 s ARG 57 Cb -0.26 -1.92 0.06 0.00 -0.57 0.00 0.00 34.95 32.25 1rw9 s ARG 57 CO 0.78 -1.36 0.74 0.25 -1.08 0.00 0.00 175.30 174.62 1rw9 n THR 58 N -1.66 0.00 -4.20 4.99 -2.24 -1.26 -4.99 114.28 104.91 1rw9 n THR 58 Ca 0.14 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 1rw9 n THR 58 Cb 0.49 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.78 1rw9 n THR 58 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rw9 s SER 59 N -0.80 1.00 -0.11 3.42 1.04 -1.26 -4.66 113.70 112.32 1rw9 s SER 59 Ca 0.10 -1.14 -0.08 0.00 0.48 0.00 0.00 55.95 55.30 1rw9 s SER 59 Cb 0.07 0.15 -0.27 0.00 0.10 0.00 0.00 66.02 66.07 1rw9 s SER 59 CO 0.13 -0.58 0.43 0.58 0.98 0.00 0.00 173.24 174.77 1rw9 h VAL 60 N 2.79 0.70 -3.88 5.02 2.07 -1.92 -3.43 116.25 117.60 1rw9 h VAL 60 Ca -0.36 -2.37 -0.68 0.00 0.82 0.00 0.00 66.70 64.10 1rw9 h VAL 60 Cb 1.19 2.56 -0.24 0.00 -1.52 0.00 0.00 31.29 33.28 1rw9 h VAL 60 CO 0.62 0.88 -0.77 -0.36 0.02 0.00 0.00 177.57 177.96 1rw9 s PHE 61 N -2.56 2.72 0.22 1.57 0.40 -1.26 -0.54 117.98 118.53 1rw9 s PHE 61 Ca -0.21 -0.27 0.35 0.00 -0.60 0.00 0.00 56.93 56.20 1rw9 s PHE 61 Cb 0.06 -1.67 1.76 0.00 0.51 0.00 0.00 43.02 43.68 1rw9 s PHE 61 CO 0.78 0.10 2.05 1.79 0.70 0.00 0.00 175.22 180.64 1rw9 h THR 62 N 4.58 0.00 -0.29 0.64 1.35 -0.99 -2.57 112.91 115.63 1rw9 h THR 62 Ca -0.42 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1rw9 h THR 62 Cb 1.17 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1rw9 h THR 62 CO 0.51 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.88 1rw9 n ASP 63 N -2.80 3.16 -3.81 5.36 5.75 -1.26 -4.91 116.55 118.04 1rw9 n ASP 63 Ca -0.01 -2.35 -0.26 0.00 -0.01 0.00 0.00 54.79 52.16 1rw9 n ASP 63 Cb 0.13 -0.32 -0.17 0.00 -1.03 0.00 0.00 41.12 39.73 1rw9 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1rw9 s LEU 64 N -1.62 1.06 -0.11 -2.12 1.43 -0.97 -5.10 118.68 111.24 1rw9 s LEU 64 Ca 0.28 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.71 1rw9 s LEU 64 Cb 0.19 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 1rw9 s LEU 64 CO 0.12 -0.21 0.70 -0.55 0.23 0.00 0.00 176.35 176.64 1rw9 s SER 65 N 1.83 6.90 0.00 2.29 0.15 -1.26 -4.48 113.70 119.14 1rw9 s SER 65 Ca 0.02 1.09 0.13 0.00 0.70 0.00 0.00 55.95 57.89 1rw9 s SER 65 Cb -0.14 -2.40 0.57 0.00 -1.71 0.00 0.00 66.02 62.33 1rw9 s SER 65 CO -0.07 -0.19 1.38 0.18 1.20 0.00 0.00 173.24 175.73 1rw9 n LEU 66 N 4.29 0.00 -0.42 3.45 4.77 -1.26 -2.16 117.00 125.67 1rw9 n LEU 66 Ca -0.01 0.43 0.14 0.00 -0.03 0.00 0.00 56.01 56.55 1rw9 n LEU 66 Cb 0.51 -0.43 0.49 0.00 -2.33 0.00 0.00 43.42 41.65 1rw9 n LEU 66 CO 0.46 -0.25 0.82 0.00 -1.33 0.00 0.00 177.39 177.09 1rw9 n ALA 67 N -1.43 2.70 -3.79 -1.18 0.00 -1.26 -4.69 120.51 110.86 1rw9 n ALA 67 Ca 0.04 -0.43 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 1rw9 n ALA 67 Cb 0.13 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.28 1rw9 n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rw9 s LYS 68 N -2.12 2.99 0.41 0.00 1.02 -0.92 -5.01 119.74 116.10 1rw9 s LYS 68 Ca 0.35 -0.86 0.08 0.00 0.02 0.00 0.00 55.97 55.55 1rw9 s LYS 68 Cb 0.21 -2.88 0.85 0.00 -0.52 0.00 0.00 37.83 35.48 1rw9 s LYS 68 CO 0.38 -0.30 2.02 0.38 -0.92 0.00 0.00 175.35 176.91 1rw9 h ASP 69 N 8.01 0.41 0.12 2.83 3.04 -1.83 -0.38 116.42 128.61 1rw9 h ASP 69 Ca -0.38 -0.03 -0.12 0.00 -3.24 0.00 0.00 57.03 53.26 1rw9 h ASP 69 Cb 1.13 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 39.30 1rw9 h ASP 69 CO 0.59 0.35 -0.43 0.00 -2.04 0.00 0.00 179.24 177.72 1rw9 h ALA 70 N 1.72 0.96 0.00 4.15 0.00 -1.95 -1.86 119.26 122.28 1rw9 h ALA 70 Ca 0.12 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1rw9 h ALA 70 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1rw9 h ALA 70 CO -0.02 0.63 -0.68 0.93 0.00 0.00 0.00 179.25 180.11 1rw9 h GLU 71 N 0.32 0.00 -0.26 0.00 5.08 -1.36 -1.92 114.58 116.44 1rw9 h GLU 71 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1rw9 h GLU 71 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1rw9 h GLU 71 CO 0.07 0.68 0.13 1.98 -1.00 0.00 0.00 179.01 180.88 1rw9 h MET 72 N 0.00 0.36 -0.08 2.33 4.05 -1.00 -0.12 114.93 120.47 1rw9 h MET 72 Ca -0.01 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1rw9 h MET 72 Cb 1.37 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 32.07 1rw9 h MET 72 CO 0.09 0.35 -0.11 0.28 0.23 0.00 0.00 176.91 177.75 1rw9 h VAL 73 N 0.29 0.71 -0.40 -5.77 2.07 -1.13 -2.28 116.25 109.73 1rw9 h VAL 73 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1rw9 h VAL 73 Cb 0.10 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1rw9 h VAL 73 CO -0.01 0.00 0.16 0.74 0.02 0.00 0.00 177.57 178.48 1rw9 h THR 74 N -0.14 1.16 -0.30 2.57 2.02 -1.23 0.62 112.91 117.61 1rw9 h THR 74 Ca 0.07 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 66.83 1rw9 h THR 74 Cb 0.24 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1rw9 h THR 74 CO -0.17 0.19 -0.10 0.74 0.37 0.00 0.00 175.52 176.55 1rw9 h THR 75 N 0.57 0.66 -0.56 3.16 2.02 -0.58 -0.71 112.91 117.47 1rw9 h THR 75 Ca 0.14 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.21 1rw9 h THR 75 Cb 0.12 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1rw9 h THR 75 CO -0.01 0.00 -0.10 1.88 0.37 0.00 0.00 175.52 177.66 1rw9 h TYR 76 N -0.03 1.17 -0.01 3.16 -1.99 -0.67 -2.16 116.97 116.45 1rw9 h TYR 76 Ca 0.15 -0.24 -0.12 0.00 2.00 0.00 0.00 58.73 60.52 1rw9 h TYR 76 Cb 0.25 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 1rw9 h TYR 76 CO -0.30 1.07 -0.54 1.79 -0.00 0.00 0.00 178.16 180.18 1rw9 h THR 77 N 0.94 1.39 -0.46 -2.88 1.35 -0.76 -0.43 112.91 112.05 1rw9 h THR 77 Ca 0.15 -1.86 -0.10 0.00 -0.55 0.00 0.00 66.41 64.05 1rw9 h THR 77 Cb 0.67 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 1rw9 h THR 77 CO 0.05 0.53 -0.10 0.03 -0.25 0.00 0.00 175.52 175.78 1rw9 h ARG 78 N 0.01 0.84 -0.45 4.72 3.08 -1.03 -0.57 114.38 120.98 1rw9 h ARG 78 Ca -0.00 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.64 1rw9 h ARG 78 Cb 0.96 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1rw9 h ARG 78 CO 0.07 0.90 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.61 1rw9 h LEU 79 N 0.76 0.95 -0.75 3.04 3.38 -0.86 -0.87 115.31 120.96 1rw9 h LEU 79 Ca 0.13 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1rw9 h LEU 79 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rw9 h LEU 79 CO 0.04 1.14 -0.40 0.77 0.09 0.00 0.00 178.44 180.08 1rw9 h SER 80 N 0.77 0.50 -0.47 -0.43 4.64 -0.95 -0.70 113.55 116.91 1rw9 h SER 80 Ca 0.10 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1rw9 h SER 80 Cb 0.77 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1rw9 h SER 80 CO 0.06 0.85 0.18 -0.61 -0.87 0.00 0.00 176.83 176.44 1rw9 h GLN 81 N 0.40 0.72 -0.70 4.77 -0.00 -0.92 0.20 115.11 119.56 1rw9 h GLN 81 Ca 0.04 -0.14 -0.05 0.00 -0.00 0.00 0.00 58.65 58.50 1rw9 h GLN 81 Cb 0.87 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 28.21 1rw9 h GLN 81 CO 0.07 0.65 0.23 -0.07 0.00 0.00 0.00 178.83 179.72 1rw9 h LEU 82 N 0.63 1.01 -1.18 -2.39 3.38 -0.90 -0.22 115.31 115.64 1rw9 h LEU 82 Ca 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1rw9 h LEU 82 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1rw9 h LEU 82 CO -0.01 0.94 0.18 0.00 0.09 0.00 0.00 178.44 179.64 1rw9 h ALA 83 N 1.11 1.35 -0.21 1.53 0.00 -0.88 0.73 119.26 122.88 1rw9 h ALA 83 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1rw9 h ALA 83 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rw9 h ALA 83 CO -0.01 0.48 0.10 1.15 0.00 0.00 0.00 179.25 180.98 1rw9 h THR 84 N 0.75 1.13 -0.53 0.00 2.02 -0.30 -1.88 112.91 114.09 1rw9 h THR 84 Ca 0.18 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1rw9 h THR 84 Cb 0.19 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1rw9 h THR 84 CO -0.01 0.12 0.29 0.00 0.37 0.00 0.00 175.52 176.29 1rw9 h ALA 85 N 0.97 0.68 -0.17 6.16 0.00 -0.65 -1.93 119.26 124.32 1rw9 h ALA 85 Ca 0.07 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1rw9 h ALA 85 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rw9 h ALA 85 CO -0.01 0.20 0.14 2.35 0.00 0.00 0.00 179.25 181.93 1rw9 h TRP 86 N 0.71 0.00 -0.02 0.00 7.01 -0.65 -1.83 115.95 121.17 1rw9 h TRP 86 Ca 0.19 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.19 1rw9 h TRP 86 Cb 0.05 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 1rw9 h TRP 86 CO -0.02 0.00 -0.16 0.00 -2.79 0.00 0.00 178.44 175.48 1rw9 n ALA 87 N -2.48 2.86 -2.59 2.65 0.00 -0.73 -1.17 120.51 119.06 1rw9 n ALA 87 Ca 0.01 -0.57 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 1rw9 n ALA 87 Cb 0.27 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 1rw9 n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rw9 s THR 88 N -2.20 5.09 0.31 0.00 2.01 -0.69 -4.87 115.64 115.30 1rw9 s THR 88 Ca 0.28 -0.46 -0.28 0.00 0.31 0.00 0.00 61.69 61.53 1rw9 s THR 88 Cb 0.20 -3.71 -0.13 0.00 0.01 0.00 0.00 72.50 68.86 1rw9 s THR 88 CO 0.41 -0.12 1.14 -2.65 -0.69 0.00 0.00 174.62 172.71 1rw9 n PRO 89 N 5.09 1.72 -0.28 4.92 -0.02 -1.26 -1.49 135.00 143.68 1rw9 n PRO 89 Ca -0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1rw9 n PRO 89 Cb 0.48 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1rw9 n PRO 89 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rw9 n THR 90 N 0.27 0.00 -1.93 3.45 -2.24 -1.26 -5.02 114.28 107.56 1rw9 n THR 90 Ca 0.07 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.50 1rw9 n THR 90 Cb 0.34 -0.04 0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1rw9 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rw9 s ALA 91 N -2.69 2.49 0.27 6.98 0.00 -0.56 -4.90 121.76 123.36 1rw9 s ALA 91 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1rw9 s ALA 91 Cb 0.00 -3.45 0.54 0.00 0.00 0.00 0.00 23.12 20.21 1rw9 s ALA 91 CO 0.00 -1.27 1.81 0.00 0.00 0.00 0.00 175.76 176.30 1rw9 h ALA 92 N 0.71 1.43 -0.57 0.00 0.00 -1.89 -1.77 119.26 117.18 1rw9 h ALA 92 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1rw9 h ALA 92 Cb 1.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1rw9 h ALA 92 CO 0.54 0.11 0.00 1.33 0.00 0.00 0.00 179.25 181.23 1rw9 n VAL 93 N -4.71 1.08 -1.68 0.00 0.24 -1.26 -4.92 118.33 107.09 1rw9 n VAL 93 Ca 0.18 -0.86 -0.48 0.00 -2.04 0.00 0.00 64.34 61.15 1rw9 n VAL 93 Cb 0.38 0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.96 1rw9 n VAL 93 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1rw9 n PHE 94 N 1.08 2.31 -1.33 6.34 7.35 -0.67 -1.31 117.46 131.24 1rw9 n PHE 94 Ca 0.20 0.06 -0.11 0.00 -0.76 0.00 0.00 57.45 56.84 1rw9 n PHE 94 Cb 0.60 -2.63 -0.05 0.00 0.35 0.00 0.00 39.48 37.75 1rw9 n PHE 94 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rw9 n GLY 95 N 4.13 1.14 3.62 7.13 0.00 -0.31 -4.93 105.19 115.97 1rw9 n GLY 95 Ca 0.21 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1rw9 n GLY 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rw9 s ASP 96 N -2.52 6.75 0.38 1.61 -1.08 -0.43 -4.90 116.67 116.47 1rw9 s ASP 96 Ca 0.00 0.84 0.10 0.00 -0.52 0.00 0.00 52.55 52.97 1rw9 s ASP 96 Cb 0.00 -2.55 0.74 0.00 -1.46 0.00 0.00 42.92 39.66 1rw9 s ASP 96 CO 0.00 -1.08 1.87 0.00 0.52 0.00 0.00 175.17 176.48 1rw9 h ALA 97 N 8.85 1.44 -0.39 3.66 0.00 -1.92 -0.17 119.26 130.73 1rw9 h ALA 97 Ca -0.23 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 1rw9 h ALA 97 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1rw9 h ALA 97 CO 1.07 0.40 -0.14 0.00 0.00 0.00 0.00 179.25 180.59 1rw9 h ALA 98 N 1.62 0.54 -0.23 0.00 0.00 -1.98 -0.52 119.26 118.70 1rw9 h ALA 98 Ca 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1rw9 h ALA 98 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rw9 h ALA 98 CO 0.03 0.45 0.07 0.28 0.00 0.00 0.00 179.25 180.08 1rw9 h VAL 99 N 0.59 1.19 -0.37 0.00 2.07 -1.86 -1.83 116.25 116.04 1rw9 h VAL 99 Ca 0.09 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1rw9 h VAL 99 Cb 0.67 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 1rw9 h VAL 99 CO 0.05 0.19 -0.11 0.25 0.02 0.00 0.00 177.57 177.97 1rw9 h LEU 100 N 0.20 -0.39 -0.83 2.57 5.85 -0.92 -0.68 115.31 121.11 1rw9 h LEU 100 Ca 0.07 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1rw9 h LEU 100 Cb 0.23 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 1rw9 h LEU 100 CO -0.00 -0.14 0.51 0.00 -0.34 0.00 0.00 178.44 178.47 1rw9 h ALA 101 N 1.34 1.15 -0.69 1.25 0.00 -0.91 -0.81 119.26 120.59 1rw9 h ALA 101 Ca 0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1rw9 h ALA 101 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1rw9 h ALA 101 CO -0.39 0.24 0.33 0.00 0.00 0.00 0.00 179.25 179.43 1rw9 h ALA 102 N 1.40 0.89 -0.11 0.00 0.00 -0.72 -0.04 119.26 120.69 1rw9 h ALA 102 Ca 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1rw9 h ALA 102 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1rw9 h ALA 102 CO -0.18 0.45 0.06 0.82 0.00 0.00 0.00 179.25 180.40 1rw9 h ILE 103 N 0.96 1.08 -0.62 0.00 2.04 -0.56 -1.41 117.51 119.00 1rw9 h ILE 103 Ca 0.24 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1rw9 h ILE 103 Cb 0.12 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1rw9 h ILE 103 CO -0.03 0.07 0.35 0.11 0.00 0.00 0.00 178.15 178.65 1rw9 h LYS 104 N 0.09 0.85 -0.08 2.37 1.57 -0.99 -0.23 116.57 120.16 1rw9 h LYS 104 Ca 0.04 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1rw9 h LYS 104 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1rw9 h LYS 104 CO -0.01 0.64 -0.38 0.00 -0.57 0.00 0.00 179.45 179.14 1rw9 h ALA 105 N 1.17 1.23 -0.22 3.86 0.00 -0.92 -0.38 119.26 124.01 1rw9 h ALA 105 Ca 0.22 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1rw9 h ALA 105 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1rw9 h ALA 105 CO -0.04 0.53 0.01 0.78 0.00 0.00 0.00 179.25 180.54 1rw9 h GLY 106 N 1.17 0.40 1.02 0.00 0.00 -0.71 -0.58 103.07 104.37 1rw9 h GLY 106 Ca 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1rw9 h GLY 106 CO 0.05 0.26 0.22 1.41 0.00 0.00 0.00 176.54 178.49 1rw9 h LEU 107 N 0.15 0.94 -0.14 3.11 3.38 -0.81 -0.48 115.31 121.46 1rw9 h LEU 107 Ca 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1rw9 h LEU 107 Cb 0.37 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1rw9 h LEU 107 CO 0.01 0.88 0.05 0.00 0.09 0.00 0.00 178.44 179.47 1rw9 h ALA 108 N 1.09 0.18 -0.22 1.53 0.00 -0.90 -2.01 119.26 118.93 1rw9 h ALA 108 Ca 0.21 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1rw9 h ALA 108 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rw9 h ALA 108 CO -0.01 -0.22 -0.63 -0.44 0.00 0.00 0.00 179.25 177.95 1rw9 h ASP 109 N 0.06 0.94 -0.31 0.00 3.32 -1.07 -0.57 116.42 118.79 1rw9 h ASP 109 Ca 0.05 -0.58 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 1rw9 h ASP 109 Cb 0.19 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1rw9 h ASP 109 CO -0.00 1.35 0.15 0.00 -1.72 0.00 0.00 179.24 179.01 1rw9 h ALA 110 N 0.61 1.60 0.29 3.45 0.00 -1.07 -0.16 119.26 123.99 1rw9 h ALA 110 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rw9 h ALA 110 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1rw9 h ALA 110 CO 0.13 0.32 -0.14 -0.97 0.00 0.00 0.00 179.25 178.59 1rw9 h ASN 111 N 0.49 -0.33 -0.18 0.00 -0.00 -0.92 -0.13 115.58 114.52 1rw9 h ASN 111 Ca 0.12 -0.13 0.04 0.00 -0.00 0.00 0.00 56.30 56.34 1rw9 h ASN 111 Cb 0.09 0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 38.46 1rw9 h ASN 111 CO -0.01 -0.06 -0.06 0.74 -0.00 0.00 0.00 177.43 178.04 1rw9 h THR 112 N -0.61 0.78 0.00 -3.57 2.02 -0.84 -3.17 112.91 107.53 1rw9 h THR 112 Ca -0.04 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.02 1rw9 h THR 112 Cb 0.44 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1rw9 h THR 112 CO 0.07 0.00 -0.57 -0.07 0.37 0.00 0.00 175.52 175.32 1rw9 h LEU 113 N -0.02 0.00 0.00 2.58 3.38 -1.10 -3.46 115.31 116.69 1rw9 h LEU 113 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rw9 h LEU 113 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rw9 h LEU 113 CO -0.20 0.57 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1rw9 s TYR 115 N -1.06 3.62 0.25 0.00 5.04 -0.12 -4.71 117.35 120.37 1rw9 s TYR 115 Ca 0.00 -1.99 -0.00 0.00 -2.44 0.00 0.00 57.07 52.64 1rw9 s TYR 115 Cb 0.00 -4.07 -0.03 0.00 0.35 0.00 0.00 41.96 38.21 1rw9 s TYR 115 CO 0.00 -1.22 0.25 0.54 -1.34 0.00 0.00 175.55 173.77 1rw9 s ASN 116 N 2.58 0.60 0.00 4.32 2.20 -1.24 -4.29 114.94 119.11 1rw9 s ASN 116 Ca 0.30 -1.44 0.16 0.00 -0.94 0.00 0.00 52.86 50.94 1rw9 s ASN 116 Cb -0.07 0.48 0.95 0.00 -2.00 0.00 0.00 41.25 40.61 1rw9 s ASN 116 CO -0.07 -0.98 1.42 -0.90 -2.94 0.00 0.00 177.10 173.62 1rw9 n ASP 117 N -0.74 0.00 -0.53 3.54 5.75 -1.26 -2.36 116.55 120.95 1rw9 n ASP 117 Ca 0.03 -0.91 0.06 0.00 -0.01 0.00 0.00 54.79 53.97 1rw9 n ASP 117 Cb 0.64 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.80 1rw9 n ASP 117 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1rw9 n ARG 118 N -0.85 1.08 -3.41 0.11 1.74 -1.26 -4.96 116.66 109.11 1rw9 n ARG 118 Ca 0.12 -1.39 -0.37 0.00 -0.77 0.00 0.00 57.85 55.44 1rw9 n ARG 118 Cb 0.05 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 30.18 1rw9 n ARG 118 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1rw9 s LYS 119 N -1.02 4.26 0.31 5.56 2.47 -0.99 -5.05 119.74 125.27 1rw9 s LYS 119 Ca 0.16 0.33 -0.27 0.00 -1.56 0.00 0.00 55.97 54.64 1rw9 s LYS 119 Cb 0.11 -3.41 -0.10 0.00 -1.46 0.00 0.00 37.83 32.98 1rw9 s LYS 119 CO 0.16 0.25 0.97 -2.00 0.16 0.00 0.00 175.35 174.89 1rw9 s GLU 120 N 0.36 4.58 0.35 4.03 2.12 -1.26 -4.93 118.70 123.95 1rw9 s GLU 120 Ca 0.23 1.42 -0.29 0.00 0.36 0.00 0.00 54.97 56.69 1rw9 s GLU 120 Cb -0.15 -2.89 -0.11 0.00 0.26 0.00 0.00 34.13 31.25 1rw9 s GLU 120 CO 0.09 0.26 1.54 -1.21 -0.54 0.00 0.00 175.26 175.40 1rw9 s GLU 121 N -1.90 4.10 -0.07 4.30 2.02 -1.26 -5.01 118.70 120.88 1rw9 s GLU 121 Ca 0.49 2.60 0.02 0.00 0.02 0.00 0.00 54.97 58.10 1rw9 s GLU 121 Cb -0.22 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.05 1rw9 s GLU 121 CO 0.27 -0.60 -0.11 0.08 0.02 0.00 0.00 175.26 174.92 1rw9 s VAL 122 N -0.67 1.08 0.00 2.63 1.01 -1.26 -5.08 120.40 118.11 1rw9 s VAL 122 Ca 0.57 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1rw9 s VAL 122 Cb -0.48 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1rw9 s VAL 122 CO 0.58 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.63 1rw9 n GLY 123 N 3.97 -0.17 3.66 4.51 0.00 -1.26 -4.69 105.19 111.22 1rw9 n GLY 123 Ca -0.22 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1rw9 n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rw9 s ASN 124 N -4.00 6.57 0.34 1.61 3.84 -1.26 -4.87 114.94 117.17 1rw9 s ASN 124 Ca 0.00 2.35 0.10 0.00 0.21 0.00 0.00 52.86 55.52 1rw9 s ASN 124 Cb 0.00 -2.53 0.86 0.00 -0.55 0.00 0.00 41.25 39.03 1rw9 s ASN 124 CO 0.00 -0.99 1.79 4.11 -2.79 0.00 0.00 177.10 179.22 1rw9 h TRP 125 N 9.99 0.92 -0.62 0.43 5.08 -2.00 -1.65 115.95 128.10 1rw9 h TRP 125 Ca -0.42 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.58 1rw9 h TRP 125 Cb 1.20 -0.28 -0.03 0.00 -3.00 0.00 0.00 29.16 27.05 1rw9 h TRP 125 CO 0.91 0.19 0.39 2.35 -1.28 0.00 0.00 178.44 180.99 1rw9 h TRP 126 N 0.64 0.79 -0.65 0.12 7.01 -1.98 -1.58 115.95 120.32 1rw9 h TRP 126 Ca 0.57 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.61 1rw9 h TRP 126 Cb 1.05 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.80 1rw9 h TRP 126 CO -0.00 0.52 0.39 0.77 -2.79 0.00 0.00 178.44 177.32 1rw9 h SER 127 N 0.85 0.62 0.86 2.65 0.02 -1.64 0.83 113.55 117.73 1rw9 h SER 127 Ca 0.22 0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.96 1rw9 h SER 127 Cb -0.06 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1rw9 h SER 127 CO -0.04 0.42 -1.03 -0.50 -1.14 0.00 0.00 176.83 174.54 1rw9 h TRP 128 N 0.75 0.14 0.00 3.45 4.06 -1.41 -1.41 115.95 121.53 1rw9 h TRP 128 Ca 0.27 -0.10 -0.17 0.00 2.06 0.00 0.00 58.89 60.95 1rw9 h TRP 128 Cb 0.07 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 1rw9 h TRP 128 CO -0.06 1.05 -1.98 0.39 -3.56 0.00 0.00 178.44 174.28 1rw9 n GLU 129 N -3.44 1.03 0.00 0.49 1.02 -0.74 -4.45 120.64 114.56 1rw9 n GLU 129 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1rw9 n GLU 129 Cb 0.93 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1rw9 n GLU 129 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1rw9 n ILE 130 N -2.39 0.03 0.14 -3.67 5.41 -0.07 -4.58 119.36 114.23 1rw9 n ILE 130 Ca -0.17 0.01 -0.14 0.00 1.00 0.00 0.00 62.75 63.45 1rw9 n ILE 130 Cb 0.79 -1.47 -0.08 0.00 -0.71 0.00 0.00 39.64 38.17 1rw9 n ILE 130 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1rw9 h GLY 131 N 0.00 -0.32 0.53 7.39 0.00 -0.92 -2.66 103.07 107.09 1rw9 h GLY 131 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1rw9 h GLY 131 CO 0.00 -0.12 -0.10 -2.08 0.00 0.00 0.00 176.54 174.25 1rw9 h VAL 132 N -0.43 0.85 -0.77 4.60 2.07 -1.50 -3.27 116.25 117.80 1rw9 h VAL 132 Ca -0.03 -0.87 0.13 0.00 0.82 0.00 0.00 66.70 66.74 1rw9 h VAL 132 Cb 0.33 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 1rw9 h VAL 132 CO 0.05 0.18 0.36 -0.65 0.02 0.00 0.00 177.57 177.53 1rw9 h PRO 133 N -0.75 0.54 -0.82 1.57 0.11 -1.78 0.27 132.00 131.14 1rw9 h PRO 133 Ca -0.03 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1rw9 h PRO 133 Cb 0.50 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 1rw9 h PRO 133 CO 0.05 0.36 0.34 0.00 -0.21 0.00 0.00 178.00 178.53 1rw9 h ARG 134 N 0.56 1.21 -0.08 1.05 3.08 -1.59 0.25 114.38 118.86 1rw9 h ARG 134 Ca 0.41 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 1rw9 h ARG 134 Cb 0.55 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.40 1rw9 h ARG 134 CO -0.34 0.97 -0.44 0.00 -1.07 0.00 0.00 179.97 179.08 1rw9 h ALA 135 N 1.18 0.16 -0.64 0.04 0.00 -1.38 -1.90 119.26 116.72 1rw9 h ALA 135 Ca 0.27 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1rw9 h ALA 135 Cb 0.20 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1rw9 h ALA 135 CO -0.03 0.30 0.28 1.25 0.00 0.00 0.00 179.25 181.05 1rw9 h LEU 136 N -0.02 0.87 -0.40 0.00 5.85 -0.44 -0.40 115.31 120.77 1rw9 h LEU 136 Ca -0.03 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1rw9 h LEU 136 Cb 1.10 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1rw9 h LEU 136 CO 0.09 0.78 0.19 0.00 -0.34 0.00 0.00 178.44 179.17 1rw9 h ALA 137 N 1.12 0.51 -0.41 1.25 0.00 -0.97 -0.30 119.26 120.47 1rw9 h ALA 137 Ca 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1rw9 h ALA 137 Cb 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1rw9 h ALA 137 CO -0.02 0.07 0.20 -0.44 0.00 0.00 0.00 179.25 179.06 1rw9 h ASP 138 N 0.51 0.28 -0.87 0.00 3.32 -1.18 -1.53 116.42 116.94 1rw9 h ASP 138 Ca 0.14 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1rw9 h ASP 138 Cb 0.12 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1rw9 h ASP 138 CO -0.02 0.21 0.51 0.00 -1.72 0.00 0.00 179.24 178.22 1rw9 h ALA 139 N 1.22 1.25 -0.58 3.45 0.00 -0.73 0.25 119.26 124.13 1rw9 h ALA 139 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1rw9 h ALA 139 Cb 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1rw9 h ALA 139 CO -0.13 0.63 0.34 0.52 0.00 0.00 0.00 179.25 180.61 1rw9 h MET 140 N 1.21 0.79 -0.26 0.00 2.86 -0.61 -0.58 114.93 118.35 1rw9 h MET 140 Ca 0.31 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1rw9 h MET 140 Cb -0.02 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1rw9 h MET 140 CO -0.06 0.58 -0.11 0.28 1.06 0.00 0.00 176.91 178.66 1rw9 h VAL 141 N 0.78 1.30 -0.75 -2.22 2.07 -0.84 -1.12 116.25 115.47 1rw9 h VAL 141 Ca 0.21 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.58 1rw9 h VAL 141 Cb 0.00 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1rw9 h VAL 141 CO -0.04 0.37 0.49 -0.07 0.02 0.00 0.00 177.57 178.35 1rw9 h LEU 142 N 0.26 0.75 -3.43 2.57 3.38 -0.81 -2.58 115.31 115.44 1rw9 h LEU 142 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rw9 h LEU 142 Cb 0.62 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1rw9 h LEU 142 CO 0.04 0.50 0.00 0.18 0.09 0.00 0.00 178.44 179.25 1rw9 n LEU 143 N -4.47 5.28 -0.35 1.67 4.77 -0.24 -4.69 117.00 118.97 1rw9 n LEU 143 Ca 0.10 -2.83 0.02 0.00 -0.03 0.00 0.00 56.01 53.27 1rw9 n LEU 143 Cb 0.16 -0.64 0.16 0.00 -2.33 0.00 0.00 43.42 40.78 1rw9 n LEU 143 CO 0.34 0.68 1.24 -0.74 -1.33 0.00 0.00 177.39 177.58 1rw9 h HIS 144 N 3.72 1.13 0.00 -1.77 2.76 -0.78 0.84 115.15 121.06 1rw9 h HIS 144 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1rw9 h HIS 144 Cb 1.79 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 30.38 1rw9 h HIS 144 CO 0.94 0.59 0.00 0.00 -1.30 0.00 0.00 177.93 178.16 1rw9 n ALA 145 N -2.36 1.54 -0.03 5.26 0.00 -1.26 -3.84 120.51 119.82 1rw9 n ALA 145 Ca 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1rw9 n ALA 145 Cb 0.18 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 1rw9 n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rw9 n GLU 146 N -1.77 2.66 -2.69 0.00 -0.58 0.17 -5.01 120.64 113.43 1rw9 n GLU 146 Ca 0.02 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.43 1rw9 n GLU 146 Cb 0.16 -1.16 -0.05 0.00 -0.57 0.00 0.00 31.44 29.81 1rw9 n GLU 146 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1rw9 s LEU 147 N -4.57 3.95 0.73 -4.62 1.43 -0.49 -5.06 118.68 110.04 1rw9 s LEU 147 Ca -0.04 1.82 -0.10 0.00 -1.03 0.00 0.00 54.13 54.78 1rw9 s LEU 147 Cb 0.02 -4.48 0.05 0.00 0.03 0.00 0.00 46.19 41.81 1rw9 s LEU 147 CO 0.25 -0.52 1.08 -0.94 0.23 0.00 0.00 176.35 176.46 1rw9 s SER 148 N -2.01 4.94 0.23 2.29 1.04 -1.26 -4.92 113.70 114.00 1rw9 s SER 148 Ca 0.63 0.78 -0.08 0.00 0.48 0.00 0.00 55.95 57.76 1rw9 s SER 148 Cb -0.14 -1.44 0.25 0.00 0.10 0.00 0.00 66.02 64.80 1rw9 s SER 148 CO 0.18 -1.59 1.86 0.00 0.98 0.00 0.00 173.24 174.66 1rw9 h ALA 149 N -0.74 1.06 -0.66 5.32 0.00 -1.97 -1.59 119.26 120.69 1rw9 h ALA 149 Ca -0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1rw9 h ALA 149 Cb 1.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1rw9 h ALA 149 CO 0.63 0.28 0.30 0.00 0.00 0.00 0.00 179.25 180.47 1rw9 h ALA 150 N 1.35 1.30 -0.31 0.00 0.00 -1.99 0.67 119.26 120.27 1rw9 h ALA 150 Ca 0.33 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1rw9 h ALA 150 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1rw9 h ALA 150 CO -0.13 0.54 0.01 0.93 0.00 0.00 0.00 179.25 180.60 1rw9 h GLU 151 N 0.93 0.54 -0.73 0.00 5.08 -1.81 -1.35 114.58 117.25 1rw9 h GLU 151 Ca 0.23 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1rw9 h GLU 151 Cb 0.12 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1rw9 h GLU 151 CO -0.03 0.67 0.48 0.00 -1.00 0.00 0.00 179.01 179.13 1rw9 h ARG 152 N 0.34 0.94 -0.31 2.33 3.08 -0.93 -0.75 114.38 119.09 1rw9 h ARG 152 Ca 0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1rw9 h ARG 152 Cb 0.41 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1rw9 h ARG 152 CO 0.01 0.62 0.20 1.15 -1.07 0.00 0.00 179.97 180.88 1rw9 h THR 153 N 0.97 1.10 -0.39 2.04 2.02 -0.61 0.79 112.91 118.83 1rw9 h THR 153 Ca 0.27 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1rw9 h THR 153 Cb -0.09 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1rw9 h THR 153 CO -0.07 0.10 0.24 0.00 0.37 0.00 0.00 175.52 176.16 1rw9 h ALA 154 N 1.09 0.49 -0.06 6.16 0.00 -0.85 -0.45 119.26 125.64 1rw9 h ALA 154 Ca 0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1rw9 h ALA 154 Cb -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rw9 h ALA 154 CO -0.02 -0.09 -0.59 1.88 0.00 0.00 0.00 179.25 180.43 1rw9 h TYR 155 N 0.48 0.71 -0.77 0.00 0.05 -0.91 -1.68 116.97 114.85 1rw9 h TYR 155 Ca 0.15 -0.34 0.07 0.00 0.05 0.00 0.00 58.73 58.66 1rw9 h TYR 155 Cb -0.01 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.57 1rw9 h TYR 155 CO -0.07 1.14 0.44 0.00 -1.05 0.00 0.00 178.16 178.63 1rw9 h ALA 157 N 1.40 1.20 0.04 0.00 0.00 -0.90 0.09 119.26 121.08 1rw9 h ALA 157 Ca 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rw9 h ALA 157 Cb 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rw9 h ALA 157 CO -0.20 0.57 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 1rw9 h ALA 158 N 1.32 -0.05 -0.23 0.00 0.00 -1.03 -1.28 119.26 117.99 1rw9 h ALA 158 Ca 0.21 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1rw9 h ALA 158 Cb 0.22 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1rw9 h ALA 158 CO -0.01 -0.44 0.04 0.82 0.00 0.00 0.00 179.25 179.65 1rw9 h ILE 159 N -0.23 0.88 0.00 0.00 2.04 -1.08 -2.40 117.51 116.72 1rw9 h ILE 159 Ca -0.01 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1rw9 h ILE 159 Cb 0.21 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1rw9 h ILE 159 CO 0.01 0.02 -0.24 0.44 0.00 0.00 0.00 178.15 178.38 1rw9 h ASP 160 N 0.12 0.00 -0.35 1.72 3.32 -0.86 0.57 116.42 120.94 1rw9 h ASP 160 Ca 0.10 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1rw9 h ASP 160 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1rw9 h ASP 160 CO -0.15 0.24 0.10 -0.74 -1.72 0.00 0.00 179.24 176.97 1rw9 h HIS 161 N 0.00 0.57 0.00 4.55 -0.00 -0.75 -2.08 115.15 117.45 1rw9 h HIS 161 Ca -0.00 -0.06 -0.20 0.00 -0.00 0.00 0.00 60.37 60.11 1rw9 h HIS 161 Cb 0.45 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 1rw9 h HIS 161 CO 0.00 0.57 -0.98 0.74 -0.00 0.00 0.00 177.93 178.25 1rw9 h PHE 162 N 0.41 0.00 -2.24 5.26 -1.00 -1.04 -3.39 116.94 114.95 1rw9 h PHE 162 Ca 0.11 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.31 1rw9 h PHE 162 Cb 0.27 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 39.43 1rw9 h PHE 162 CO 0.01 0.91 -0.91 0.28 -1.61 0.00 0.00 178.31 176.99 1rw9 n VAL 163 N -3.29 0.09 0.27 -0.55 0.31 0.15 -4.81 118.33 110.49 1rw9 n VAL 163 Ca -0.01 -4.23 0.16 0.00 -0.01 0.00 0.00 64.34 60.25 1rw9 n VAL 163 Cb 0.91 -1.94 0.70 0.00 -0.91 0.00 0.00 33.84 32.60 1rw9 n VAL 163 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1rw9 h PRO 164 N 4.55 0.00 -1.74 5.55 0.13 -1.58 -3.41 132.00 135.49 1rw9 h PRO 164 Ca 0.15 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.12 1rw9 h PRO 164 Cb 0.83 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.67 1rw9 h PRO 164 CO 0.55 0.05 -0.51 0.34 -0.23 0.00 0.00 178.00 178.20 1rw9 s ASP 165 N -5.77 0.27 0.00 1.44 -1.08 -1.26 -5.02 116.67 105.24 1rw9 s ASP 165 Ca 0.00 -0.13 0.14 0.00 -0.52 0.00 0.00 52.55 52.04 1rw9 s ASP 165 Cb 0.10 1.15 0.72 0.00 -1.46 0.00 0.00 42.92 43.43 1rw9 s ASP 165 CO 0.55 -0.33 1.33 -0.81 0.52 0.00 0.00 175.17 176.42 1rw9 n PRO 166 N 5.36 0.26 0.00 4.34 -0.04 -1.26 -1.28 135.00 142.38 1rw9 n PRO 166 Ca -0.01 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 1rw9 n PRO 166 Cb 0.50 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.97 1rw9 n PRO 166 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1rw9 n TRP 167 N -1.21 0.00 -4.34 0.54 7.02 -1.26 -4.56 117.44 113.64 1rw9 n TRP 167 Ca 0.07 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.38 1rw9 n TRP 167 Cb 0.09 -0.41 -0.10 0.00 -2.42 0.00 0.00 31.31 28.47 1rw9 n TRP 167 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1rw9 s LEU 168 N -2.82 2.49 0.08 -0.99 1.43 -0.40 -0.97 118.68 117.50 1rw9 s LEU 168 Ca 0.15 -1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.13 1rw9 s LEU 168 Cb 0.15 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 1rw9 s LEU 168 CO 0.38 -0.28 0.09 0.00 0.23 0.00 0.00 176.35 176.77 1rw9 s GLN 169 N -3.71 0.78 0.00 1.70 -2.07 -0.17 -4.62 119.66 111.57 1rw9 s GLN 169 Ca 0.23 -1.15 0.00 0.00 -1.82 0.00 0.00 55.36 52.62 1rw9 s GLN 169 Cb 0.02 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 1rw9 s GLN 169 CO 0.06 -0.21 0.00 1.19 -1.32 0.00 0.00 175.29 175.01 1rw9 n PHE 170 N -0.01 0.00 -1.83 9.60 0.99 -1.26 -1.52 117.46 123.44 1rw9 n PHE 170 Ca -0.13 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.00 1rw9 n PHE 170 Cb 0.62 -0.22 0.03 0.00 -1.00 0.00 0.00 39.48 38.92 1rw9 n PHE 170 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1rw9 s PRO 171 N -4.29 3.09 0.33 -1.08 0.04 -1.26 -4.71 135.00 127.12 1rw9 s PRO 171 Ca 0.00 1.15 0.10 0.00 0.04 0.00 0.00 61.00 62.29 1rw9 s PRO 171 Cb 0.00 -2.00 0.88 0.00 0.04 0.00 0.00 34.50 33.42 1rw9 s PRO 171 CO 0.00 -0.99 1.76 -1.35 0.04 0.00 0.00 177.00 176.46 1rw9 h PRO 172 N -0.04 0.59 0.00 0.56 0.11 -1.96 -1.41 132.00 129.85 1rw9 h PRO 172 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1rw9 h PRO 172 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1rw9 h PRO 172 CO 0.56 0.39 0.00 0.87 -0.21 0.00 0.00 178.00 179.62 1rw9 h LYS 173 N 0.61 0.00 0.00 1.05 6.56 -2.01 -2.09 116.57 120.69 1rw9 h LYS 173 Ca 0.60 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 60.04 1rw9 h LYS 173 Cb 1.15 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.78 1rw9 h LYS 173 CO -0.39 0.00 -1.82 -2.13 -2.06 0.00 0.00 179.45 173.05 1rw9 n ARG 174 N -2.31 0.65 -0.14 3.15 0.63 -0.53 -5.08 116.66 113.02 1rw9 n ARG 174 Ca -0.01 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1rw9 n ARG 174 Cb 0.09 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.35 1rw9 n ARG 174 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rw9 n GLY 175 N 1.43 -1.41 3.80 5.14 0.00 -0.79 -5.02 105.19 108.34 1rw9 n GLY 175 Ca -0.13 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 1rw9 n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rw9 s LYS 176 N -3.73 4.04 0.34 1.61 1.02 -1.26 -4.83 119.74 116.93 1rw9 s LYS 176 Ca 0.00 0.37 0.09 0.00 0.02 0.00 0.00 55.97 56.45 1rw9 s LYS 176 Cb 0.00 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.96 1rw9 s LYS 176 CO 0.00 0.53 -0.08 0.96 -0.92 0.00 0.00 175.35 175.84 1rw9 s ILE 177 N -0.54 2.33 0.19 2.17 -4.36 -0.57 -4.90 121.20 115.51 1rw9 s ILE 177 Ca 0.23 -2.17 -0.32 0.00 -0.26 0.00 0.00 60.65 58.14 1rw9 s ILE 177 Cb -0.16 -2.67 -0.12 0.00 1.25 0.00 0.00 42.46 40.77 1rw9 s ILE 177 CO 0.11 -0.21 1.74 -0.89 0.24 0.00 0.00 174.94 175.94 1rw9 s THR 178 N -2.59 2.15 0.26 8.37 2.01 -1.26 -1.00 115.64 123.58 1rw9 s THR 178 Ca 0.33 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 1rw9 s THR 178 Cb 0.02 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.41 1rw9 s THR 178 CO 0.17 0.00 0.91 -0.94 -0.69 0.00 0.00 174.62 174.07 1rw9 s SER 179 N 1.52 7.49 0.13 3.53 1.04 -0.15 -4.77 113.70 122.49 1rw9 s SER 179 Ca 0.76 1.85 0.04 0.00 0.48 0.00 0.00 55.95 59.08 1rw9 s SER 179 Cb -0.49 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.01 1rw9 s SER 179 CO 0.33 0.09 -0.09 0.68 0.98 0.00 0.00 173.24 175.22 1rw9 s VAL 180 N -1.34 1.03 0.00 5.02 -7.23 -1.26 -4.50 120.40 112.13 1rw9 s VAL 180 Ca 0.44 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1rw9 s VAL 180 Cb -0.23 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 34.99 1rw9 s VAL 180 CO 0.28 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1rw9 n GLY 181 N -0.02 3.09 0.37 2.32 0.00 -1.26 -1.63 105.19 108.05 1rw9 n GLY 181 Ca -0.12 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1rw9 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw9 h ALA 182 N -0.84 2.01 -0.24 4.61 0.00 -1.95 -2.08 119.26 120.77 1rw9 h ALA 182 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1rw9 h ALA 182 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1rw9 h ALA 182 CO 0.00 -0.19 -0.10 -0.91 0.00 0.00 0.00 179.25 178.05 1rw9 h ASN 183 N 0.48 0.51 -0.58 0.00 2.35 -1.69 -0.90 115.58 115.76 1rw9 h ASN 183 Ca 0.34 -0.40 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1rw9 h ASN 183 Cb 0.68 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.86 1rw9 h ASN 183 CO -0.11 0.80 0.29 -0.09 -1.65 0.00 0.00 177.43 176.66 1rw9 h ARG 184 N 0.22 0.53 0.05 0.81 9.65 -1.15 -0.25 114.38 124.24 1rw9 h ARG 184 Ca 0.06 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1rw9 h ARG 184 Cb 0.60 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1rw9 h ARG 184 CO 0.03 0.35 -0.02 0.28 2.80 0.00 0.00 179.97 183.41 1rw9 h VAL 185 N 0.54 0.98 -0.86 0.20 2.07 -1.18 -0.80 116.25 117.20 1rw9 h VAL 185 Ca 0.26 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 1rw9 h VAL 185 Cb 0.19 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1rw9 h VAL 185 CO -0.19 0.02 0.46 0.44 0.02 0.00 0.00 177.57 178.32 1rw9 h ASP 186 N -0.10 1.08 -0.28 0.57 3.32 -0.98 0.12 116.42 120.14 1rw9 h ASP 186 Ca -0.01 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1rw9 h ASP 186 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1rw9 h ASP 186 CO 0.01 0.87 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.26 1rw9 h LEU 187 N 1.20 0.54 -1.11 1.55 3.38 -0.91 -2.09 115.31 117.87 1rw9 h LEU 187 Ca 0.30 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1rw9 h LEU 187 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1rw9 h LEU 187 CO -0.05 0.78 0.15 0.00 0.09 0.00 0.00 178.44 179.42 1rw9 h GLN 189 N 0.76 -0.20 -0.62 0.00 4.15 -0.55 0.10 115.11 118.76 1rw9 h GLN 189 Ca 0.17 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.65 1rw9 h GLN 189 Cb 0.24 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 1rw9 h GLN 189 CO -0.01 -0.13 0.36 0.78 -1.93 0.00 0.00 178.83 177.90 1rw9 h GLY 190 N -0.20 0.90 1.26 2.39 0.00 -1.17 -1.16 103.07 105.09 1rw9 h GLY 190 Ca -0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1rw9 h GLY 190 CO -0.01 0.19 -0.28 -2.22 0.00 0.00 0.00 176.54 174.22 1rw9 h ILE 191 N 0.69 1.27 -0.26 2.60 1.08 -1.06 -1.37 117.51 120.46 1rw9 h ILE 191 Ca 0.27 -1.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.30 1rw9 h ILE 191 Cb 0.10 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1rw9 h ILE 191 CO -0.14 0.48 0.15 0.40 -0.69 0.00 0.00 178.15 178.34 1rw9 h ILE 192 N 0.71 1.11 -0.54 -0.67 2.04 -0.34 0.11 117.51 119.92 1rw9 h ILE 192 Ca 0.08 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1rw9 h ILE 192 Cb 0.82 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1rw9 h ILE 192 CO 0.07 0.11 0.09 0.40 0.00 0.00 0.00 178.15 178.82 1rw9 h ILE 193 N 0.31 1.25 -0.41 -0.67 1.08 -1.20 -1.57 117.51 116.31 1rw9 h ILE 193 Ca 0.09 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1rw9 h ILE 193 Cb 0.05 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 1rw9 h ILE 193 CO -0.02 0.35 0.20 -0.09 -0.69 0.00 0.00 178.15 177.90 1rw9 h ARG 194 N 0.79 0.56 0.00 2.37 1.12 -1.10 -1.84 114.38 116.28 1rw9 h ARG 194 Ca 0.17 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.94 1rw9 h ARG 194 Cb 0.41 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 1rw9 h ARG 194 CO 0.01 0.44 -0.18 0.77 -3.11 0.00 0.00 179.97 177.89 1rw9 h SER 195 N 0.57 0.00 -0.15 -3.80 0.02 -0.14 -1.33 113.55 108.71 1rw9 h SER 195 Ca 0.14 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.95 1rw9 h SER 195 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1rw9 h SER 195 CO -0.02 0.18 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.30 1rw9 h LEU 196 N 0.00 0.68 -0.15 5.07 3.38 -0.49 0.37 115.31 124.18 1rw9 h LEU 196 Ca -0.00 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1rw9 h LEU 196 Cb 0.74 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1rw9 h LEU 196 CO 0.02 1.17 0.07 0.00 0.09 0.00 0.00 178.44 179.79 1rw9 h ALA 197 N 0.53 0.20 -0.01 1.53 0.00 -1.22 -3.16 119.26 117.14 1rw9 h ALA 197 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rw9 h ALA 197 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1rw9 h ALA 197 CO 0.10 -0.24 -0.09 0.41 0.00 0.00 0.00 179.25 179.43 1rw9 n GLY 198 N -0.80 -0.41 3.52 0.00 0.00 -0.52 -4.98 105.19 102.00 1rw9 n GLY 198 Ca -0.05 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 1rw9 n GLY 198 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rw9 n GLU 199 N -0.34 -1.57 -3.83 1.61 1.02 0.01 -4.97 120.64 112.57 1rw9 n GLU 199 Ca 0.17 0.62 -0.33 0.00 -0.02 0.00 0.00 57.16 57.59 1rw9 n GLU 199 Cb 0.32 -4.72 -0.12 0.00 -0.02 0.00 0.00 31.44 26.90 1rw9 n GLU 199 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1rw9 s ASP 200 N -3.42 4.83 0.44 1.62 -1.08 -0.52 -4.96 116.67 113.58 1rw9 s ASP 200 Ca 0.46 -2.83 0.16 0.00 -0.52 0.00 0.00 52.55 49.82 1rw9 s ASP 200 Cb -0.13 -1.75 1.00 0.00 -1.46 0.00 0.00 42.92 40.57 1rw9 s ASP 200 CO 0.82 -0.32 1.97 1.55 0.52 0.00 0.00 175.17 179.70 1rw9 h PRO 201 N 6.91 0.00 0.14 4.34 0.13 -1.93 -1.80 132.00 139.78 1rw9 h PRO 201 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1rw9 h PRO 201 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1rw9 h PRO 201 CO 0.69 0.22 -0.07 1.15 -0.23 0.00 0.00 178.00 179.76 1rw9 h THR 202 N 0.00 1.02 -0.80 1.56 2.02 -1.98 0.24 112.91 114.96 1rw9 h THR 202 Ca -0.00 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1rw9 h THR 202 Cb 0.40 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1rw9 h THR 202 CO 0.03 0.18 0.45 0.11 0.37 0.00 0.00 175.52 176.66 1rw9 h LYS 203 N -0.56 1.10 0.38 6.66 1.57 -1.96 -2.17 116.57 121.59 1rw9 h LYS 203 Ca -0.02 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1rw9 h LYS 203 Cb 0.44 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1rw9 h LYS 203 CO 0.03 0.80 -0.18 1.25 -0.57 0.00 0.00 179.45 180.79 1rw9 h LEU 204 N 1.10 -0.43 -0.85 2.94 6.46 -1.20 -1.37 115.31 121.96 1rw9 h LEU 204 Ca 0.28 -0.00 0.08 0.00 -0.12 0.00 0.00 57.88 58.12 1rw9 h LEU 204 Cb 0.01 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 39.98 1rw9 h LEU 204 CO -0.05 -0.28 0.51 0.78 -0.62 0.00 0.00 178.44 178.78 1rw9 h ASN 205 N -0.53 0.77 -0.26 1.25 2.35 -0.86 -0.65 115.58 117.65 1rw9 h ASN 205 Ca -0.05 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1rw9 h ASN 205 Cb 0.40 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1rw9 h ASN 205 CO 0.08 0.47 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.58 1rw9 h HIS 206 N 0.90 0.51 -0.82 1.19 2.76 -1.21 -1.16 115.15 117.33 1rw9 h HIS 206 Ca 0.39 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.45 1rw9 h HIS 206 Cb 0.27 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 1rw9 h HIS 206 CO -0.04 0.64 0.44 0.00 -1.30 0.00 0.00 177.93 177.66 1rw9 h ALA 207 N 0.81 1.23 -0.44 5.26 0.00 -0.78 -1.15 119.26 124.19 1rw9 h ALA 207 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rw9 h ALA 207 Cb 0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1rw9 h ALA 207 CO 0.02 0.61 0.23 0.28 0.00 0.00 0.00 179.25 180.39 1rw9 h VAL 208 N 1.14 1.17 -0.16 0.00 2.07 -0.94 -2.04 116.25 117.49 1rw9 h VAL 208 Ca 0.29 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1rw9 h VAL 208 Cb 0.04 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1rw9 h VAL 208 CO -0.04 0.18 0.01 0.00 0.02 0.00 0.00 177.57 177.73 1rw9 h ALA 209 N 1.08 1.73 0.00 1.67 0.00 -0.83 -1.55 119.26 121.37 1rw9 h ALA 209 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1rw9 h ALA 209 Cb 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rw9 h ALA 209 CO -0.02 0.21 -0.06 0.78 0.00 0.00 0.00 179.25 180.16 1rw9 h GLY 210 N 0.44 0.00 2.00 0.00 0.00 -0.47 -2.36 103.07 102.68 1rw9 h GLY 210 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1rw9 h GLY 210 CO 0.00 0.00 -0.21 1.41 0.00 0.00 0.00 176.54 177.74 1rw9 h LEU 211 N 0.00 0.00 -1.41 3.11 3.38 -1.17 -3.25 115.31 115.96 1rw9 h LEU 211 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1rw9 h LEU 211 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1rw9 h LEU 211 CO 0.01 0.21 0.41 0.28 0.09 0.00 0.00 178.44 179.44 1rw9 h SER 212 N 0.00 0.67 0.11 -0.43 0.02 -1.56 -1.89 113.55 110.47 1rw9 h SER 212 Ca -0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1rw9 h SER 212 Cb 0.45 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1rw9 h SER 212 CO 0.03 0.47 -0.09 -0.61 -1.14 0.00 0.00 176.83 175.49 1rw9 h GLN 213 N 0.78 0.00 0.00 3.45 5.75 -1.77 -3.16 115.11 120.17 1rw9 h GLN 213 Ca 0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1rw9 h GLN 213 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1rw9 h GLN 213 CO -0.06 0.09 0.00 -0.39 -2.65 0.00 0.00 178.83 175.82 1rw9 h VAL 214 N 0.00 0.00 -0.28 2.39 -1.51 -1.56 -2.69 116.25 112.60 1rw9 h VAL 214 Ca -0.00 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1rw9 h VAL 214 Cb 0.17 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1rw9 h VAL 214 CO 0.01 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.68 1rw9 n TRP 215 N -2.89 0.73 -2.74 5.19 2.14 -1.19 -4.59 117.44 114.09 1rw9 n TRP 215 Ca 0.03 -0.74 -0.40 0.00 2.07 0.00 0.00 57.50 58.46 1rw9 n TRP 215 Cb 0.39 -0.20 -0.06 0.00 -0.81 0.00 0.00 31.31 30.63 1rw9 n TRP 215 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1rw9 s GLN 216 N -2.14 4.82 0.34 -2.67 -1.52 -1.02 -4.55 119.66 112.92 1rw9 s GLN 216 Ca 0.34 1.48 -0.29 0.00 -1.95 0.00 0.00 55.36 54.95 1rw9 s GLN 216 Cb 0.25 -3.30 -0.11 0.00 -0.22 0.00 0.00 33.01 29.63 1rw9 s GLN 216 CO 0.11 0.44 1.42 0.71 -0.25 0.00 0.00 175.29 177.72 1rw9 s TYR 217 N -0.88 2.82 0.29 0.91 4.12 -1.26 -4.46 117.35 118.88 1rw9 s TYR 217 Ca 0.43 1.23 0.11 0.00 0.02 0.00 0.00 57.07 58.85 1rw9 s TYR 217 Cb -0.25 -3.87 -0.05 0.00 -1.52 0.00 0.00 41.96 36.26 1rw9 s TYR 217 CO 0.31 -2.55 -0.11 0.14 0.02 0.00 0.00 175.55 173.36 1rw9 s VAL 218 N -0.96 2.73 -0.45 0.71 -7.23 -0.30 -5.01 120.40 109.89 1rw9 s VAL 218 Ca 0.52 -2.21 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 1rw9 s VAL 218 Cb -0.44 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1rw9 s VAL 218 CO 0.56 -0.35 0.56 0.35 -0.31 0.00 0.00 175.10 175.92 1rw9 n THR 219 N -0.75 0.00 -3.83 5.32 -2.24 -1.26 -4.31 114.28 107.21 1rw9 n THR 219 Ca -0.05 -0.49 -0.06 0.00 -2.27 0.00 0.00 64.05 61.17 1rw9 n THR 219 Cb 0.60 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.89 1rw9 n THR 219 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rw9 s SER 220 N -0.46 -0.21 0.61 3.42 1.04 -1.26 -5.14 113.70 111.71 1rw9 s SER 220 Ca 0.04 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1rw9 s SER 220 Cb 0.03 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1rw9 s SER 220 CO 0.06 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1rw9 n GLY 221 N -0.48 0.57 3.77 7.32 0.00 -1.26 -4.79 105.19 110.32 1rw9 n GLY 221 Ca -0.05 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 1rw9 n GLY 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rw9 s ASP 222 N -4.00 6.01 0.00 1.61 1.01 -1.26 -4.74 116.67 115.30 1rw9 s ASP 222 Ca 0.00 0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.55 1rw9 s ASP 222 Cb 0.00 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 41.98 1rw9 s ASP 222 CO 0.00 0.31 0.00 0.61 0.21 0.00 0.00 175.17 176.30 1rw9 n GLY 223 N 2.63 0.72 3.67 0.21 0.00 -0.42 -4.85 105.19 107.16 1rw9 n GLY 223 Ca -0.18 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 1rw9 n GLY 223 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rw9 s ILE 224 N -2.83 5.13 0.31 -0.61 1.01 -1.26 -1.88 121.20 121.07 1rw9 s ILE 224 Ca 0.00 0.93 -0.02 0.00 0.00 0.00 0.00 60.65 61.56 1rw9 s ILE 224 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1rw9 s ILE 224 CO 0.00 0.20 0.53 -0.36 0.00 0.00 0.00 174.94 175.31 1rw9 s PHE 225 N 1.47 3.49 0.53 3.97 0.40 -0.27 -1.15 117.98 126.42 1rw9 s PHE 225 Ca 0.24 0.45 0.33 0.00 -0.60 0.00 0.00 56.93 57.35 1rw9 s PHE 225 Cb -0.15 -1.96 1.85 0.00 0.51 0.00 0.00 43.02 43.27 1rw9 s PHE 225 CO 0.10 0.17 2.22 0.00 0.70 0.00 0.00 175.22 178.40 1rw9 h ARG 226 N 1.25 0.00 -0.07 0.44 3.08 -1.89 0.52 114.38 117.71 1rw9 h ARG 226 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1rw9 h ARG 226 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1rw9 h ARG 226 CO 0.64 0.04 0.00 -0.40 -1.07 0.00 0.00 179.97 179.18 1rw9 n ASP 227 N -3.53 0.54 0.00 7.04 5.68 -1.26 -4.88 116.55 120.14 1rw9 n ASP 227 Ca -0.02 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 1rw9 n ASP 227 Cb 0.14 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1rw9 n ASP 227 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rw9 n GLY 228 N 0.82 1.50 3.70 6.12 0.00 0.18 -4.80 105.19 112.69 1rw9 n GLY 228 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1rw9 n GLY 228 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rw9 n SER 229 N 0.00 1.36 -3.77 1.61 7.64 -1.26 -4.33 113.62 114.88 1rw9 n SER 229 Ca 0.00 0.69 -0.21 0.00 1.01 0.00 0.00 58.87 60.36 1rw9 n SER 229 Cb 0.00 -1.51 -0.17 0.00 -1.01 0.00 0.00 64.21 61.51 1rw9 n SER 229 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1rw9 s PHE 230 N -1.80 0.46 -0.03 1.43 5.36 -1.26 -1.12 117.98 121.02 1rw9 s PHE 230 Ca 0.77 -0.04 0.06 0.00 -0.96 0.00 0.00 56.93 56.77 1rw9 s PHE 230 Cb -0.33 -0.64 -0.02 0.00 -0.34 0.00 0.00 43.02 41.69 1rw9 s PHE 230 CO 0.47 -0.25 -0.21 0.42 -1.46 0.00 0.00 175.22 174.19 1rw9 s ILE 231 N 1.75 2.44 0.06 3.12 1.01 -0.79 -1.01 121.20 127.78 1rw9 s ILE 231 Ca 0.01 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1rw9 s ILE 231 Cb -0.13 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1rw9 s ILE 231 CO -0.04 0.58 -0.15 -1.58 0.00 0.00 0.00 174.94 173.76 1rw9 s GLN 232 N -0.63 0.90 -1.18 2.79 2.00 -1.19 -1.30 119.66 121.05 1rw9 s GLN 232 Ca 0.10 -0.86 -0.01 0.00 -2.00 0.00 0.00 55.36 52.58 1rw9 s GLN 232 Cb -0.10 -0.92 0.00 0.00 0.80 0.00 0.00 33.01 32.78 1rw9 s GLN 232 CO -0.00 0.22 0.17 0.72 -0.50 0.00 0.00 175.29 175.90 1rw9 n HIS 233 N 1.60 -0.97 0.00 1.67 8.25 -1.26 -3.72 115.22 120.80 1rw9 n HIS 233 Ca -0.19 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1rw9 n HIS 233 Cb 0.54 -3.23 0.00 0.00 1.12 0.00 0.00 29.99 28.43 1rw9 n HIS 233 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1rw9 n SER 234 N -0.96 0.00 0.00 0.41 7.64 -1.26 -4.22 113.62 115.23 1rw9 n SER 234 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1rw9 n SER 234 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1rw9 n SER 234 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rw9 n THR 235 N 0.00 0.51 -4.66 0.44 -2.24 -1.26 -4.71 114.28 102.37 1rw9 n THR 235 Ca 0.00 -0.57 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 1rw9 n THR 235 Cb 0.00 0.81 -0.17 0.00 -2.10 0.00 0.00 70.33 68.87 1rw9 n THR 235 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rw9 s THR 236 N -0.51 1.61 0.11 4.28 2.01 -1.24 -0.99 115.64 120.90 1rw9 s THR 236 Ca 0.00 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 60.96 1rw9 s THR 236 Cb 0.00 -1.44 -0.10 0.00 0.01 0.00 0.00 72.50 70.97 1rw9 s THR 236 CO 0.00 0.46 1.76 -2.84 -0.69 0.00 0.00 174.62 173.31 1rw9 s PRO 237 N 0.77 4.16 -0.00 4.92 0.02 -1.26 -3.16 135.00 140.45 1rw9 s PRO 237 Ca -0.11 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1rw9 s PRO 237 Cb -0.16 -3.54 0.00 0.00 0.02 0.00 0.00 34.50 30.82 1rw9 s PRO 237 CO 0.02 -0.79 0.71 0.66 -0.33 0.00 0.00 177.00 177.26 1rw9 n TYR 238 N 5.47 0.00 -0.34 6.54 0.53 -0.18 -4.14 117.16 125.03 1rw9 n TYR 238 Ca 0.17 -0.02 0.16 0.00 -1.02 0.00 0.00 57.90 57.19 1rw9 n TYR 238 Cb 0.39 -0.02 0.37 0.00 -1.03 0.00 0.00 39.34 39.04 1rw9 n TYR 238 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 1rw9 h THR 239 N 4.53 0.64 0.00 -0.72 2.02 -1.52 -0.81 112.91 117.05 1rw9 h THR 239 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1rw9 h THR 239 Cb 1.15 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1rw9 h THR 239 CO 0.00 0.12 -0.11 0.61 0.37 0.00 0.00 175.52 176.51 1rw9 n GLY 240 N -1.35 -1.54 0.75 2.16 0.00 0.77 -2.35 105.19 103.64 1rw9 n GLY 240 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1rw9 n GLY 240 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rw9 n SER 241 N -1.84 0.00 -0.15 1.61 3.41 -1.03 -4.55 113.62 111.07 1rw9 n SER 241 Ca 0.06 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.72 1rw9 n SER 241 Cb 0.38 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.69 1rw9 n SER 241 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1rw9 h TYR 242 N 0.00 0.73 -0.41 7.33 -1.99 -1.78 -1.00 116.97 119.85 1rw9 h TYR 242 Ca 0.00 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 1rw9 h TYR 242 Cb 0.00 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.47 1rw9 h TYR 242 CO 0.00 0.41 -0.00 0.78 -0.00 0.00 0.00 178.16 179.35 1rw9 h GLY 243 N 0.74 0.71 1.33 3.88 0.00 -1.09 -1.97 103.07 106.68 1rw9 h GLY 243 Ca 0.27 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1rw9 h GLY 243 CO -0.08 0.42 -0.04 -2.08 0.00 0.00 0.00 176.54 174.76 1rw9 h VAL 244 N 0.62 1.25 -0.57 4.60 2.07 -0.84 -1.18 116.25 122.21 1rw9 h VAL 244 Ca 0.13 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1rw9 h VAL 244 Cb 0.40 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1rw9 h VAL 244 CO 0.02 0.37 0.35 0.58 0.02 0.00 0.00 177.57 178.91 1rw9 h VAL 245 N 0.74 1.17 -0.14 2.57 2.07 -0.73 0.23 116.25 122.16 1rw9 h VAL 245 Ca 0.14 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1rw9 h VAL 245 Cb 0.51 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1rw9 h VAL 245 CO 0.03 0.17 0.08 0.25 0.02 0.00 0.00 177.57 178.12 1rw9 h LEU 246 N 0.77 0.14 -0.11 2.57 6.46 -1.10 -1.41 115.31 122.62 1rw9 h LEU 246 Ca 0.20 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1rw9 h LEU 246 Cb -0.02 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1rw9 h LEU 246 CO -0.04 0.10 0.03 0.25 -0.62 0.00 0.00 178.44 178.17 1rw9 h LEU 247 N 0.18 0.04 0.29 2.25 5.85 -0.88 -1.10 115.31 121.93 1rw9 h LEU 247 Ca 0.05 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1rw9 h LEU 247 Cb -0.01 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1rw9 h LEU 247 CO -0.02 0.04 -0.18 0.74 -0.34 0.00 0.00 178.44 178.68 1rw9 h THR 248 N 0.09 0.62 -0.64 1.05 2.02 -0.48 -1.23 112.91 114.34 1rw9 h THR 248 Ca 0.05 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 1rw9 h THR 248 Cb 0.03 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1rw9 h THR 248 CO -0.05 0.00 0.05 1.23 0.37 0.00 0.00 175.52 177.11 1rw9 h GLY 249 N -0.46 1.18 1.18 2.16 0.00 -1.07 -2.13 103.07 103.93 1rw9 h GLY 249 Ca -0.03 -0.83 -0.09 0.00 0.00 0.00 0.00 47.33 46.38 1rw9 h GLY 249 CO 0.03 0.77 0.00 1.41 0.00 0.00 0.00 176.54 178.75 1rw9 h LEU 250 N 1.01 0.96 -0.49 3.11 3.38 -1.16 -0.76 115.31 121.36 1rw9 h LEU 250 Ca 0.19 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1rw9 h LEU 250 Cb 0.51 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1rw9 h LEU 250 CO 0.02 1.01 0.21 0.77 0.09 0.00 0.00 178.44 180.55 1rw9 h SER 251 N 0.90 0.28 -0.25 -0.43 4.64 -0.88 0.14 113.55 117.95 1rw9 h SER 251 Ca 0.17 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.41 1rw9 h SER 251 Cb 0.52 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1rw9 h SER 251 CO 0.03 0.19 -0.32 0.11 -0.87 0.00 0.00 176.83 175.97 1rw9 h LYS 252 N 0.42 0.65 -0.27 4.77 1.57 -1.11 -2.27 116.57 120.33 1rw9 h LYS 252 Ca 0.22 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1rw9 h LYS 252 Cb 0.18 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1rw9 h LYS 252 CO -0.19 0.98 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.52 1rw9 h LEU 253 N 0.36 0.54 -0.29 2.94 3.38 -0.98 -0.92 115.31 120.34 1rw9 h LEU 253 Ca 0.03 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1rw9 h LEU 253 Cb 0.90 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1rw9 h LEU 253 CO 0.08 0.79 0.08 -0.26 0.09 0.00 0.00 178.44 179.21 1rw9 h PHE 254 N 0.28 0.14 -0.24 1.13 0.05 -0.77 -1.54 116.94 115.99 1rw9 h PHE 254 Ca 0.07 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.88 1rw9 h PHE 254 Cb 0.56 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.48 1rw9 h PHE 254 CO 0.05 0.05 0.16 1.03 -0.18 0.00 0.00 178.31 179.42 1rw9 h SER 255 N 0.20 0.27 -0.56 2.17 0.87 -1.37 -1.57 113.55 113.56 1rw9 h SER 255 Ca 0.13 -0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.77 1rw9 h SER 255 Cb 0.13 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 1rw9 h SER 255 CO -0.16 0.20 0.22 0.25 -0.53 0.00 0.00 176.83 176.80 1rw9 h LEU 256 N 0.32 0.23 0.00 2.23 5.85 -0.93 -3.11 115.31 119.91 1rw9 h LEU 256 Ca 0.09 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1rw9 h LEU 256 Cb -0.03 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1rw9 h LEU 256 CO -0.02 0.15 -0.68 0.18 -0.34 0.00 0.00 178.44 177.73 1rw9 n LEU 257 N -4.98 0.64 -4.70 2.25 4.77 -0.60 -4.90 117.00 109.48 1rw9 n LEU 257 Ca 0.07 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 1rw9 n LEU 257 Cb 0.23 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1rw9 n LEU 257 CO 0.24 -0.00 1.35 0.61 -1.33 0.00 0.00 177.39 178.26 1rw9 n GLY 258 N 1.37 1.46 2.22 -0.72 0.00 -0.60 -1.94 105.19 106.98 1rw9 n GLY 258 Ca 0.03 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1rw9 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rw9 n GLY 259 N 3.90 0.82 3.92 -0.02 0.00 -1.26 -4.98 105.19 107.57 1rw9 n GLY 259 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1rw9 n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rw9 s THR 260 N -3.19 1.95 0.63 2.61 -4.23 -0.82 -5.00 115.64 107.59 1rw9 s THR 260 Ca 0.00 -1.37 0.44 0.00 -1.18 0.00 0.00 61.69 59.58 1rw9 s THR 260 Cb 0.00 -2.31 0.44 0.00 1.34 0.00 0.00 72.50 71.97 1rw9 s THR 260 CO 0.00 0.00 2.35 0.00 -0.54 0.00 0.00 174.62 176.43 1rw9 h ALA 261 N 0.69 1.00 -0.42 3.99 0.00 -1.95 -2.53 119.26 120.04 1rw9 h ALA 261 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1rw9 h ALA 261 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1rw9 h ALA 261 CO 0.54 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.98 1rw9 n PHE 262 N -3.05 0.74 -1.63 0.00 3.01 -1.26 -5.03 117.46 110.24 1rw9 n PHE 262 Ca -0.03 -0.58 -0.43 0.00 1.01 0.00 0.00 57.45 57.42 1rw9 n PHE 262 Cb 0.07 -0.10 -0.01 0.00 -0.01 0.00 0.00 39.48 39.44 1rw9 n PHE 262 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1rw9 n GLU 263 N 0.58 1.61 -1.98 -1.08 2.13 -0.95 -4.88 120.64 116.06 1rw9 n GLU 263 Ca 0.17 0.57 -0.43 0.00 0.66 0.00 0.00 57.16 58.13 1rw9 n GLU 263 Cb 0.59 -2.04 -0.03 0.00 0.27 0.00 0.00 31.44 30.24 1rw9 n GLU 263 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1rw9 s VAL 264 N -1.11 3.51 -0.20 6.31 1.01 -1.26 -4.84 120.40 123.81 1rw9 s VAL 264 Ca 0.58 0.58 0.02 0.00 0.00 0.00 0.00 61.98 63.16 1rw9 s VAL 264 Cb -0.63 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1rw9 s VAL 264 CO 0.60 -0.19 0.59 -1.54 0.00 0.00 0.00 175.10 174.56 1rw9 n SER 265 N 8.56 1.21 -4.66 3.32 3.41 -1.26 -5.00 113.62 119.20 1rw9 n SER 265 Ca 0.20 -1.13 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 1rw9 n SER 265 Cb 0.44 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 1rw9 n SER 265 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rw9 s ASP 266 N -0.20 6.45 0.54 4.04 -1.08 -1.26 -4.86 116.67 120.30 1rw9 s ASP 266 Ca 0.02 2.67 0.33 0.00 -0.52 0.00 0.00 52.55 55.05 1rw9 s ASP 266 Cb 0.01 -2.53 1.30 0.00 -1.46 0.00 0.00 42.92 40.24 1rw9 s ASP 266 CO 0.02 -1.04 1.96 1.55 0.52 0.00 0.00 175.17 178.18 1rw9 h PRO 267 N 10.35 0.00 0.00 4.34 0.13 -2.04 -2.50 132.00 142.28 1rw9 h PRO 267 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1rw9 h PRO 267 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1rw9 h PRO 267 CO 0.94 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 1rw9 n THR 268 N -3.10 0.48 0.24 1.56 -2.24 -1.26 -2.57 114.28 107.39 1rw9 n THR 268 Ca 0.01 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 1rw9 n THR 268 Cb 0.32 -0.87 0.60 0.00 -2.10 0.00 0.00 70.33 68.28 1rw9 n THR 268 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1rw9 h ARG 269 N 0.00 0.00 -0.91 -0.78 0.11 -1.82 -0.51 114.38 110.47 1rw9 h ARG 269 Ca 0.00 0.00 0.24 0.00 0.10 0.00 0.00 59.98 60.32 1rw9 h ARG 269 Cb 0.11 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.14 1rw9 h ARG 269 CO 0.00 0.00 0.63 0.66 0.10 0.00 0.00 179.97 181.36 1rw9 h SER 270 N 0.00 0.18 -0.53 0.08 4.64 -1.76 -0.82 113.55 115.33 1rw9 h SER 270 Ca 0.00 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1rw9 h SER 270 Cb 0.11 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1rw9 h SER 270 CO 0.00 0.06 0.24 0.40 -0.87 0.00 0.00 176.83 176.67 1rw9 h ILE 271 N 0.17 1.20 -0.54 0.95 2.04 -1.37 0.57 117.51 120.54 1rw9 h ILE 271 Ca 0.46 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1rw9 h ILE 271 Cb 1.52 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1rw9 h ILE 271 CO -0.09 0.23 0.20 0.15 0.00 0.00 0.00 178.15 178.64 1rw9 h PHE 272 N 0.71 0.84 -0.81 1.37 3.57 -1.36 -1.82 116.94 119.45 1rw9 h PHE 272 Ca 0.18 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1rw9 h PHE 272 Cb 0.14 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1rw9 h PHE 272 CO -0.00 0.70 0.37 0.74 -2.23 0.00 0.00 178.31 177.88 1rw9 h PHE 273 N 0.74 1.18 -0.01 0.41 0.04 -1.03 -1.16 116.94 117.11 1rw9 h PHE 273 Ca 0.18 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1rw9 h PHE 273 Cb 0.23 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 1rw9 h PHE 273 CO 0.01 0.87 0.01 -0.44 -0.60 0.00 0.00 178.31 178.16 1rw9 h ASP 274 N 1.16 0.00 1.12 2.17 3.32 -0.59 -2.24 116.42 121.35 1rw9 h ASP 274 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1rw9 h ASP 274 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1rw9 h ASP 274 CO -0.03 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 1rw9 h ALA 275 N 1.99 1.00 -0.04 3.45 0.00 -0.34 -0.57 119.26 124.76 1rw9 h ALA 275 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1rw9 h ALA 275 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1rw9 h ALA 275 CO -0.00 0.00 -0.13 0.28 0.00 0.00 0.00 179.25 179.40 1rw9 h VAL 276 N 0.00 0.68 0.00 0.00 2.07 -1.40 0.12 116.25 117.72 1rw9 h VAL 276 Ca 0.00 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.33 1rw9 h VAL 276 Cb 0.56 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1rw9 h VAL 276 CO 0.00 0.00 -1.46 -0.33 0.02 0.00 0.00 177.57 175.80 1rw9 h GLU 277 N -0.19 0.00 0.00 1.57 5.08 -1.74 0.02 114.58 119.31 1rw9 h GLU 277 Ca 0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1rw9 h GLU 277 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1rw9 h GLU 277 CO -0.15 0.34 -0.77 0.78 -1.00 0.00 0.00 179.01 178.21 1rw9 h GLY 278 N 3.66 0.00 0.00 -3.84 0.00 -1.04 -3.39 103.07 98.47 1rw9 h GLY 278 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1rw9 h GLY 278 CO 0.05 0.00 -1.13 1.44 0.00 0.00 0.00 176.54 176.90 1rw9 n SER 279 N -3.22 0.46 -0.07 0.19 7.64 0.28 -4.48 113.62 114.42 1rw9 n SER 279 Ca -0.00 0.07 -0.17 0.00 1.01 0.00 0.00 58.87 59.78 1rw9 n SER 279 Cb 0.81 -0.18 -0.13 0.00 -1.01 0.00 0.00 64.21 63.71 1rw9 n SER 279 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1rw9 h PHE 280 N -0.17 0.07 -0.87 1.43 -1.00 -1.13 -3.39 116.94 111.88 1rw9 h PHE 280 Ca -0.11 -0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.65 1rw9 h PHE 280 Cb 0.99 -0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.50 1rw9 h PHE 280 CO -0.02 1.21 0.58 0.00 -1.61 0.00 0.00 178.31 178.46 1rw9 h ALA 281 N -0.14 1.43 0.00 2.45 0.00 -1.18 -2.45 119.26 119.37 1rw9 h ALA 281 Ca -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1rw9 h ALA 281 Cb 1.19 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1rw9 h ALA 281 CO -0.05 0.50 -0.12 -1.35 0.00 0.00 0.00 179.25 178.24 1rw9 h PRO 282 N 1.12 0.00 -0.46 0.00 0.11 -1.76 -2.58 132.00 128.43 1rw9 h PRO 282 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1rw9 h PRO 282 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1rw9 h PRO 282 CO -0.09 0.12 0.00 1.33 -0.21 0.00 0.00 178.00 179.15 1rw9 n VAL 283 N -3.37 0.60 -3.27 3.15 0.24 -0.94 -4.87 118.33 109.87 1rw9 n VAL 283 Ca -0.01 -0.78 -0.39 0.00 -2.04 0.00 0.00 64.34 61.13 1rw9 n VAL 283 Cb 0.31 0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 1rw9 n VAL 283 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1rw9 s MET 284 N -1.40 4.26 -0.32 7.34 -1.94 -0.97 -1.00 119.30 125.26 1rw9 s MET 284 Ca 0.41 0.44 0.01 0.00 -1.71 0.00 0.00 55.69 54.83 1rw9 s MET 284 Cb 0.23 -3.50 0.10 0.00 2.01 0.00 0.00 34.83 33.67 1rw9 s MET 284 CO 0.32 -0.01 0.09 0.42 -0.01 0.00 0.00 175.02 175.83 1rw9 s ILE 285 N 1.16 1.30 -1.51 2.53 1.01 0.34 -4.81 121.20 121.22 1rw9 s ILE 285 Ca 0.25 -1.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.06 1rw9 s ILE 285 Cb -0.15 -1.97 0.09 0.00 0.01 0.00 0.00 42.46 40.43 1rw9 s ILE 285 CO 0.10 -0.66 0.85 0.59 0.00 0.00 0.00 174.94 175.82 1rw9 n ASN 286 N 4.63 -4.56 0.00 3.58 3.02 -1.26 -1.44 115.26 119.22 1rw9 n ASN 286 Ca 0.00 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1rw9 n ASN 286 Cb 0.42 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1rw9 n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rw9 n GLY 287 N -1.55 0.56 3.56 7.41 0.00 -1.24 -4.30 105.19 109.64 1rw9 n GLY 287 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1rw9 n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw9 s ALA 288 N -2.22 2.98 0.23 4.61 0.00 -0.52 -3.88 121.76 122.96 1rw9 s ALA 288 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 1rw9 s ALA 288 Cb 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.74 1rw9 s ALA 288 CO 0.00 0.50 1.32 -1.64 0.00 0.00 0.00 175.76 175.94 1rw9 s MET 289 N -0.58 4.38 0.29 0.00 -1.94 -0.18 -0.50 119.30 120.76 1rw9 s MET 289 Ca 0.09 2.10 -0.30 0.00 -1.71 0.00 0.00 55.69 55.87 1rw9 s MET 289 Cb -0.12 -3.17 -0.12 0.00 2.01 0.00 0.00 34.83 33.43 1rw9 s MET 289 CO 0.02 -0.24 1.46 0.00 -0.01 0.00 0.00 175.02 176.24 1rw9 n ALA 290 N 2.27 1.76 0.19 3.03 0.00 -0.17 -4.57 120.51 123.01 1rw9 n ALA 290 Ca 0.05 0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.93 1rw9 n ALA 290 Cb 0.42 -2.35 0.53 0.00 0.00 0.00 0.00 19.45 18.06 1rw9 n ALA 290 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rw9 h ASP 291 N 3.99 0.10 0.46 0.00 3.32 -1.93 -1.84 116.42 120.53 1rw9 h ASP 291 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1rw9 h ASP 291 Cb 1.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1rw9 h ASP 291 CO 0.73 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 178.41 1rw9 n ALA 292 N -2.51 1.49 -1.15 3.45 0.00 -1.26 -1.96 120.51 118.56 1rw9 n ALA 292 Ca -0.02 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.56 1rw9 n ALA 292 Cb 0.15 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 18.49 1rw9 n ALA 292 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rw9 n VAL 293 N -1.93 2.02 -0.68 0.00 0.24 -0.69 -4.62 118.33 112.67 1rw9 n VAL 293 Ca 0.02 -2.36 0.04 0.00 -2.04 0.00 0.00 64.34 59.99 1rw9 n VAL 293 Cb 0.15 -0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.33 1rw9 n VAL 293 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1rw9 n ARG 294 N -1.24 1.80 0.00 7.34 1.85 -0.83 -0.16 116.66 125.42 1rw9 n ARG 294 Ca 0.18 -1.80 0.00 0.00 -1.00 0.00 0.00 57.85 55.23 1rw9 n ARG 294 Cb 0.70 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 31.00 1rw9 n ARG 294 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rw9 n GLY 295 N -0.79 2.74 0.00 2.89 0.00 -1.26 -2.02 105.19 106.76 1rw9 n GLY 295 Ca 0.06 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1rw9 n GLY 295 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rw9 n ARG 296 N 14.00 0.00 0.11 1.61 1.85 -1.25 -3.15 116.66 129.83 1rw9 n ARG 296 Ca 0.00 0.27 0.11 0.00 -1.00 0.00 0.00 57.85 57.23 1rw9 n ARG 296 Cb 0.00 -1.51 0.46 0.00 -1.05 0.00 0.00 32.46 30.37 1rw9 n ARG 296 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1rw9 n SER 297 N -1.51 0.56 0.05 2.89 3.41 -0.86 -2.12 113.62 116.03 1rw9 n SER 297 Ca 0.03 0.64 0.19 0.00 -0.26 0.00 0.00 58.87 59.48 1rw9 n SER 297 Cb 0.16 -0.76 0.71 0.00 -0.26 0.00 0.00 64.21 64.07 1rw9 n SER 297 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1rw9 h ILE 298 N 0.00 0.66 -0.00 -1.33 3.07 -1.72 -1.11 117.51 117.09 1rw9 h ILE 298 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1rw9 h ILE 298 Cb 0.34 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 37.64 1rw9 h ILE 298 CO 0.00 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.56 1rw9 n SER 299 N -4.23 0.00 -4.53 2.16 3.41 -0.90 -4.78 113.62 104.75 1rw9 n SER 299 Ca 0.08 -1.16 -0.40 0.00 -0.26 0.00 0.00 58.87 57.12 1rw9 n SER 299 Cb 0.56 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1rw9 n SER 299 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1rw9 s ARG 300 N -2.00 3.52 0.52 4.33 0.52 -0.42 -4.44 118.95 120.98 1rw9 s ARG 300 Ca 0.40 -0.59 0.19 0.00 -0.52 0.00 0.00 55.73 55.21 1rw9 s ARG 300 Cb 0.18 -3.80 1.33 0.00 0.52 0.00 0.00 34.95 33.18 1rw9 s ARG 300 CO 0.31 -0.45 2.13 1.05 0.02 0.00 0.00 175.30 178.36 1rw9 h GLU 301 N 8.48 0.00 0.00 3.54 4.11 -1.87 -2.98 114.58 125.86 1rw9 h GLU 301 Ca -0.31 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.10 1rw9 h GLU 301 Cb 1.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1rw9 h GLU 301 CO 0.64 0.05 -0.41 0.00 0.07 0.00 0.00 179.01 179.36 1rw9 n ALA 302 N -2.47 3.02 -3.26 1.06 0.00 -1.26 -4.69 120.51 112.91 1rw9 n ALA 302 Ca -0.03 -2.87 -0.24 0.00 0.00 0.00 0.00 53.44 50.30 1rw9 n ALA 302 Cb 0.13 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.10 1rw9 n ALA 302 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rw9 n ASN 303 N -0.98 -0.62 -4.92 0.00 4.05 -1.12 -5.02 115.26 106.65 1rw9 n ASN 303 Ca 0.16 -2.54 -0.21 0.00 0.45 0.00 0.00 54.58 52.45 1rw9 n ASN 303 Cb 0.72 -0.31 0.07 0.00 1.23 0.00 0.00 39.78 41.49 1rw9 n ASN 303 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1rw9 s THR 304 N -0.20 2.28 0.41 -0.44 -4.23 -1.26 -4.61 115.64 107.60 1rw9 s THR 304 Ca 0.33 -0.86 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 1rw9 s THR 304 Cb 0.08 -2.43 0.27 0.00 1.34 0.00 0.00 72.50 71.77 1rw9 s THR 304 CO -0.16 0.00 2.05 1.23 -0.54 0.00 0.00 174.62 177.20 1rw9 h GLY 305 N 0.02 0.57 1.31 3.99 0.00 -1.93 -1.63 103.07 105.41 1rw9 h GLY 305 Ca -0.34 -0.21 -0.23 0.00 0.00 0.00 0.00 47.33 46.55 1rw9 h GLY 305 CO 0.42 0.20 -0.87 -0.97 0.00 0.00 0.00 176.54 175.32 1rw9 h TYR 306 N 0.53 0.91 -0.48 5.60 -1.99 -1.86 0.71 116.97 120.40 1rw9 h TYR 306 Ca 0.16 -0.44 0.03 0.00 2.00 0.00 0.00 58.73 60.48 1rw9 h TYR 306 Cb 0.01 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.58 1rw9 h TYR 306 CO -0.00 1.26 0.27 -0.44 -0.00 0.00 0.00 178.16 179.25 1rw9 h ASP 307 N 0.41 0.42 -0.21 3.88 3.32 -1.79 -0.03 116.42 122.42 1rw9 h ASP 307 Ca -0.07 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 1rw9 h ASP 307 Cb 1.50 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1rw9 h ASP 307 CO 0.17 0.30 -0.60 -0.07 -1.72 0.00 0.00 179.24 177.31 1rw9 h LEU 308 N 0.54 0.90 -0.90 1.55 3.38 -1.28 -1.84 115.31 117.65 1rw9 h LEU 308 Ca 0.20 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1rw9 h LEU 308 Cb 0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1rw9 h LEU 308 CO -0.11 1.32 0.41 1.23 0.09 0.00 0.00 178.44 181.38 1rw9 h GLY 309 N 0.52 1.28 1.04 0.83 0.00 -0.77 -0.83 103.07 105.15 1rw9 h GLY 309 Ca -0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1rw9 h GLY 309 CO 0.13 0.60 0.24 0.00 0.00 0.00 0.00 176.54 177.51 1rw9 h ALA 310 N 1.26 0.95 -0.74 3.60 0.00 -0.88 -0.35 119.26 123.10 1rw9 h ALA 310 Ca 0.29 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1rw9 h ALA 310 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1rw9 h ALA 310 CO -0.04 0.62 0.25 0.77 0.00 0.00 0.00 179.25 180.85 1rw9 h SER 311 N 1.06 1.06 -0.66 0.00 0.02 -0.97 -0.81 113.55 113.26 1rw9 h SER 311 Ca 0.24 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1rw9 h SER 311 Cb 0.28 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1rw9 h SER 311 CO -0.01 0.98 0.40 0.00 -1.14 0.00 0.00 176.83 177.06 1rw9 h ALA 312 N 1.13 0.84 -0.17 3.77 0.00 -0.56 -1.45 119.26 122.82 1rw9 h ALA 312 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1rw9 h ALA 312 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rw9 h ALA 312 CO -0.01 0.31 0.07 0.82 0.00 0.00 0.00 179.25 180.44 1rw9 h ILE 313 N 0.89 1.15 -0.52 0.00 2.04 -0.79 -0.23 117.51 120.05 1rw9 h ILE 313 Ca 0.24 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.74 1rw9 h ILE 313 Cb -0.03 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1rw9 h ILE 313 CO -0.04 0.14 0.15 -0.08 0.00 0.00 0.00 178.15 178.31 1rw9 h GLU 314 N 0.13 0.29 -0.18 2.37 4.81 -0.95 -0.34 114.58 120.71 1rw9 h GLU 314 Ca 0.06 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1rw9 h GLU 314 Cb 0.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1rw9 h GLU 314 CO -0.01 0.19 0.05 0.00 -0.73 0.00 0.00 179.01 178.52 1rw9 h ALA 315 N 1.38 0.24 -0.63 2.92 0.00 -0.93 -0.83 119.26 121.41 1rw9 h ALA 315 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rw9 h ALA 315 Cb 0.32 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1rw9 h ALA 315 CO -0.30 -0.13 0.38 0.82 0.00 0.00 0.00 179.25 180.01 1rw9 h ILE 316 N 0.12 1.19 -0.52 0.00 2.04 -0.77 -0.58 117.51 118.98 1rw9 h ILE 316 Ca 0.06 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1rw9 h ILE 316 Cb 0.24 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1rw9 h ILE 316 CO -0.00 0.19 0.33 -0.07 0.00 0.00 0.00 178.15 178.60 1rw9 h LEU 317 N 0.85 0.54 -0.48 1.44 3.38 -0.89 -0.09 115.31 120.06 1rw9 h LEU 317 Ca 0.23 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1rw9 h LEU 317 Cb -0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1rw9 h LEU 317 CO -0.04 0.38 0.18 0.25 0.09 0.00 0.00 178.44 179.30 1rw9 h LEU 318 N 0.65 0.67 -1.00 1.67 5.85 -0.77 -2.84 115.31 119.54 1rw9 h LEU 318 Ca 0.21 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1rw9 h LEU 318 Cb -0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1rw9 h LEU 318 CO -0.08 0.67 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.35 1rw9 h LEU 319 N 0.63 0.39 -2.03 2.25 3.38 -0.89 -2.88 115.31 116.17 1rw9 h LEU 319 Ca 0.16 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1rw9 h LEU 319 Cb 0.21 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1rw9 h LEU 319 CO -0.01 0.66 0.04 0.00 0.09 0.00 0.00 178.44 179.22 1rw9 h ALA 320 N 1.37 2.02 -0.25 1.53 0.00 -0.76 -2.24 119.26 120.93 1rw9 h ALA 320 Ca 0.05 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1rw9 h ALA 320 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1rw9 h ALA 320 CO 0.05 -0.07 0.20 0.00 0.00 0.00 0.00 179.25 179.43 1rw9 h ARG 321 N 0.00 0.00 -0.03 0.00 3.08 -1.51 -2.41 114.38 113.51 1rw9 h ARG 321 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1rw9 h ARG 321 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1rw9 h ARG 321 CO -0.00 0.00 -0.10 0.00 -1.07 0.00 0.00 179.97 178.80 1rw9 n ALA 322 N -2.52 2.71 -2.13 0.04 0.00 -0.84 -5.00 120.51 112.77 1rw9 n ALA 322 Ca 0.03 -0.65 -0.28 0.00 0.00 0.00 0.00 53.44 52.54 1rw9 n ALA 322 Cb 0.35 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.96 1rw9 n ALA 322 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rw9 s MET 323 N -2.11 3.29 0.81 0.00 -1.94 -0.91 -5.06 119.30 113.38 1rw9 s MET 323 Ca 0.27 0.21 -0.14 0.00 -1.71 0.00 0.00 55.69 54.32 1rw9 s MET 323 Cb 0.20 -2.28 0.07 0.00 2.01 0.00 0.00 34.83 34.82 1rw9 s MET 323 CO 0.36 -0.48 1.08 -0.40 -0.01 0.00 0.00 175.02 175.58 1rw9 n ASP 324 N -2.48 0.60 -0.27 3.03 5.68 -1.26 -4.66 116.55 117.19 1rw9 n ASP 324 Ca 0.03 0.57 -0.01 0.00 -0.50 0.00 0.00 54.79 54.88 1rw9 n ASP 324 Cb 0.56 -1.46 0.11 0.00 -1.14 0.00 0.00 41.12 39.19 1rw9 n ASP 324 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1rw9 h PRO 325 N -0.89 0.81 -0.39 0.11 0.11 -1.97 -0.18 132.00 129.60 1rw9 h PRO 325 Ca -0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1rw9 h PRO 325 Cb 1.30 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1rw9 h PRO 325 CO 0.45 0.54 0.11 0.00 -0.21 0.00 0.00 178.00 178.88 1rw9 h ALA 326 N 1.36 0.52 -0.44 -0.75 0.00 -1.99 -0.13 119.26 117.83 1rw9 h ALA 326 Ca 0.33 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1rw9 h ALA 326 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rw9 h ALA 326 CO -0.16 0.18 -0.10 1.15 0.00 0.00 0.00 179.25 180.32 1rw9 h THR 327 N 0.49 1.27 -0.19 0.00 2.02 -1.79 -1.46 112.91 113.25 1rw9 h THR 327 Ca 0.13 -1.21 0.02 0.00 0.77 0.00 0.00 66.41 66.11 1rw9 h THR 327 Cb 0.29 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1rw9 h THR 327 CO -0.00 0.41 0.07 0.00 0.37 0.00 0.00 175.52 176.38 1rw9 h ALA 328 N 0.87 0.22 -0.40 6.16 0.00 -0.94 0.40 119.26 125.57 1rw9 h ALA 328 Ca 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1rw9 h ALA 328 Cb 0.64 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1rw9 h ALA 328 CO 0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 179.25 178.85 1rw9 h ALA 329 N 1.11 1.08 -0.15 0.00 0.00 -0.94 -0.85 119.26 119.51 1rw9 h ALA 329 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1rw9 h ALA 329 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rw9 h ALA 329 CO -0.08 0.57 0.07 -0.09 0.00 0.00 0.00 179.25 179.72 1rw9 h ARG 330 N 0.64 0.22 -0.68 0.00 9.65 -0.76 0.11 114.38 123.55 1rw9 h ARG 330 Ca 0.11 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1rw9 h ARG 330 Cb 0.54 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.05 1rw9 h ARG 330 CO 0.03 0.27 0.31 -1.49 2.80 0.00 0.00 179.97 181.89 1rw9 h TRP 331 N 0.11 1.00 -0.66 2.20 4.06 -0.80 -0.49 115.95 121.37 1rw9 h TRP 331 Ca 0.05 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 1rw9 h TRP 331 Cb 0.12 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 27.94 1rw9 h TRP 331 CO -0.03 0.76 0.40 0.00 -3.56 0.00 0.00 178.44 176.01 1rw9 h ARG 332 N 0.95 0.90 -0.67 0.49 3.08 -1.05 -1.06 114.38 117.02 1rw9 h ARG 332 Ca 0.23 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1rw9 h ARG 332 Cb 0.15 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1rw9 h ARG 332 CO -0.03 0.64 0.34 0.78 -1.07 0.00 0.00 179.97 180.63 1rw9 h GLY 333 N 0.90 1.03 0.43 0.04 0.00 -0.37 0.11 103.07 105.21 1rw9 h GLY 333 Ca 0.24 -0.50 0.07 0.00 0.00 0.00 0.00 47.33 47.14 1rw9 h GLY 333 CO -0.04 0.47 0.03 1.41 0.00 0.00 0.00 176.54 178.41 1rw9 h LEU 334 N 0.93 -0.09 -0.53 3.11 3.38 -0.78 -0.33 115.31 120.99 1rw9 h LEU 334 Ca 0.23 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 1rw9 h LEU 334 Cb 0.09 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1rw9 h LEU 334 CO -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 178.44 178.45 1rw9 h ALA 336 N 0.94 1.41 -0.26 0.00 0.00 -0.52 -0.00 119.26 120.84 1rw9 h ALA 336 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rw9 h ALA 336 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1rw9 h ALA 336 CO 0.03 0.44 -0.01 0.78 0.00 0.00 0.00 179.25 180.49 1rw9 h GLY 337 N 0.84 0.50 1.96 0.00 0.00 -0.89 -0.16 103.07 105.32 1rw9 h GLY 337 Ca 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1rw9 h GLY 337 CO -0.01 0.35 -0.09 1.49 0.00 0.00 0.00 176.54 178.27 1rw9 h TRP 338 N 0.23 0.05 0.04 5.60 6.55 -0.88 -1.44 115.95 126.10 1rw9 h TRP 338 Ca 0.07 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.91 1rw9 h TRP 338 Cb 0.44 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 1rw9 h TRP 338 CO 0.04 0.14 -0.02 0.82 -1.05 0.00 0.00 178.44 178.37 1rw9 h ILE 339 N 0.05 1.35 -0.40 1.49 2.04 -0.97 -3.27 117.51 117.79 1rw9 h ILE 339 Ca 0.01 -1.58 -0.07 0.00 1.00 0.00 0.00 64.86 64.21 1rw9 h ILE 339 Cb 0.19 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 1rw9 h ILE 339 CO 0.01 0.38 -0.06 0.00 0.00 0.00 0.00 178.15 178.48 1rw9 h ALA 340 N 0.06 1.14 0.00 1.87 0.00 -0.75 -2.51 119.26 119.08 1rw9 h ALA 340 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rw9 h ALA 340 Cb 0.67 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rw9 h ALA 340 CO 0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1rw9 h ARG 341 N 0.63 0.00 -4.56 0.00 3.08 -1.44 -3.40 114.38 108.68 1rw9 h ARG 341 Ca 0.12 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.44 1rw9 h ARG 341 Cb 0.48 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.32 1rw9 h ARG 341 CO 0.03 0.00 0.52 0.34 -1.07 0.00 0.00 179.97 179.79 1rw9 s ASP 342 N -5.45 6.65 0.00 7.04 2.15 -0.95 -4.76 116.67 121.36 1rw9 s ASP 342 Ca 0.07 -2.25 0.27 0.00 0.43 0.00 0.00 52.55 51.07 1rw9 s ASP 342 Cb 0.08 -2.32 0.82 0.00 -0.30 0.00 0.00 42.92 41.20 1rw9 s ASP 342 CO 0.60 -0.88 1.61 0.35 -0.17 0.00 0.00 175.17 176.67 1rw9 n THR 343 N 4.93 0.00 -0.02 1.71 -2.24 -1.26 -3.96 114.28 113.44 1rw9 n THR 343 Ca 0.18 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.58 1rw9 n THR 343 Cb 0.48 0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 69.03 1rw9 n THR 343 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1rw9 h TYR 344 N 1.60 0.36 -2.20 4.78 3.20 -1.96 -3.40 116.97 119.35 1rw9 h TYR 344 Ca 0.00 -0.26 -0.58 0.00 3.14 0.00 0.00 58.73 61.03 1rw9 h TYR 344 Cb 0.51 -0.01 -0.40 0.00 1.54 0.00 0.00 36.73 38.37 1rw9 h TYR 344 CO 0.00 1.68 -0.89 0.54 -1.64 0.00 0.00 178.16 177.85 1rw9 n ARG 345 N -3.80 1.29 -1.59 1.82 5.12 -1.26 -5.07 116.66 113.16 1rw9 n ARG 345 Ca -0.31 -3.76 -0.46 0.00 -1.93 0.00 0.00 57.85 51.38 1rw9 n ARG 345 Cb 0.93 -1.68 -0.03 0.00 -1.16 0.00 0.00 32.46 30.53 1rw9 n ARG 345 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1rw9 n PRO 346 N 1.47 1.35 0.25 5.56 -0.02 -1.25 -4.82 135.00 137.54 1rw9 n PRO 346 Ca 0.25 0.48 0.08 0.00 -2.02 0.00 0.00 63.50 62.28 1rw9 n PRO 346 Cb 0.47 -1.94 0.62 0.00 -0.02 0.00 0.00 33.50 32.63 1rw9 n PRO 346 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1rw9 h ILE 347 N 2.41 1.02 0.00 4.25 2.10 -1.89 -1.73 117.51 123.68 1rw9 h ILE 347 Ca -0.42 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.45 1rw9 h ILE 347 Cb 1.33 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 1rw9 h ILE 347 CO 0.67 0.02 0.00 -0.07 -1.08 0.00 0.00 178.15 177.69 1rw9 h LEU 348 N 0.02 0.00 -9.38 2.19 3.38 -1.98 -3.37 115.31 106.16 1rw9 h LEU 348 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1rw9 h LEU 348 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rw9 h LEU 348 CO 0.00 0.00 0.91 0.20 0.09 0.00 0.00 178.44 179.64 1rw9 s ASN 349 N -5.59 6.76 -0.61 -0.43 0.01 -0.65 -2.41 114.94 112.00 1rw9 s ASN 349 Ca 0.06 2.23 0.00 0.00 -0.71 0.00 0.00 52.86 54.43 1rw9 s ASN 349 Cb 0.08 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.18 1rw9 s ASN 349 CO 0.59 -0.79 0.00 -1.20 -1.51 0.00 0.00 177.10 174.19 1rw9 n SER 350 N 5.64 -5.41 -4.76 -1.22 7.64 -1.26 -4.98 113.62 109.26 1rw9 n SER 350 Ca 0.14 0.14 -0.38 0.00 1.01 0.00 0.00 58.87 59.78 1rw9 n SER 350 Cb 0.43 -3.42 0.01 0.00 -1.01 0.00 0.00 64.21 60.21 1rw9 n SER 350 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rw9 s ALA 351 N -1.65 3.04 1.06 -0.43 0.00 -1.01 -5.03 121.76 117.74 1rw9 s ALA 351 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1rw9 s ALA 351 Cb 0.00 -3.47 0.23 0.00 0.00 0.00 0.00 23.12 19.88 1rw9 s ALA 351 CO 0.00 -0.91 1.06 -1.54 0.00 0.00 0.00 175.76 174.38 1rw9 s SER 352 N -1.03 1.89 0.09 0.00 1.04 -1.26 -4.51 113.70 109.92 1rw9 s SER 352 Ca 0.63 1.54 -0.21 0.00 0.48 0.00 0.00 55.95 58.39 1rw9 s SER 352 Cb -0.35 -2.24 -0.11 0.00 0.10 0.00 0.00 66.02 63.42 1rw9 s SER 352 CO 0.43 -3.64 1.65 0.58 0.98 0.00 0.00 173.24 173.25 1rw9 h VAL 353 N -2.24 1.12 -0.69 5.02 2.07 -1.85 -0.79 116.25 118.89 1rw9 h VAL 353 Ca -0.56 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 66.68 1rw9 h VAL 353 Cb 1.32 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1rw9 h VAL 353 CO 0.51 0.11 0.36 -0.65 0.02 0.00 0.00 177.57 177.92 1rw9 h PRO 354 N 0.08 0.62 -0.36 1.57 0.11 -1.84 -0.48 132.00 131.69 1rw9 h PRO 354 Ca 0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1rw9 h PRO 354 Cb 0.12 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1rw9 h PRO 354 CO -0.01 0.41 0.09 -0.09 -0.21 0.00 0.00 178.00 178.19 1rw9 h ARG 355 N 0.63 0.58 -0.50 1.05 2.43 -1.89 -1.86 114.38 114.82 1rw9 h ARG 355 Ca 0.33 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1rw9 h ARG 355 Cb 0.28 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 1rw9 h ARG 355 CO -0.23 0.61 0.24 1.15 -1.51 0.00 0.00 179.97 180.23 1rw9 h THR 356 N 0.43 0.93 -0.65 0.20 2.02 -0.70 -1.08 112.91 114.07 1rw9 h THR 356 Ca 0.11 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1rw9 h THR 356 Cb 0.30 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1rw9 h THR 356 CO 0.00 0.08 0.41 0.00 0.37 0.00 0.00 175.52 176.38 1rw9 h ALA 357 N 1.28 0.84 -0.53 6.16 0.00 -0.81 0.34 119.26 126.55 1rw9 h ALA 357 Ca 0.23 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1rw9 h ALA 357 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1rw9 h ALA 357 CO -0.17 0.18 -0.12 -0.07 0.00 0.00 0.00 179.25 179.07 1rw9 h LEU 358 N 0.81 0.99 -0.48 0.00 3.38 -0.93 0.29 115.31 119.37 1rw9 h LEU 358 Ca 0.25 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1rw9 h LEU 358 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1rw9 h LEU 358 CO -0.09 1.11 0.10 0.58 0.09 0.00 0.00 178.44 180.23 1rw9 h VAL 359 N 0.88 1.24 -0.58 1.22 2.07 -0.88 -1.03 116.25 119.17 1rw9 h VAL 359 Ca 0.14 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1rw9 h VAL 359 Cb 0.67 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1rw9 h VAL 359 CO 0.05 0.31 0.22 0.11 0.02 0.00 0.00 177.57 178.28 1rw9 h LYS 360 N 0.66 0.88 -0.32 1.57 1.79 -0.74 -1.38 116.57 119.02 1rw9 h LYS 360 Ca 0.15 -0.17 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1rw9 h LYS 360 Cb 0.35 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1rw9 h LYS 360 CO 0.00 0.76 0.21 0.37 -1.08 0.00 0.00 179.45 179.72 1rw9 h GLN 361 N 0.81 0.42 -0.02 3.15 4.15 -0.81 -1.30 115.11 121.51 1rw9 h GLN 361 Ca 0.19 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.61 1rw9 h GLN 361 Cb 0.22 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1rw9 h GLN 361 CO -0.01 0.27 -0.15 1.25 -1.93 0.00 0.00 178.83 178.26 1rw9 h LEU 362 N 0.43 -0.43 -0.89 -2.39 5.85 -0.93 -2.03 115.31 114.92 1rw9 h LEU 362 Ca 0.12 0.07 0.13 0.00 0.84 0.00 0.00 57.88 59.04 1rw9 h LEU 362 Cb -0.04 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 1rw9 h LEU 362 CO -0.03 -0.20 0.51 -0.08 -0.34 0.00 0.00 178.44 178.29 1rw9 h GLU 363 N -0.23 0.75 0.00 1.25 4.81 -1.01 -2.55 114.58 117.60 1rw9 h GLU 363 Ca 0.06 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1rw9 h GLU 363 Cb 0.31 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1rw9 h GLU 363 CO -0.16 0.50 -0.30 0.00 -0.73 0.00 0.00 179.01 178.32 1rw9 h ALA 364 N 1.53 1.06 0.00 2.92 0.00 -0.67 -1.47 119.26 122.62 1rw9 h ALA 364 Ca 0.46 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rw9 h ALA 364 Cb 0.54 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rw9 h ALA 364 CO -0.30 0.37 -0.02 1.79 0.00 0.00 0.00 179.25 181.08 1rw9 h THR 365 N 0.00 0.30 0.00 0.00 1.35 -0.94 -3.46 112.91 110.16 1rw9 h THR 365 Ca -0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1rw9 h THR 365 Cb 0.77 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1rw9 h THR 365 CO 0.04 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1rw9 n GLY 366 N -1.03 0.07 3.67 5.82 0.00 -0.55 -4.97 105.19 108.20 1rw9 n GLY 366 Ca -0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.53 1rw9 n GLY 366 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rw9 n VAL 367 N -2.08 0.23 -2.30 1.61 0.31 -1.26 -4.95 118.33 109.90 1rw9 n VAL 367 Ca 0.00 -0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 63.96 1rw9 n VAL 367 Cb 0.33 -1.67 -0.01 0.00 -0.91 0.00 0.00 33.84 31.57 1rw9 n VAL 367 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rw9 s ALA 368 N 2.17 2.84 0.26 3.52 0.00 -1.26 -4.84 121.76 124.44 1rw9 s ALA 368 Ca 0.84 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 1rw9 s ALA 368 Cb -0.68 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.12 1rw9 s ALA 368 CO 0.43 -0.53 1.16 -1.25 0.00 0.00 0.00 175.76 175.57 1rw9 s PRO 369 N -3.74 4.56 -0.19 0.00 0.04 -1.26 -4.35 135.00 130.05 1rw9 s PRO 369 Ca 0.64 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.45 1rw9 s PRO 369 Cb -0.15 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1rw9 s PRO 369 CO 0.29 0.07 0.17 0.08 0.04 0.00 0.00 177.00 177.65 1rw9 s VAL 370 N -0.81 5.38 0.54 -0.36 1.01 -0.22 -4.82 120.40 121.13 1rw9 s VAL 370 Ca 0.48 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 1rw9 s VAL 370 Cb -0.33 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1rw9 s VAL 370 CO 0.41 0.42 1.09 0.00 0.00 0.00 0.00 175.10 177.02 1rw9 s ALA 371 N 0.46 2.74 -0.07 5.51 0.00 -1.26 -4.34 121.76 124.80 1rw9 s ALA 371 Ca 0.10 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1rw9 s ALA 371 Cb -0.12 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1rw9 s ALA 371 CO -0.00 -0.66 1.34 -1.21 0.00 0.00 0.00 175.76 175.23 1rw9 s GLU 372 N -3.43 4.27 0.32 0.00 2.02 -1.26 -4.98 118.70 115.65 1rw9 s GLU 372 Ca 0.69 1.82 -0.29 0.00 0.02 0.00 0.00 54.97 57.22 1rw9 s GLU 372 Cb -0.20 -3.68 -0.10 0.00 0.10 0.00 0.00 34.13 30.25 1rw9 s GLU 372 CO 0.27 -0.62 1.38 0.00 0.02 0.00 0.00 175.26 176.31 1rw9 s ALA 373 N 2.89 3.55 0.69 5.21 0.00 -1.26 -4.99 121.76 127.84 1rw9 s ALA 373 Ca 0.60 1.35 -0.15 0.00 0.00 0.00 0.00 51.96 53.76 1rw9 s ALA 373 Cb -0.27 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.34 1rw9 s ALA 373 CO 0.22 -0.76 1.15 0.95 0.00 0.00 0.00 175.76 177.32 1rw9 s THR 374 N -0.86 2.81 0.00 0.00 -4.23 -1.26 -4.70 115.64 107.39 1rw9 s THR 374 Ca 0.52 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1rw9 s THR 374 Cb -0.42 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1rw9 s THR 374 CO 0.53 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 1rw9 n GLY 375 N -0.07 0.29 3.28 3.99 0.00 -0.38 -4.88 105.19 107.41 1rw9 n GLY 375 Ca 0.12 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1rw9 n GLY 375 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rw9 s HIS 376 N 0.00 2.24 -0.15 1.61 0.09 -1.26 -0.51 115.29 117.31 1rw9 s HIS 376 Ca 0.00 -0.50 -0.01 0.00 -0.00 0.00 0.00 55.06 54.55 1rw9 s HIS 376 Cb 0.00 -1.45 0.04 0.00 -0.00 0.00 0.00 32.58 31.17 1rw9 s HIS 376 CO 0.00 -0.09 -0.01 0.15 -0.00 0.00 0.00 174.74 174.79 1rw9 s LYS 377 N -0.45 0.98 -0.09 1.40 -0.14 -0.18 -5.02 119.74 116.25 1rw9 s LYS 377 Ca 0.06 -0.34 -0.02 0.00 -1.36 0.00 0.00 55.97 54.30 1rw9 s LYS 377 Cb -0.11 -1.81 -0.03 0.00 -1.68 0.00 0.00 37.83 34.20 1rw9 s LYS 377 CO 0.00 -0.47 0.02 -0.51 -0.76 0.00 0.00 175.35 173.63 1rw9 s LEU 378 N 1.78 3.69 -0.56 3.17 1.43 -1.26 -0.82 118.68 126.12 1rw9 s LEU 378 Ca 0.01 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1rw9 s LEU 378 Cb -0.15 -1.85 0.23 0.00 0.03 0.00 0.00 46.19 44.45 1rw9 s LEU 378 CO -0.07 0.38 0.61 0.49 0.23 0.00 0.00 176.35 177.99 1rw9 n PHE 379 N 2.12 2.03 0.04 0.29 3.01 0.25 -4.96 117.46 120.23 1rw9 n PHE 379 Ca -0.19 -3.93 0.11 0.00 1.01 0.00 0.00 57.45 54.45 1rw9 n PHE 379 Cb 0.54 -0.44 0.55 0.00 -0.01 0.00 0.00 39.48 40.12 1rw9 n PHE 379 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1rw9 h PRO 380 N 4.41 0.26 0.00 -1.08 0.11 -1.88 -1.84 132.00 131.98 1rw9 h PRO 380 Ca 0.16 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 1rw9 h PRO 380 Cb 0.76 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1rw9 h PRO 380 CO 0.67 0.17 -0.15 0.00 -0.21 0.00 0.00 178.00 178.48 1rw9 h ALA 381 N 1.79 1.46 -0.17 -0.75 0.00 -1.94 -2.88 119.26 116.78 1rw9 h ALA 381 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rw9 h ALA 381 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rw9 h ALA 381 CO -0.03 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1rw9 n MET 382 N -3.93 2.55 -3.74 0.00 0.00 -0.74 -4.97 117.12 106.30 1rw9 n MET 382 Ca -0.02 -2.31 -0.24 0.00 0.00 0.00 0.00 57.70 55.13 1rw9 n MET 382 Cb 0.24 -1.45 0.04 0.00 0.00 0.00 0.00 33.22 32.05 1rw9 n MET 382 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1rw9 n ASP 383 N -0.46 -2.74 -4.03 3.17 8.00 -0.90 -4.69 116.55 114.90 1rw9 n ASP 383 Ca 0.13 -0.77 -0.16 0.00 0.71 0.00 0.00 54.79 54.71 1rw9 n ASP 383 Cb 0.59 -4.16 -0.13 0.00 -0.02 0.00 0.00 41.12 37.39 1rw9 n ASP 383 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1rw9 s ARG 384 N -6.15 0.56 0.06 -1.24 1.81 -1.09 -3.04 118.95 109.85 1rw9 s ARG 384 Ca 0.25 -0.50 0.02 0.00 -1.72 0.00 0.00 55.73 53.77 1rw9 s ARG 384 Cb -0.12 -0.46 -0.03 0.00 -0.45 0.00 0.00 34.95 33.89 1rw9 s ARG 384 CO 0.80 0.11 -0.07 0.95 -0.68 0.00 0.00 175.30 176.42 1rw9 s THR 385 N -0.73 0.54 -0.01 0.02 -4.23 -1.24 -0.59 115.64 109.41 1rw9 s THR 385 Ca -0.03 -1.33 0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1rw9 s THR 385 Cb -0.06 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.85 1rw9 s THR 385 CO 0.00 -0.55 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.34 1rw9 s MET 386 N -2.28 1.25 -0.02 3.99 -1.94 0.00 -2.12 119.30 118.18 1rw9 s MET 386 Ca -0.04 -0.53 -0.01 0.00 -1.71 0.00 0.00 55.69 53.40 1rw9 s MET 386 Cb -0.05 -1.19 0.02 0.00 2.01 0.00 0.00 34.83 35.61 1rw9 s MET 386 CO -0.02 0.31 0.04 -1.01 -0.01 0.00 0.00 175.02 174.34 1rw9 s HIS 387 N -0.31 -0.03 0.04 -0.03 3.76 -0.07 -1.01 115.29 117.65 1rw9 s HIS 387 Ca 0.05 0.15 0.05 0.00 -0.15 0.00 0.00 55.06 55.16 1rw9 s HIS 387 Cb -0.06 -0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.51 1rw9 s HIS 387 CO -0.00 -0.06 -0.14 1.03 -0.85 0.00 0.00 174.74 174.71 1rw9 s ARG 388 N 0.55 0.94 0.33 1.40 0.52 0.34 0.13 118.95 123.16 1rw9 s ARG 388 Ca -0.04 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1rw9 s ARG 388 Cb -0.06 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.45 1rw9 s ARG 388 CO -0.02 0.24 0.42 0.41 0.02 0.00 0.00 175.30 176.37 1rw9 n GLY 389 N 1.89 2.33 3.63 -3.53 0.00 -0.79 -1.25 105.19 107.47 1rw9 n GLY 389 Ca -0.18 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1rw9 n GLY 389 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rw9 s PRO 390 N -2.87 3.60 0.00 1.61 0.02 -1.26 -1.46 135.00 134.64 1rw9 s PRO 390 Ca 0.30 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1rw9 s PRO 390 Cb -0.00 -4.27 0.00 0.00 0.02 0.00 0.00 34.50 30.24 1rw9 s PRO 390 CO 0.21 -1.57 0.00 0.41 -0.33 0.00 0.00 177.00 175.73 1rw9 n GLY 391 N 5.19 0.72 3.31 0.52 0.00 -1.26 -4.95 105.19 108.71 1rw9 n GLY 391 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1rw9 n GLY 391 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1rw9 s TRP 392 N -2.70 -0.22 -0.03 1.61 1.48 -0.53 -3.96 118.94 114.59 1rw9 s TRP 392 Ca 0.00 0.06 -0.01 0.00 -1.06 0.00 0.00 56.10 55.09 1rw9 s TRP 392 Cb 0.00 0.21 0.03 0.00 -1.16 0.00 0.00 33.47 32.55 1rw9 s TRP 392 CO 0.00 -0.61 0.04 0.00 -4.06 0.00 0.00 176.95 172.33 1rw9 s ALA 393 N -2.96 0.22 -0.19 2.67 0.00 -0.01 -1.88 121.76 119.61 1rw9 s ALA 393 Ca -0.02 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 1rw9 s ALA 393 Cb 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1rw9 s ALA 393 CO -0.06 -0.33 0.22 -1.17 0.00 0.00 0.00 175.76 174.43 1rw9 s LEU 394 N 1.71 4.21 -0.19 0.00 2.96 0.12 -0.29 118.68 127.20 1rw9 s LEU 394 Ca -0.01 0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1rw9 s LEU 394 Cb -0.12 -2.25 0.01 0.00 0.50 0.00 0.00 46.19 44.33 1rw9 s LEU 394 CO -0.03 0.11 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.41 1rw9 s SER 395 N 0.54 3.53 -0.10 3.68 0.15 -0.40 -0.89 113.70 120.20 1rw9 s SER 395 Ca 0.12 -0.55 -0.10 0.00 0.70 0.00 0.00 55.95 56.12 1rw9 s SER 395 Cb -0.12 -1.56 -0.05 0.00 -1.71 0.00 0.00 66.02 62.58 1rw9 s SER 395 CO 0.02 0.01 0.22 -0.76 1.20 0.00 0.00 173.24 173.93 1rw9 s LEU 396 N 1.25 4.37 -0.28 3.45 1.43 -0.90 -1.32 118.68 126.69 1rw9 s LEU 396 Ca 0.03 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 1rw9 s LEU 396 Cb -0.14 -2.24 0.07 0.00 0.03 0.00 0.00 46.19 43.92 1rw9 s LEU 396 CO -0.08 0.33 -0.08 0.00 0.23 0.00 0.00 176.35 176.75 1rw9 s ALA 397 N -0.71 2.64 0.53 4.21 0.00 -0.70 -3.61 121.76 124.12 1rw9 s ALA 397 Ca 0.17 -1.93 0.06 0.00 0.00 0.00 0.00 51.96 50.25 1rw9 s ALA 397 Cb -0.13 -1.67 0.06 0.00 0.00 0.00 0.00 23.12 21.38 1rw9 s ALA 397 CO 0.06 -1.30 0.47 1.28 0.00 0.00 0.00 175.76 176.26 1rw9 n LEU 398 N 4.39 0.00 -3.88 0.00 4.77 -1.17 -1.55 117.00 119.56 1rw9 n LEU 398 Ca -0.10 -2.66 -0.09 0.00 -0.03 0.00 0.00 56.01 53.13 1rw9 n LEU 398 Cb 0.42 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1rw9 n LEU 398 CO 0.21 -0.60 0.10 -0.94 -1.33 0.00 0.00 177.39 174.83 1rw9 s SER 399 N -4.15 -0.07 0.09 -1.43 1.04 -1.11 -4.74 113.70 103.32 1rw9 s SER 399 Ca 0.36 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 1rw9 s SER 399 Cb -0.03 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.63 1rw9 s SER 399 CO 0.23 -0.96 0.54 -1.54 0.98 0.00 0.00 173.24 172.48 1rw9 n SER 400 N -0.27 -0.90 0.00 7.02 3.41 -0.42 -4.72 113.62 117.75 1rw9 n SER 400 Ca -0.08 -1.47 0.04 0.00 -0.26 0.00 0.00 58.87 57.10 1rw9 n SER 400 Cb 0.63 1.45 0.21 0.00 -0.26 0.00 0.00 64.21 66.24 1rw9 n SER 400 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rw9 n ASN 401 N -0.94 0.00 -0.04 4.04 0.23 -0.76 -1.65 115.26 116.13 1rw9 n ASN 401 Ca -0.01 0.19 0.01 0.00 -0.53 0.00 0.00 54.58 54.24 1rw9 n ASN 401 Cb 0.30 -0.30 -0.14 0.00 -2.08 0.00 0.00 39.78 37.56 1rw9 n ASN 401 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1rw9 n ARG 402 N -1.30 0.84 -4.17 -3.83 1.74 -1.26 -4.93 116.66 103.75 1rw9 n ARG 402 Ca 0.04 -0.10 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 1rw9 n ARG 402 Cb 0.07 -1.44 -0.17 0.00 -1.02 0.00 0.00 32.46 29.90 1rw9 n ARG 402 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1rw9 s ILE 403 N -2.90 0.87 0.64 0.55 -1.09 -0.66 -4.67 121.20 113.93 1rw9 s ILE 403 Ca -0.08 -0.26 -0.16 0.00 -2.23 0.00 0.00 60.65 57.92 1rw9 s ILE 403 Cb 0.09 -0.87 -0.01 0.00 -1.58 0.00 0.00 42.46 40.09 1rw9 s ILE 403 CO 0.74 0.32 1.14 0.00 -1.23 0.00 0.00 174.94 175.91 1rw9 s ALA 404 N 1.21 2.47 0.24 9.38 0.00 -0.16 -1.30 121.76 133.58 1rw9 s ALA 404 Ca -0.05 0.73 -0.05 0.00 0.00 0.00 0.00 51.96 52.58 1rw9 s ALA 404 Cb -0.14 -3.37 0.40 0.00 0.00 0.00 0.00 23.12 20.01 1rw9 s ALA 404 CO -0.02 -1.26 1.75 -1.49 0.00 0.00 0.00 175.76 174.74 1rw9 h TRP 405 N 0.35 0.55 -2.14 0.00 6.55 -1.90 -3.45 115.95 115.91 1rw9 h TRP 405 Ca -0.48 0.03 0.16 0.00 0.95 0.00 0.00 58.89 59.55 1rw9 h TRP 405 Cb 1.27 -0.13 -0.14 0.00 -0.86 0.00 0.00 29.16 29.29 1rw9 h TRP 405 CO 0.51 0.12 0.55 1.52 -1.05 0.00 0.00 178.44 180.10 1rw9 s TYR 406 N -6.04 -0.25 -0.18 0.49 -0.00 -1.26 -2.36 117.35 107.75 1rw9 s TYR 406 Ca -0.12 0.09 -0.05 0.00 -0.00 0.00 0.00 57.07 56.99 1rw9 s TYR 406 Cb 0.19 0.56 -0.03 0.00 -0.00 0.00 0.00 41.96 42.68 1rw9 s TYR 406 CO 0.76 -0.55 -0.01 -2.00 -0.00 0.00 0.00 175.55 173.76 1rw9 s GLU 407 N -3.02 3.68 0.16 -3.49 2.12 -1.26 -3.88 118.70 113.01 1rw9 s GLU 407 Ca 0.08 -0.50 0.09 0.00 0.36 0.00 0.00 54.97 54.99 1rw9 s GLU 407 Cb -0.01 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1rw9 s GLU 407 CO -0.06 0.14 -0.19 0.00 -0.54 0.00 0.00 175.26 174.62 1rw9 n GLY 409 N 0.35 1.66 2.85 0.00 0.00 -0.82 -0.53 105.19 108.71 1rw9 n GLY 409 Ca -0.14 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 1rw9 n GLY 409 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rw9 n ASN 410 N 0.00 -4.48 -0.18 1.61 3.02 -1.26 -0.77 115.26 113.19 1rw9 n ASN 410 Ca 0.00 -0.11 -0.02 0.00 -0.03 0.00 0.00 54.58 54.42 1rw9 n ASN 410 Cb 0.00 -3.72 -0.01 0.00 -0.61 0.00 0.00 39.78 35.44 1rw9 n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rw9 n GLY 411 N -1.09 0.57 3.24 7.41 0.00 -1.26 -4.77 105.19 109.29 1rw9 n GLY 411 Ca -0.11 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1rw9 n GLY 411 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rw9 s GLU 412 N -1.96 3.07 -1.17 1.61 2.02 0.05 -1.30 118.70 121.02 1rw9 s GLU 412 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1rw9 s GLU 412 Cb 0.00 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.89 1rw9 s GLU 412 CO 0.00 0.19 0.00 -1.71 0.02 0.00 0.00 175.26 173.76 1rw9 n ASN 413 N 3.50 -4.16 0.28 -0.19 5.15 -1.03 -1.94 115.26 116.87 1rw9 n ASN 413 Ca -0.19 0.10 0.19 0.00 -0.60 0.00 0.00 54.58 54.08 1rw9 n ASN 413 Cb 0.53 -3.16 0.94 0.00 -0.53 0.00 0.00 39.78 37.56 1rw9 n ASN 413 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1rw9 h ASN 414 N 0.00 0.00 -0.59 1.20 2.35 -1.84 -1.80 115.58 114.89 1rw9 h ASN 414 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1rw9 h ASN 414 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1rw9 h ASN 414 CO 0.36 0.00 0.00 -1.14 -1.65 0.00 0.00 177.43 175.00 1rw9 n ARG 415 N -2.86 2.64 -0.30 0.81 0.63 -1.26 -1.37 116.66 114.95 1rw9 n ARG 415 Ca -0.02 -2.52 -0.01 0.00 -0.92 0.00 0.00 57.85 54.39 1rw9 n ARG 415 Cb 0.12 -1.55 0.10 0.00 0.45 0.00 0.00 32.46 31.59 1rw9 n ARG 415 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rw9 n GLY 416 N 1.60 2.19 0.24 5.14 0.00 -0.68 -4.50 105.19 109.18 1rw9 n GLY 416 Ca 0.23 -0.30 0.16 0.00 0.00 0.00 0.00 46.02 46.11 1rw9 n GLY 416 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1rw9 h TYR 417 N 0.95 0.00 -0.20 1.61 -0.00 -1.83 -1.77 116.97 115.73 1rw9 h TYR 417 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.79 1rw9 h TYR 417 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.86 1rw9 h TYR 417 CO 0.38 0.00 0.00 0.72 -0.00 0.00 0.00 178.16 179.26 1rw9 n HIS 418 N -2.74 0.23 0.44 0.10 8.25 -1.26 -4.54 115.22 115.71 1rw9 n HIS 418 Ca -0.00 -0.13 0.11 0.00 -0.26 0.00 0.00 57.72 57.44 1rw9 n HIS 418 Cb 0.17 -0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.73 1rw9 n HIS 418 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rw9 n THR 419 N 1.31 0.85 -1.09 1.59 -2.24 -0.67 -1.86 114.28 112.18 1rw9 n THR 419 Ca 0.15 0.21 0.02 0.00 -2.27 0.00 0.00 64.05 62.16 1rw9 n THR 419 Cb 0.56 -1.09 0.27 0.00 -2.10 0.00 0.00 70.33 67.98 1rw9 n THR 419 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rw9 n GLY 420 N 0.07 4.02 2.24 3.38 0.00 -1.00 -4.49 105.19 109.41 1rw9 n GLY 420 Ca 0.03 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 1rw9 n GLY 420 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rw9 n SER 421 N -0.45 5.07 -0.52 1.61 7.64 -0.78 -2.76 113.62 123.44 1rw9 n SER 421 Ca 0.30 -3.63 0.00 0.00 1.01 0.00 0.00 58.87 56.54 1rw9 n SER 421 Cb 1.08 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1rw9 n SER 421 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rw9 n GLY 422 N -1.02 0.75 3.77 0.23 0.00 -0.60 -3.18 105.19 105.13 1rw9 n GLY 422 Ca 0.59 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1rw9 n GLY 422 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rw9 s MET 423 N -3.19 4.12 -0.50 1.61 -1.94 -0.86 -3.34 119.30 115.19 1rw9 s MET 423 Ca 0.00 2.14 -0.01 0.00 -1.71 0.00 0.00 55.69 56.10 1rw9 s MET 423 Cb 0.00 -2.86 0.13 0.00 2.01 0.00 0.00 34.83 34.11 1rw9 s MET 423 CO 0.00 -0.36 0.29 0.95 -0.01 0.00 0.00 175.02 175.90 1rw9 s THR 424 N -1.23 3.29 -0.37 2.05 -4.23 -0.03 -1.72 115.64 113.40 1rw9 s THR 424 Ca 0.54 -2.60 -0.24 0.00 -1.18 0.00 0.00 61.69 58.21 1rw9 s THR 424 Cb -0.38 -3.22 0.01 0.00 1.34 0.00 0.00 72.50 70.25 1rw9 s THR 424 CO 0.49 -0.77 0.82 -0.31 -0.54 0.00 0.00 174.62 174.31 1rw9 s TYR 425 N 0.46 3.09 -0.57 3.99 1.51 -0.43 -4.60 117.35 120.79 1rw9 s TYR 425 Ca 0.13 0.58 -0.14 0.00 -1.01 0.00 0.00 57.07 56.63 1rw9 s TYR 425 Cb -0.22 -3.49 0.14 0.00 -0.11 0.00 0.00 41.96 38.29 1rw9 s TYR 425 CO -0.04 -0.78 0.51 -0.06 -1.11 0.00 0.00 175.55 174.08 1rw9 s PHE 426 N 3.22 3.35 0.29 2.71 0.40 -1.26 -1.28 117.98 125.41 1rw9 s PHE 426 Ca 0.33 -1.50 -0.29 0.00 -0.60 0.00 0.00 56.93 54.87 1rw9 s PHE 426 Cb -0.13 -3.75 -0.09 0.00 0.51 0.00 0.00 43.02 39.56 1rw9 s PHE 426 CO 0.18 -1.01 1.06 0.71 0.70 0.00 0.00 175.22 176.86 1rw9 s TYR 427 N 1.33 3.60 0.01 0.36 1.51 0.60 -4.92 117.35 119.84 1rw9 s TYR 427 Ca 0.06 1.73 -0.00 0.00 -1.01 0.00 0.00 57.07 57.84 1rw9 s TYR 427 Cb -0.26 -3.21 0.00 0.00 -0.11 0.00 0.00 41.96 38.38 1rw9 s TYR 427 CO 0.01 -0.39 0.02 0.25 -1.11 0.00 0.00 175.55 174.32 1rw9 n THR 428 N 1.02 0.00 0.17 -0.71 -2.24 -1.26 -0.83 114.28 110.44 1rw9 n THR 428 Ca -0.00 -0.05 0.09 0.00 -2.27 0.00 0.00 64.05 61.81 1rw9 n THR 428 Cb 0.46 0.03 0.45 0.00 -2.10 0.00 0.00 70.33 69.18 1rw9 n THR 428 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1rw9 n SER 429 N -2.13 0.45 -4.58 3.42 3.41 -1.25 -3.70 113.62 109.23 1rw9 n SER 429 Ca 0.00 0.69 -0.36 0.00 -0.26 0.00 0.00 58.87 58.94 1rw9 n SER 429 Cb 0.02 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.18 1rw9 n SER 429 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rw9 s ASP 430 N -3.82 5.96 0.42 4.04 3.68 -1.26 -4.79 116.67 120.90 1rw9 s ASP 430 Ca -0.01 -2.06 0.12 0.00 2.13 0.00 0.00 52.55 52.74 1rw9 s ASP 430 Cb 0.05 -2.58 0.91 0.00 -1.45 0.00 0.00 42.92 39.85 1rw9 s ASP 430 CO 0.18 -2.10 1.96 -0.07 0.13 0.00 0.00 175.17 175.28 1rw9 h LEU 431 N 15.07 0.10 -0.82 -1.34 3.38 -2.00 -1.64 115.31 128.07 1rw9 h LEU 431 Ca 0.33 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1rw9 h LEU 431 Cb 0.91 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1rw9 h LEU 431 CO 1.35 0.27 0.00 0.61 0.09 0.00 0.00 178.44 180.75 1rw9 n GLY 432 N -0.97 0.03 0.35 0.83 0.00 -1.26 -4.60 105.19 99.56 1rw9 n GLY 432 Ca -0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1rw9 n GLY 432 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1rw9 h GLN 433 N 1.37 -0.22 -0.03 1.61 5.75 -1.66 0.22 115.11 122.16 1rw9 h GLN 433 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1rw9 h GLN 433 Cb 0.31 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1rw9 h GLN 433 CO 0.00 -0.15 -0.02 0.66 -2.65 0.00 0.00 178.83 176.67 1rw9 n TYR 434 N -5.42 0.00 -0.08 3.99 4.02 -1.26 -4.34 117.16 114.07 1rw9 n TYR 434 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.84 1rw9 n TYR 434 Cb 0.34 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.54 1rw9 n TYR 434 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1rw9 n ASP 435 N 1.00 1.11 -4.00 7.72 -0.08 -0.81 -4.39 116.55 117.10 1rw9 n ASP 435 Ca 0.15 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.00 1rw9 n ASP 435 Cb 0.53 0.91 0.00 0.00 2.34 0.00 0.00 41.12 44.91 1rw9 n ASP 435 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1rw9 n ASP 436 N -2.57 4.75 -1.99 1.67 2.03 0.00 -4.33 116.55 116.11 1rw9 n ASP 436 Ca -0.25 -2.99 -0.17 0.00 0.52 0.00 0.00 54.79 51.90 1rw9 n ASP 436 Cb 1.00 -1.57 -0.04 0.00 -0.72 0.00 0.00 41.12 39.79 1rw9 n ASP 436 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rw9 n ALA 437 N 5.28 -0.49 -0.04 -1.67 0.00 -1.26 -4.89 120.51 117.43 1rw9 n ALA 437 Ca 0.44 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.98 1rw9 n ALA 437 Cb 0.39 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 1rw9 n ALA 437 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1rw9 h PHE 438 N 0.00 0.12 0.00 0.00 3.57 -1.77 -1.94 116.94 116.93 1rw9 h PHE 438 Ca -0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1rw9 h PHE 438 Cb 1.20 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1rw9 h PHE 438 CO 0.56 0.06 0.00 0.91 -2.23 0.00 0.00 178.31 177.61 1rw9 n TRP 439 N -5.04 0.29 0.07 0.41 7.02 -1.26 -0.64 117.44 118.29 1rw9 n TRP 439 Ca -0.03 0.10 0.03 0.00 -1.02 0.00 0.00 57.50 56.58 1rw9 n TRP 439 Cb 0.07 -0.66 -0.04 0.00 -2.42 0.00 0.00 31.31 28.25 1rw9 n TRP 439 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rw9 h ALA 440 N 2.62 0.64 0.00 6.99 0.00 -1.78 -3.42 119.26 124.31 1rw9 h ALA 440 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1rw9 h ALA 440 Cb 0.43 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rw9 h ALA 440 CO 0.00 0.65 -0.82 0.25 0.00 0.00 0.00 179.25 179.33 1rw9 n THR 441 N -2.91 0.00 -1.24 0.00 -2.24 -0.77 -3.98 114.28 103.14 1rw9 n THR 441 Ca -0.05 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 1rw9 n THR 441 Cb 0.75 0.60 0.11 0.00 -2.10 0.00 0.00 70.33 69.68 1rw9 n THR 441 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rw9 s ALA 442 N -1.84 2.03 -0.55 6.98 0.00 0.19 -4.61 121.76 123.95 1rw9 s ALA 442 Ca -0.00 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.29 1rw9 s ALA 442 Cb 0.01 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1rw9 s ALA 442 CO 0.04 -2.00 1.13 1.21 0.00 0.00 0.00 175.76 176.14 1rw9 s ASN 443 N -2.60 6.47 0.00 0.00 3.84 -1.26 -4.88 114.94 116.50 1rw9 s ASN 443 Ca 0.68 0.10 0.09 0.00 0.21 0.00 0.00 52.86 53.94 1rw9 s ASN 443 Cb -0.23 -2.53 0.37 0.00 -0.55 0.00 0.00 41.25 38.31 1rw9 s ASN 443 CO 0.51 -1.38 1.28 -1.22 -2.79 0.00 0.00 177.10 173.49 1rw9 n TYR 444 N 8.12 0.01 0.59 0.43 4.02 -1.26 -1.02 117.16 128.05 1rw9 n TYR 444 Ca 0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.09 1rw9 n TYR 444 Cb 0.49 -0.50 0.16 0.00 -0.02 0.00 0.00 39.34 39.47 1rw9 n TYR 444 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1rw9 n ASN 445 N -1.51 3.25 -2.79 7.72 3.02 -1.26 -4.49 115.26 119.20 1rw9 n ASN 445 Ca 0.02 -1.99 -0.02 0.00 -0.03 0.00 0.00 54.58 52.56 1rw9 n ASN 445 Cb 0.10 -0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 1rw9 n ASN 445 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rw9 n ARG 446 N 1.42 1.58 -2.11 3.52 1.74 -0.19 -4.91 116.66 117.72 1rw9 n ARG 446 Ca 0.17 -3.39 -0.37 0.00 -0.77 0.00 0.00 57.85 53.50 1rw9 n ARG 446 Cb 0.60 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 1rw9 n ARG 446 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rw9 s LEU 447 N -3.65 3.87 0.24 0.55 1.43 -1.15 -4.60 118.68 115.37 1rw9 s LEU 447 Ca 0.27 2.40 -0.31 0.00 -1.03 0.00 0.00 54.13 55.45 1rw9 s LEU 447 Cb 0.36 -4.37 -0.12 0.00 0.03 0.00 0.00 46.19 42.08 1rw9 s LEU 447 CO -0.02 -1.25 1.61 -0.81 0.23 0.00 0.00 176.35 176.11 1rw9 n PRO 448 N -0.96 2.56 0.00 1.29 -0.04 -1.26 -2.75 135.00 133.84 1rw9 n PRO 448 Ca 0.10 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 1rw9 n PRO 448 Cb 0.48 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1rw9 n PRO 448 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rw9 n GLY 449 N 2.91 3.21 3.79 0.55 0.00 0.67 -0.85 105.19 115.46 1rw9 n GLY 449 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1rw9 n GLY 449 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rw9 s ILE 450 N -2.26 3.68 -0.09 -0.61 -4.36 -1.11 -4.57 121.20 111.88 1rw9 s ILE 450 Ca 0.00 0.55 -0.03 0.00 -0.26 0.00 0.00 60.65 60.90 1rw9 s ILE 450 Cb 0.00 -3.17 -0.04 0.00 1.25 0.00 0.00 42.46 40.51 1rw9 s ILE 450 CO 0.00 -0.71 0.05 -0.89 0.24 0.00 0.00 174.94 173.62 1rw9 s THR 451 N -2.98 4.69 -0.12 8.37 2.01 -1.19 -0.99 115.64 125.42 1rw9 s THR 451 Ca 0.60 -0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.42 1rw9 s THR 451 Cb -0.15 -3.00 0.05 0.00 0.01 0.00 0.00 72.50 69.40 1rw9 s THR 451 CO 0.55 0.60 0.27 0.54 -0.69 0.00 0.00 174.62 175.89 1rw9 s VAL 452 N -0.94 -0.17 -0.05 3.82 0.11 0.36 -4.95 120.40 118.58 1rw9 s VAL 452 Ca 0.14 0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 59.08 1rw9 s VAL 452 Cb -0.12 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1rw9 s VAL 452 CO 0.03 0.08 1.15 -0.62 -3.33 0.00 0.00 175.10 172.41 1rw9 s ASP 453 N 1.66 7.11 0.00 3.54 -1.08 -1.26 -0.82 116.67 125.82 1rw9 s ASP 453 Ca -0.06 1.76 0.21 0.00 -0.52 0.00 0.00 52.55 53.94 1rw9 s ASP 453 Cb -0.11 -2.56 1.25 0.00 -1.46 0.00 0.00 42.92 40.04 1rw9 s ASP 453 CO -0.09 -0.53 1.73 0.35 0.52 0.00 0.00 175.17 177.15 1rw9 n THR 454 N 4.51 0.00 -1.67 1.71 -2.24 -0.47 -4.78 114.28 111.33 1rw9 n THR 454 Ca 0.10 0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.39 1rw9 n THR 454 Cb 0.47 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 1rw9 n THR 454 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1rw9 n THR 455 N -0.87 0.25 -1.90 4.28 -1.04 -1.26 -4.93 114.28 108.81 1rw9 n THR 455 Ca 0.16 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.71 1rw9 n THR 455 Cb 0.07 -1.52 -0.01 0.00 -1.82 0.00 0.00 70.33 67.05 1rw9 n THR 455 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1rw9 s PRO 456 N 2.34 4.19 0.08 -2.82 0.02 -1.26 -5.01 135.00 132.54 1rw9 s PRO 456 Ca 0.87 2.45 0.07 0.00 0.02 0.00 0.00 61.00 64.41 1rw9 s PRO 456 Cb -0.77 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 30.68 1rw9 s PRO 456 CO 0.48 -0.46 -0.12 -0.51 -0.33 0.00 0.00 177.00 176.06 1rw9 s LEU 457 N -1.34 2.94 0.51 -5.54 1.43 -1.26 -5.11 118.68 110.32 1rw9 s LEU 457 Ca 0.56 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 53.09 1rw9 s LEU 457 Cb -0.44 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 1rw9 s LEU 457 CO 0.54 0.21 1.03 -2.16 0.23 0.00 0.00 176.35 176.19 1rw9 s PRO 458 N -1.94 3.75 0.24 1.29 0.04 -1.26 -4.97 135.00 132.16 1rw9 s PRO 458 Ca 0.19 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 1rw9 s PRO 458 Cb -0.11 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 32.19 1rw9 s PRO 458 CO 0.11 -0.46 1.12 -0.25 0.04 0.00 0.00 177.00 177.56 1rw9 n ASP 459 N -1.27 1.51 -1.02 6.66 10.43 -1.26 -1.36 116.55 130.25 1rw9 n ASP 459 Ca 0.09 1.16 -0.13 0.00 2.57 0.00 0.00 54.79 58.48 1rw9 n ASP 459 Cb 0.53 -1.28 -0.05 0.00 1.84 0.00 0.00 41.12 42.16 1rw9 n ASP 459 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1rw9 n LYS 460 N 1.25 -0.90 -1.59 -1.24 5.02 -0.47 -4.99 118.16 115.24 1rw9 n LYS 460 Ca 0.12 0.92 -0.43 0.00 -2.02 0.00 0.00 58.31 56.91 1rw9 n LYS 460 Cb 0.29 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 1rw9 n LYS 460 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1rw9 n VAL 461 N -2.74 2.20 -0.68 -0.18 3.14 -0.46 -0.96 118.33 118.65 1rw9 n VAL 461 Ca -0.13 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 1rw9 n VAL 461 Cb 0.44 -1.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.15 1rw9 n VAL 461 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1rw9 n GLU 462 N 0.41 0.00 0.00 1.45 -0.58 -1.26 -4.84 120.64 115.81 1rw9 n GLU 462 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1rw9 n GLU 462 Cb 0.37 -3.50 0.00 0.00 -0.57 0.00 0.00 31.44 27.74 1rw9 n GLU 462 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rw9 n GLY 463 N -2.00 0.24 3.88 0.62 0.00 -0.14 -3.86 105.19 103.93 1rw9 n GLY 463 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1rw9 n GLY 463 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rw9 s GLN 464 N -2.60 3.12 -1.63 1.61 -0.21 -1.26 -4.37 119.66 114.32 1rw9 s GLN 464 Ca 0.00 0.52 -0.02 0.00 0.02 0.00 0.00 55.36 55.88 1rw9 s GLN 464 Cb 0.00 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.95 1rw9 s GLN 464 CO 0.00 -0.84 0.28 0.91 -2.12 0.00 0.00 175.29 173.52 1rw9 n TRP 465 N -2.88 -1.41 -2.32 0.91 7.02 0.31 -2.58 117.44 116.50 1rw9 n TRP 465 Ca 0.06 0.24 -0.19 0.00 -1.02 0.00 0.00 57.50 56.59 1rw9 n TRP 465 Cb 0.56 -4.14 -0.01 0.00 -2.42 0.00 0.00 31.31 25.30 1rw9 n TRP 465 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rw9 n GLY 466 N -1.25 -0.28 0.23 6.99 0.00 -1.25 -4.86 105.19 104.76 1rw9 n GLY 466 Ca -0.18 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1rw9 n GLY 466 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw9 h ALA 467 N 0.86 1.08 -3.97 4.61 0.00 -1.74 -3.43 119.26 116.67 1rw9 h ALA 467 Ca -0.45 -0.20 -0.69 0.00 0.00 0.00 0.00 54.91 53.57 1rw9 h ALA 467 Cb 1.33 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.87 1rw9 h ALA 467 CO 0.54 0.28 -0.81 0.00 0.00 0.00 0.00 179.25 179.26 1rw9 s ALA 468 N -3.78 2.59 0.10 0.00 0.00 -1.25 -5.11 121.76 114.32 1rw9 s ALA 468 Ca -0.00 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 50.82 1rw9 s ALA 468 Cb 0.11 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1rw9 s ALA 468 CO 0.63 0.57 -0.15 0.14 0.00 0.00 0.00 175.76 176.95 1rw9 s VAL 469 N -0.93 1.31 0.12 0.00 -7.23 -1.26 -4.23 120.40 108.18 1rw9 s VAL 469 Ca 0.15 -1.57 -0.31 0.00 -1.81 0.00 0.00 61.98 58.44 1rw9 s VAL 469 Cb -0.10 -1.39 -0.07 0.00 0.56 0.00 0.00 36.38 35.37 1rw9 s VAL 469 CO 0.05 -0.31 1.31 -2.16 -0.31 0.00 0.00 175.10 173.68 1rw9 s PRO 470 N -2.29 4.38 -1.37 4.82 0.04 -1.24 -4.90 135.00 134.45 1rw9 s PRO 470 Ca 0.05 1.97 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 1rw9 s PRO 470 Cb -0.07 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1rw9 s PRO 470 CO 0.03 -0.32 2.41 0.00 0.04 0.00 0.00 177.00 179.16 1rw9 n ALA 471 N 3.59 5.82 -2.01 8.56 0.00 -1.26 -1.83 120.51 133.38 1rw9 n ALA 471 Ca 0.09 -3.50 -0.20 0.00 0.00 0.00 0.00 53.44 49.83 1rw9 n ALA 471 Cb 0.44 -3.45 0.06 0.00 0.00 0.00 0.00 19.45 16.50 1rw9 n ALA 471 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rw9 s ASP 472 N 3.13 5.03 -0.05 0.00 -4.77 -1.26 -4.98 116.67 113.76 1rw9 s ASP 472 Ca 0.55 -0.51 -0.25 0.00 -3.30 0.00 0.00 52.55 49.04 1rw9 s ASP 472 Cb 0.15 -0.14 -0.20 0.00 -1.09 0.00 0.00 42.92 41.64 1rw9 s ASP 472 CO -0.05 -1.34 1.04 -0.33 0.70 0.00 0.00 175.17 175.19 1rw9 h GLU 473 N 0.06 -0.07 -1.68 2.11 5.08 -1.92 -3.42 114.58 114.75 1rw9 h GLU 473 Ca -0.35 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.21 1rw9 h GLU 473 Cb 1.28 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.36 1rw9 h GLU 473 CO 0.43 0.50 0.71 1.67 -1.00 0.00 0.00 179.01 181.32 1rw9 s TRP 474 N -3.58 -0.20 0.01 4.33 1.48 -1.26 -4.79 118.94 114.93 1rw9 s TRP 474 Ca -0.15 0.15 0.01 0.00 -1.06 0.00 0.00 56.10 55.05 1rw9 s TRP 474 Cb 0.00 0.52 -0.01 0.00 -1.16 0.00 0.00 33.47 32.82 1rw9 s TRP 474 CO 0.61 -0.30 -0.05 -1.12 -4.06 0.00 0.00 176.95 172.04 1rw9 s SER 475 N -2.12 0.56 0.00 -2.66 0.01 -1.26 -1.41 113.70 106.81 1rw9 s SER 475 Ca 0.07 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1rw9 s SER 475 Cb -0.01 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1rw9 s SER 475 CO -0.06 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1rw9 n GLY 476 N 2.59 -1.28 3.49 3.44 0.00 -0.34 -4.79 105.19 108.30 1rw9 n GLY 476 Ca -0.15 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1rw9 n GLY 476 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw9 s ALA 477 N -1.30 -1.78 0.26 4.61 0.00 -1.26 -0.82 121.76 121.47 1rw9 s ALA 477 Ca 0.00 0.97 -0.03 0.00 0.00 0.00 0.00 51.96 52.90 1rw9 s ALA 477 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1rw9 s ALA 477 CO 0.00 -0.65 0.30 -0.08 0.00 0.00 0.00 175.76 175.33 1rw9 s THR 478 N -2.95 0.00 -0.16 0.00 -1.32 0.03 -4.67 115.64 106.57 1rw9 s THR 478 Ca 0.02 -1.78 -0.24 0.00 -1.21 0.00 0.00 61.69 58.48 1rw9 s THR 478 Cb -0.01 -2.46 0.06 0.00 -1.51 0.00 0.00 72.50 68.58 1rw9 s THR 478 CO -0.08 0.00 0.61 0.00 -2.21 0.00 0.00 174.62 172.95 1rw9 s ALA 479 N -3.79 -1.54 -0.11 11.08 0.00 -1.26 -1.16 121.76 124.98 1rw9 s ALA 479 Ca 0.34 1.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.78 1rw9 s ALA 479 Cb 0.03 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1rw9 s ALA 479 CO 0.15 -0.32 -0.06 -1.17 0.00 0.00 0.00 175.76 174.37 1rw9 s LEU 480 N -0.30 1.08 0.00 0.00 2.96 -0.15 -4.77 118.68 117.50 1rw9 s LEU 480 Ca -0.05 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1rw9 s LEU 480 Cb -0.03 -0.76 0.00 0.00 0.50 0.00 0.00 46.19 45.90 1rw9 s LEU 480 CO 0.04 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 1rw9 n GLY 481 N 4.98 3.20 0.40 7.98 0.00 -1.26 -1.79 105.19 118.70 1rw9 n GLY 481 Ca -0.11 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1rw9 n GLY 481 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1rw9 n GLU 482 N 14.00 1.54 -4.96 1.61 0.28 -1.26 -4.73 120.64 127.11 1rw9 n GLU 482 Ca 0.00 -0.79 -0.28 0.00 -0.16 0.00 0.00 57.16 55.93 1rw9 n GLU 482 Cb 0.00 -1.44 -0.16 0.00 1.43 0.00 0.00 31.44 31.27 1rw9 n GLU 482 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1rw9 s VAL 483 N -1.93 1.63 0.15 3.84 1.01 -0.74 -3.03 120.40 121.33 1rw9 s VAL 483 Ca 0.37 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1rw9 s VAL 483 Cb 0.19 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1rw9 s VAL 483 CO 0.31 0.46 -0.13 0.00 0.00 0.00 0.00 175.10 175.74 1rw9 s ALA 484 N 0.06 2.85 -0.12 5.51 0.00 -0.07 -0.97 121.76 129.01 1rw9 s ALA 484 Ca -0.06 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.50 1rw9 s ALA 484 Cb -0.13 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.29 1rw9 s ALA 484 CO 0.03 0.53 -0.15 0.00 0.00 0.00 0.00 175.76 176.17 1rw9 s ALA 485 N -1.47 1.77 -0.04 0.00 0.00 -0.30 -1.12 121.76 120.60 1rw9 s ALA 485 Ca 0.22 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1rw9 s ALA 485 Cb -0.10 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1rw9 s ALA 485 CO 0.13 -0.17 -0.16 0.08 0.00 0.00 0.00 175.76 175.64 1rw9 s VAL 486 N 1.13 1.35 0.06 0.00 1.01 0.06 -0.79 120.40 123.21 1rw9 s VAL 486 Ca -0.03 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1rw9 s VAL 486 Cb -0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1rw9 s VAL 486 CO -0.04 0.39 -0.12 -0.83 0.00 0.00 0.00 175.10 174.50 1rw9 s GLY 487 N 0.00 0.75 -0.07 4.51 0.00 -0.00 -0.59 107.32 111.92 1rw9 s GLY 487 Ca -0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 1rw9 s GLY 487 CO 0.02 -0.97 0.14 1.62 0.00 0.00 0.00 173.10 173.90 1rw9 s GLN 488 N -1.72 0.03 -0.65 2.90 0.74 0.61 -1.20 119.66 120.37 1rw9 s GLN 488 Ca -0.04 0.47 -0.27 0.00 0.05 0.00 0.00 55.36 55.56 1rw9 s GLN 488 Cb -0.10 -0.28 0.03 0.00 1.10 0.00 0.00 33.01 33.76 1rw9 s GLN 488 CO 0.02 -0.27 1.21 -1.58 -0.55 0.00 0.00 175.29 174.12 1rw9 s HIS 489 N 1.93 2.47 -0.09 1.67 5.65 -0.50 -1.20 115.29 125.21 1rw9 s HIS 489 Ca -0.00 0.15 -0.28 0.00 0.25 0.00 0.00 55.06 55.18 1rw9 s HIS 489 Cb -0.12 -4.54 -0.02 0.00 -1.18 0.00 0.00 32.58 26.72 1rw9 s HIS 489 CO -0.05 -1.80 0.92 -1.17 -0.65 0.00 0.00 174.74 171.98 1rw9 s LEU 490 N 5.23 4.27 -0.19 8.88 2.96 0.54 -4.67 118.68 135.70 1rw9 s LEU 490 Ca 0.38 1.43 -0.03 0.00 -0.22 0.00 0.00 54.13 55.69 1rw9 s LEU 490 Cb -0.08 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 1rw9 s LEU 490 CO 0.20 -0.34 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.14 1rw9 s VAL 491 N 1.61 3.38 0.43 1.68 1.01 -1.26 -1.73 120.40 125.52 1rw9 s VAL 491 Ca 0.45 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 1rw9 s VAL 491 Cb -0.18 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 1rw9 s VAL 491 CO 0.19 0.45 1.08 -0.83 0.00 0.00 0.00 175.10 175.99 1rw9 s GLY 492 N 1.12 2.71 0.68 4.51 0.00 -0.23 -4.87 107.32 111.24 1rw9 s GLY 492 Ca 0.01 0.75 -0.13 0.00 0.00 0.00 0.00 44.72 45.35 1rw9 s GLY 492 CO -0.01 1.17 1.09 2.56 0.00 0.00 0.00 173.10 177.91 1rw9 s PRO 493 N -2.68 2.77 0.00 2.90 0.04 -1.26 -4.13 135.00 132.64 1rw9 s PRO 493 Ca 0.61 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1rw9 s PRO 493 Cb -0.23 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1rw9 s PRO 493 CO 0.28 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1rw9 n GLY 494 N -1.05 0.52 2.46 0.56 0.00 -1.26 -4.16 105.19 102.25 1rw9 n GLY 494 Ca 0.09 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 1rw9 n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rw9 n ARG 495 N -2.81 -2.00 0.22 1.61 1.74 -1.26 -4.87 116.66 109.29 1rw9 n ARG 495 Ca 0.00 0.92 0.10 0.00 -0.77 0.00 0.00 57.85 58.10 1rw9 n ARG 495 Cb 0.00 -5.58 0.48 0.00 -1.02 0.00 0.00 32.46 26.34 1rw9 n ARG 495 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1rw9 h THR 496 N -0.09 0.59 0.00 0.55 1.35 -1.80 -3.47 112.91 110.03 1rw9 h THR 496 Ca -0.46 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 1rw9 h THR 496 Cb 1.34 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1rw9 h THR 496 CO 0.54 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1rw9 n GLY 497 N 0.05 0.56 3.74 5.82 0.00 -1.26 -1.60 105.19 112.50 1rw9 n GLY 497 Ca -0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1rw9 n GLY 497 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rw9 s LEU 498 N 0.00 4.37 -0.00 0.99 1.98 -1.26 -3.84 118.68 120.92 1rw9 s LEU 498 Ca 0.00 2.75 0.02 0.00 -2.89 0.00 0.00 54.13 54.00 1rw9 s LEU 498 Cb 0.00 -3.62 -0.01 0.00 0.66 0.00 0.00 46.19 43.23 1rw9 s LEU 498 CO 0.00 -0.82 -0.05 0.28 -1.89 0.00 0.00 176.35 173.87 1rw9 s THR 499 N 0.43 0.42 -0.09 3.68 -1.32 -0.13 -1.07 115.64 117.56 1rw9 s THR 499 Ca 0.65 -0.29 -0.22 0.00 -1.21 0.00 0.00 61.69 60.61 1rw9 s THR 499 Cb -0.45 -0.37 0.05 0.00 -1.51 0.00 0.00 72.50 70.22 1rw9 s THR 499 CO 0.40 0.07 0.52 0.00 -2.21 0.00 0.00 174.62 173.40 1rw9 s ALA 500 N -0.23 -1.31 -0.37 11.08 0.00 -0.70 -2.15 121.76 128.08 1rw9 s ALA 500 Ca 0.01 1.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 1rw9 s ALA 500 Cb -0.03 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.89 1rw9 s ALA 500 CO -0.00 -0.30 0.15 1.03 0.00 0.00 0.00 175.76 176.64 1rw9 s ARG 501 N -0.76 2.50 -0.14 0.00 0.52 -0.22 -0.34 118.95 120.50 1rw9 s ARG 501 Ca -0.08 -1.37 -0.02 0.00 -0.52 0.00 0.00 55.73 53.74 1rw9 s ARG 501 Cb -0.03 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 1rw9 s ARG 501 CO 0.05 -0.80 -0.07 0.15 0.02 0.00 0.00 175.30 174.65 1rw9 s LYS 502 N 1.35 3.54 0.08 3.54 1.02 -0.34 -1.00 119.74 127.93 1rw9 s LYS 502 Ca 0.01 -0.58 0.04 0.00 0.02 0.00 0.00 55.97 55.45 1rw9 s LYS 502 Cb -0.21 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1rw9 s LYS 502 CO 0.01 0.25 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.46 1rw9 s SER 503 N 0.32 1.40 -0.04 2.83 0.01 0.10 -0.28 113.70 118.03 1rw9 s SER 503 Ca -0.06 -0.71 0.02 0.00 1.31 0.00 0.00 55.95 56.51 1rw9 s SER 503 Cb -0.15 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.09 1rw9 s SER 503 CO 0.04 -0.20 -0.10 0.26 0.41 0.00 0.00 173.24 173.65 1rw9 s TRP 504 N -1.95 1.11 -0.23 2.43 0.51 0.25 -1.35 118.94 119.70 1rw9 s TRP 504 Ca 0.01 -0.33 0.01 0.00 -2.12 0.00 0.00 56.10 53.67 1rw9 s TRP 504 Cb -0.06 -0.82 0.05 0.00 -0.81 0.00 0.00 33.47 31.84 1rw9 s TRP 504 CO 0.01 -0.17 -0.09 -0.06 -0.51 0.00 0.00 176.95 176.13 1rw9 s PHE 505 N 0.44 2.62 -0.20 -1.98 0.40 0.21 -0.76 117.98 118.71 1rw9 s PHE 505 Ca -0.08 -1.84 0.01 0.00 -0.60 0.00 0.00 56.93 54.42 1rw9 s PHE 505 Cb -0.12 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.75 1rw9 s PHE 505 CO 0.01 -0.79 -0.17 0.08 0.70 0.00 0.00 175.22 175.05 1rw9 s VAL 506 N 1.32 2.19 0.00 -0.44 1.01 -0.27 -0.35 120.40 123.85 1rw9 s VAL 506 Ca -0.05 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1rw9 s VAL 506 Cb -0.18 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1rw9 s VAL 506 CO -0.07 0.42 0.00 -1.54 0.00 0.00 0.00 175.10 173.91 1rw9 n SER 507 N 4.60 0.00 0.02 3.32 3.41 -0.34 -0.90 113.62 123.74 1rw9 n SER 507 Ca -0.19 -0.77 0.08 0.00 -0.26 0.00 0.00 58.87 57.73 1rw9 n SER 507 Cb 0.49 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.78 1rw9 n SER 507 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rw9 n GLY 508 N 5.00 -1.06 0.18 5.00 0.00 -1.17 -4.36 105.19 108.79 1rw9 n GLY 508 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1rw9 n GLY 508 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rw9 n ASP 509 N -1.63 1.32 -4.36 1.61 8.00 -1.26 -4.40 116.55 115.83 1rw9 n ASP 509 Ca 0.03 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.25 1rw9 n ASP 509 Cb 0.18 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.15 1rw9 n ASP 509 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1rw9 s VAL 510 N -1.44 2.11 -0.23 2.53 -7.23 -1.26 -4.35 120.40 110.52 1rw9 s VAL 510 Ca 0.00 -1.64 -0.02 0.00 -1.81 0.00 0.00 61.98 58.50 1rw9 s VAL 510 Cb 0.00 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 35.09 1rw9 s VAL 510 CO 0.00 0.10 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.93 1rw9 s THR 511 N -1.04 2.95 -0.19 5.32 2.01 -0.49 -1.20 115.64 123.01 1rw9 s THR 511 Ca 0.12 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 1rw9 s THR 511 Cb -0.10 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 1rw9 s THR 511 CO 0.05 0.31 0.39 -0.69 -0.69 0.00 0.00 174.62 174.00 1rw9 s VAL 512 N 1.37 5.21 -0.25 3.82 1.01 0.52 -0.88 120.40 131.21 1rw9 s VAL 512 Ca 0.03 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1rw9 s VAL 512 Cb -0.15 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.54 1rw9 s VAL 512 CO -0.05 0.28 -0.09 0.00 0.00 0.00 0.00 175.10 175.24 1rw9 s LEU 514 N 1.24 2.71 0.02 0.00 1.43 -0.46 -1.49 118.68 122.13 1rw9 s LEU 514 Ca -0.03 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1rw9 s LEU 514 Cb -0.18 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1rw9 s LEU 514 CO -0.05 0.34 -0.07 -0.83 0.23 0.00 0.00 176.35 175.97 1rw9 s GLY 515 N -0.81 0.39 0.18 -3.19 0.00 -0.04 -0.72 107.32 103.13 1rw9 s GLY 515 Ca 0.12 -0.49 -0.14 0.00 0.00 0.00 0.00 44.72 44.21 1rw9 s GLY 515 CO 0.01 -0.49 0.43 0.00 0.00 0.00 0.00 173.10 173.05 1rw9 s ALA 516 N -0.71 -0.60 -1.36 3.20 0.00 -0.17 -1.36 121.76 120.76 1rw9 s ALA 516 Ca -0.03 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 1rw9 s ALA 516 Cb -0.06 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.92 1rw9 s ALA 516 CO 0.00 -0.74 0.88 -3.47 0.00 0.00 0.00 175.76 172.43 1rw9 n ASP 517 N -0.29 -6.03 -4.67 0.00 2.03 -0.70 -1.06 116.55 105.83 1rw9 n ASP 517 Ca -0.09 -0.40 -0.40 0.00 0.52 0.00 0.00 54.79 54.41 1rw9 n ASP 517 Cb 0.63 -4.73 -0.05 0.00 -0.72 0.00 0.00 41.12 36.24 1rw9 n ASP 517 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rw9 s ILE 518 N -3.23 4.99 0.27 5.18 1.01 -0.18 -4.34 121.20 124.89 1rw9 s ILE 518 Ca 0.44 1.33 -0.14 0.00 0.00 0.00 0.00 60.65 62.28 1rw9 s ILE 518 Cb -0.19 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1rw9 s ILE 518 CO 0.54 0.10 0.54 -0.94 0.00 0.00 0.00 174.94 175.18 1rw9 s SER 519 N 1.15 -0.03 0.18 3.58 1.04 -0.91 -0.96 113.70 117.74 1rw9 s SER 519 Ca 0.32 -0.93 -0.12 0.00 0.48 0.00 0.00 55.95 55.70 1rw9 s SER 519 Cb -0.16 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1rw9 s SER 519 CO 0.11 -1.23 0.37 0.28 0.98 0.00 0.00 173.24 173.76 1rw9 s THR 520 N -3.81 0.05 -1.31 2.02 -1.32 -1.26 -0.95 115.64 109.05 1rw9 s THR 520 Ca 0.21 -1.22 0.18 0.00 -1.21 0.00 0.00 61.69 59.64 1rw9 s THR 520 Cb -0.02 -1.81 -0.09 0.00 -1.51 0.00 0.00 72.50 69.07 1rw9 s THR 520 CO 0.10 -0.21 0.86 0.00 -2.21 0.00 0.00 174.62 173.15 1rw9 n ALA 521 N -0.27 3.78 0.50 11.08 0.00 -0.63 -4.69 120.51 130.29 1rw9 n ALA 521 Ca -0.07 -0.55 0.13 0.00 0.00 0.00 0.00 53.44 52.95 1rw9 n ALA 521 Cb 0.63 -0.65 0.35 0.00 0.00 0.00 0.00 19.45 19.78 1rw9 n ALA 521 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rw9 h SER 522 N 1.13 0.00 0.00 0.00 4.64 -1.79 -3.47 113.55 114.06 1rw9 h SER 522 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rw9 h SER 522 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1rw9 h SER 522 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1rw9 n GLY 523 N 1.17 0.62 3.92 -0.77 0.00 -1.26 -5.05 105.19 103.82 1rw9 n GLY 523 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1rw9 n GLY 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw9 s ALA 524 N -2.76 3.50 0.66 4.61 0.00 -1.26 -4.68 121.76 121.84 1rw9 s ALA 524 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1rw9 s ALA 524 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1rw9 s ALA 524 CO 0.00 -0.28 1.20 0.15 0.00 0.00 0.00 175.76 176.83 1rw9 s LYS 525 N -4.62 2.56 -0.04 0.00 1.02 -1.26 -4.39 119.74 113.01 1rw9 s LYS 525 Ca 0.46 1.77 0.07 0.00 0.02 0.00 0.00 55.97 58.29 1rw9 s LYS 525 Cb -0.10 -1.88 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1rw9 s LYS 525 CO 0.42 -1.52 -0.25 0.08 -0.92 0.00 0.00 175.35 173.16 1rw9 s VAL 526 N -1.82 2.04 0.21 3.17 1.01 -1.00 -1.37 120.40 122.63 1rw9 s VAL 526 Ca 0.75 -1.08 0.11 0.00 0.00 0.00 0.00 61.98 61.76 1rw9 s VAL 526 Cb -0.29 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1rw9 s VAL 526 CO 0.40 0.57 -0.22 -1.61 0.00 0.00 0.00 175.10 174.24 1rw9 s GLU 527 N -0.35 1.49 -0.06 2.72 2.02 0.00 -0.41 118.70 124.12 1rw9 s GLU 527 Ca 0.02 -1.56 0.04 0.00 0.02 0.00 0.00 54.97 53.50 1rw9 s GLU 527 Cb -0.12 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.42 1rw9 s GLU 527 CO 0.02 0.35 -0.18 0.99 0.02 0.00 0.00 175.26 176.46 1rw9 s THR 528 N -1.98 1.49 -0.46 3.63 2.01 -0.50 -0.49 115.64 119.34 1rw9 s THR 528 Ca 0.22 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 61.32 1rw9 s THR 528 Cb -0.07 -1.30 0.05 0.00 0.01 0.00 0.00 72.50 71.20 1rw9 s THR 528 CO 0.10 0.43 0.45 -0.63 -0.69 0.00 0.00 174.62 174.28 1rw9 s ILE 529 N 0.20 5.12 0.08 1.82 -1.09 -0.17 -0.60 121.20 126.56 1rw9 s ILE 529 Ca -0.08 -0.74 -0.21 0.00 -2.23 0.00 0.00 60.65 57.39 1rw9 s ILE 529 Cb -0.13 -4.13 -0.12 0.00 -1.58 0.00 0.00 42.46 36.50 1rw9 s ILE 529 CO 0.04 -0.58 1.60 0.58 -1.23 0.00 0.00 174.94 175.35 1rw9 h VAL 530 N 5.76 1.17 -3.09 2.92 2.07 -1.27 0.19 116.25 123.99 1rw9 h VAL 530 Ca -0.28 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1rw9 h VAL 530 Cb 1.11 1.26 -0.13 0.00 -1.52 0.00 0.00 31.29 32.00 1rw9 h VAL 530 CO 0.87 0.15 0.09 -0.62 0.02 0.00 0.00 177.57 178.08 1rw9 s ASP 531 N -5.55 -0.43 -0.28 0.57 -1.08 -0.92 -4.37 116.67 104.61 1rw9 s ASP 531 Ca -0.14 -0.08 -0.02 0.00 -0.52 0.00 0.00 52.55 51.79 1rw9 s ASP 531 Cb 0.06 0.54 0.12 0.00 -1.46 0.00 0.00 42.92 42.18 1rw9 s ASP 531 CO 0.70 -0.89 0.24 -2.28 0.52 0.00 0.00 175.17 173.45 1rw9 s HIS 532 N -3.56 -0.20 -0.12 -5.34 5.65 -1.25 -0.90 115.29 109.57 1rw9 s HIS 532 Ca 0.01 -0.36 0.01 0.00 0.25 0.00 0.00 55.06 54.96 1rw9 s HIS 532 Cb 0.00 -0.59 0.02 0.00 -1.18 0.00 0.00 32.58 30.83 1rw9 s HIS 532 CO -0.11 -0.86 -0.12 0.50 -0.65 0.00 0.00 174.74 173.50 1rw9 s ARG 533 N 2.28 1.95 -0.04 2.88 3.52 -0.07 -4.50 118.95 124.96 1rw9 s ARG 533 Ca 0.09 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 1rw9 s ARG 533 Cb -0.15 -1.80 -0.05 0.00 -1.56 0.00 0.00 34.95 31.39 1rw9 s ARG 533 CO -0.32 -0.17 1.57 1.21 -0.81 0.00 0.00 175.30 176.78 1rw9 s ASN 534 N 1.33 6.72 0.00 -2.12 3.84 -1.26 -1.45 114.94 122.00 1rw9 s ASN 534 Ca -0.00 2.19 0.24 0.00 0.21 0.00 0.00 52.86 55.49 1rw9 s ASN 534 Cb -0.14 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.24 1rw9 s ASN 534 CO -0.06 -0.87 1.26 0.18 -2.79 0.00 0.00 177.10 174.82 1rw9 n LEU 535 N 6.61 2.59 0.00 3.21 4.77 0.15 -4.94 117.00 129.38 1rw9 n LEU 535 Ca 0.16 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1rw9 n LEU 535 Cb 0.43 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1rw9 n LEU 535 CO 0.61 0.44 0.00 1.41 -1.33 0.00 0.00 177.39 178.52 1rw9 n HIS 536 N 0.86 0.00 -0.53 -1.77 8.25 -1.21 -0.61 115.22 120.20 1rw9 n HIS 536 Ca 0.13 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.67 1rw9 n HIS 536 Cb 0.54 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.92 1rw9 n HIS 536 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1rw9 n GLN 537 N 13.23 3.22 -1.70 -0.41 1.13 -1.26 -0.92 117.38 130.66 1rw9 n GLN 537 Ca 0.00 -2.60 -0.30 0.00 -1.94 0.00 0.00 57.00 52.16 1rw9 n GLN 537 Cb 0.00 -1.65 0.06 0.00 0.11 0.00 0.00 30.24 28.75 1rw9 n GLN 537 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1rw9 s GLY 538 N -1.15 1.64 -0.34 1.08 0.00 0.22 -5.00 107.32 103.77 1rw9 s GLY 538 Ca 0.40 -0.16 0.06 0.00 0.00 0.00 0.00 44.72 45.02 1rw9 s GLY 538 CO 0.20 0.20 1.32 -1.14 0.00 0.00 0.00 173.10 173.67 1rw9 n SER 539 N -3.13 5.02 -4.65 1.64 3.41 -1.26 -4.88 113.62 109.77 1rw9 n SER 539 Ca 0.07 -3.77 -0.47 0.00 -0.26 0.00 0.00 58.87 54.44 1rw9 n SER 539 Cb 0.56 -0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 1rw9 n SER 539 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rw9 n ASN 540 N -0.78 2.70 -4.73 4.04 4.13 -1.26 -4.86 115.26 114.50 1rw9 n ASN 540 Ca 0.45 1.10 -0.41 0.00 1.68 0.00 0.00 54.58 57.39 1rw9 n ASN 540 Cb 0.92 -1.37 -0.03 0.00 -1.54 0.00 0.00 39.78 37.75 1rw9 n ASN 540 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1rw9 s THR 541 N 0.65 3.90 -0.61 3.41 2.01 -1.26 -4.73 115.64 119.01 1rw9 s THR 541 Ca 0.78 1.52 -0.19 0.00 0.31 0.00 0.00 61.69 64.11 1rw9 s THR 541 Cb -0.73 -3.97 0.11 0.00 0.01 0.00 0.00 72.50 67.92 1rw9 s THR 541 CO 0.42 0.20 0.72 -0.76 -0.69 0.00 0.00 174.62 174.51 1rw9 s LEU 542 N 0.21 5.45 0.15 4.42 1.43 -1.26 -0.37 118.68 128.72 1rw9 s LEU 542 Ca 0.53 -1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 51.90 1rw9 s LEU 542 Cb -0.30 -2.30 -0.08 0.00 0.03 0.00 0.00 46.19 43.55 1rw9 s LEU 542 CO 0.33 -1.09 0.70 -0.89 0.23 0.00 0.00 176.35 175.63 1rw9 s THR 543 N 2.56 4.54 0.30 5.49 2.01 0.38 -1.21 115.64 129.71 1rw9 s THR 543 Ca 0.12 1.43 0.03 0.00 0.31 0.00 0.00 61.69 63.58 1rw9 s THR 543 Cb -0.23 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 1rw9 s THR 543 CO 0.05 0.44 0.09 0.42 -0.69 0.00 0.00 174.62 174.92 1rw9 s THR 544 N -1.25 0.81 0.27 -0.82 -4.23 -0.49 -0.63 115.64 109.30 1rw9 s THR 544 Ca 0.36 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.83 1rw9 s THR 544 Cb -0.20 -2.68 0.32 0.00 1.34 0.00 0.00 72.50 71.28 1rw9 s THR 544 CO 0.23 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 175.93 1rw9 h ALA 545 N 2.23 0.95 0.17 3.99 0.00 -1.93 -2.78 119.26 121.87 1rw9 h ALA 545 Ca -0.39 0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 1rw9 h ALA 545 Cb 1.25 0.46 0.02 0.00 0.00 0.00 0.00 17.79 19.52 1rw9 h ALA 545 CO 0.64 -0.46 -1.31 0.00 0.00 0.00 0.00 179.25 178.11 1rw9 h ALA 546 N 1.80 0.00 0.00 0.00 0.00 -1.96 -3.50 119.26 115.60 1rw9 h ALA 546 Ca 0.48 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1rw9 h ALA 546 Cb 0.90 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rw9 h ALA 546 CO -0.74 0.82 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1rw9 n GLY 547 N 1.54 -1.77 3.12 0.00 0.00 -1.05 -5.15 105.19 101.88 1rw9 n GLY 547 Ca -0.12 0.80 -0.07 0.00 0.00 0.00 0.00 46.02 46.62 1rw9 n GLY 547 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rw9 s THR 548 N 0.00 0.20 0.16 2.61 -4.23 -1.26 -1.40 115.64 111.72 1rw9 s THR 548 Ca 0.00 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 1rw9 s THR 548 Cb 0.00 -1.47 -0.05 0.00 1.34 0.00 0.00 72.50 72.32 1rw9 s THR 548 CO 0.00 -0.91 -0.07 -0.51 -0.54 0.00 0.00 174.62 172.60 1rw9 s ILE 549 N -3.91 1.04 -1.39 2.99 2.07 -0.35 -4.83 121.20 116.83 1rw9 s ILE 549 Ca 0.07 -2.03 -0.03 0.00 -1.41 0.00 0.00 60.65 57.24 1rw9 s ILE 549 Cb 0.07 -1.95 0.02 0.00 0.13 0.00 0.00 42.46 40.73 1rw9 s ILE 549 CO -0.10 -0.65 0.64 0.00 -1.91 0.00 0.00 174.94 172.92 1rw9 n ALA 550 N -0.22 -1.88 0.17 1.50 0.00 -1.26 -4.34 120.51 114.48 1rw9 n ALA 550 Ca -0.09 -0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.26 1rw9 n ALA 550 Cb 0.61 -2.20 0.20 0.00 0.00 0.00 0.00 19.45 18.06 1rw9 n ALA 550 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rw9 h GLY 551 N -1.87 0.00 -7.31 0.00 0.00 -1.90 -3.40 103.07 88.59 1rw9 h GLY 551 Ca -0.61 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.08 1rw9 h GLY 551 CO 0.61 0.00 -0.55 -1.59 0.00 0.00 0.00 176.54 175.00 1rw9 s THR 552 N -3.25 4.94 0.21 4.70 2.01 -1.26 -5.08 115.64 117.91 1rw9 s THR 552 Ca 0.03 0.04 -0.32 0.00 0.31 0.00 0.00 61.69 61.74 1rw9 s THR 552 Cb 0.08 -3.32 -0.13 0.00 0.01 0.00 0.00 72.50 69.15 1rw9 s THR 552 CO 0.70 0.33 1.61 0.00 -0.69 0.00 0.00 174.62 176.57 1rw9 n ALA 553 N 4.65 2.03 -0.39 7.40 0.00 -1.26 -3.11 120.51 129.82 1rw9 n ALA 553 Ca -0.15 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1rw9 n ALA 553 Cb 0.52 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1rw9 n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rw9 n GLY 554 N 3.27 0.95 3.09 0.00 0.00 0.56 -4.99 105.19 108.08 1rw9 n GLY 554 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1rw9 n GLY 554 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rw9 s THR 555 N -2.91 2.61 0.24 2.61 2.01 -1.18 -5.05 115.64 113.97 1rw9 s THR 555 Ca 0.00 -1.84 -0.30 0.00 0.31 0.00 0.00 61.69 59.86 1rw9 s THR 555 Cb 0.00 -2.68 -0.09 0.00 0.01 0.00 0.00 72.50 69.74 1rw9 s THR 555 CO 0.00 -0.33 1.28 0.54 -0.69 0.00 0.00 174.62 175.42 1rw9 s VAL 556 N 1.09 3.14 0.15 3.82 0.11 -1.26 -4.72 120.40 122.73 1rw9 s VAL 556 Ca 0.01 1.00 0.07 0.00 -2.93 0.00 0.00 61.98 60.13 1rw9 s VAL 556 Cb -0.20 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 1rw9 s VAL 556 CO -0.05 0.18 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.14 1rw9 s GLU 557 N -0.67 1.16 -0.13 1.54 2.02 -0.25 -4.96 118.70 117.41 1rw9 s GLU 557 Ca 0.53 -1.35 -0.04 0.00 0.02 0.00 0.00 54.97 54.14 1rw9 s GLU 557 Cb -0.37 -1.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.74 1rw9 s GLU 557 CO 0.42 0.21 0.00 0.08 0.02 0.00 0.00 175.26 175.99 1rw9 s VAL 558 N -2.21 4.28 0.22 2.63 1.01 -1.26 -0.16 120.40 124.91 1rw9 s VAL 558 Ca 0.13 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1rw9 s VAL 558 Cb -0.05 -2.86 -0.10 0.00 0.00 0.00 0.00 36.38 33.38 1rw9 s VAL 558 CO 0.05 0.53 1.48 -0.22 0.00 0.00 0.00 175.10 176.94 1rw9 s LEU 559 N -0.16 4.38 0.00 3.92 2.96 0.18 -4.99 118.68 124.97 1rw9 s LEU 559 Ca 0.05 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.61 1rw9 s LEU 559 Cb -0.13 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1rw9 s LEU 559 CO 0.02 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 174.91 1rw9 n GLY 560 N 2.69 -1.04 0.00 7.98 0.00 -1.26 -4.70 105.19 108.86 1rw9 n GLY 560 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1rw9 n GLY 560 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rw9 n ASP 561 N 0.00 1.04 0.25 1.61 5.75 -1.26 -4.61 116.55 119.32 1rw9 n ASP 561 Ca 0.00 -1.08 0.17 0.00 -0.01 0.00 0.00 54.79 53.87 1rw9 n ASP 561 Cb 0.00 0.00 0.87 0.00 -1.03 0.00 0.00 41.12 40.96 1rw9 n ASP 561 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1rw9 h GLY 562 N 0.00 0.00 0.00 6.12 0.00 -1.99 -3.47 103.07 103.73 1rw9 h GLY 562 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rw9 h GLY 562 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1rw9 n ARG 563 N -2.70 -0.24 -4.51 4.80 1.74 -1.26 -4.96 116.66 109.52 1rw9 n ARG 563 Ca -0.02 0.06 -0.24 0.00 -0.77 0.00 0.00 57.85 56.88 1rw9 n ARG 563 Cb 0.10 -3.74 -0.14 0.00 -1.02 0.00 0.00 32.46 27.66 1rw9 n ARG 563 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 1rw9 s TRP 564 N -2.11 1.71 -0.01 -1.55 1.48 -1.26 -0.52 118.94 116.68 1rw9 s TRP 564 Ca 0.00 -0.38 0.03 0.00 -1.06 0.00 0.00 56.10 54.69 1rw9 s TRP 564 Cb 0.00 -1.00 -0.00 0.00 -1.16 0.00 0.00 33.47 31.31 1rw9 s TRP 564 CO 0.00 0.11 -0.10 0.54 -4.06 0.00 0.00 176.95 173.44 1rw9 s VAL 565 N -0.90 0.80 -0.13 -0.66 0.11 -0.55 -4.29 120.40 114.78 1rw9 s VAL 565 Ca 0.06 -0.41 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1rw9 s VAL 565 Cb -0.09 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1rw9 s VAL 565 CO 0.02 0.23 -0.18 -2.28 -3.33 0.00 0.00 175.10 169.57 1rw9 s HIS 566 N -0.09 2.71 -0.32 1.54 5.04 0.19 -0.88 115.29 123.48 1rw9 s HIS 566 Ca 0.01 -0.91 -0.11 0.00 -1.54 0.00 0.00 55.06 52.51 1rw9 s HIS 566 Cb -0.06 -1.81 -0.02 0.00 0.04 0.00 0.00 32.58 30.74 1rw9 s HIS 566 CO -0.00 -0.37 0.20 -1.17 -2.34 0.00 0.00 174.74 171.06 1rw9 s LEU 567 N 0.48 4.29 0.12 8.88 2.96 -0.16 -0.47 118.68 134.78 1rw9 s LEU 567 Ca -0.12 -0.39 -0.35 0.00 -0.22 0.00 0.00 54.13 53.04 1rw9 s LEU 567 Cb -0.16 -2.09 -0.16 0.00 0.50 0.00 0.00 46.19 44.28 1rw9 s LEU 567 CO 0.05 -0.19 1.35 1.21 -1.32 0.00 0.00 176.35 177.45 1rw9 n GLU 568 N 5.06 1.33 -1.00 1.98 2.13 0.50 -1.28 120.64 129.35 1rw9 n GLU 568 Ca -0.13 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.16 1rw9 n GLU 568 Cb 0.50 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1rw9 n GLU 568 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rw9 n GLY 569 N 2.55 0.85 1.15 8.31 0.00 -1.26 -4.69 105.19 112.10 1rw9 n GLY 569 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1rw9 n GLY 569 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rw9 n PHE 570 N -2.29 -0.21 -0.90 1.61 7.35 -0.40 -4.89 117.46 117.73 1rw9 n PHE 570 Ca 0.00 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1rw9 n PHE 570 Cb 0.00 0.07 0.00 0.00 0.35 0.00 0.00 39.48 39.90 1rw9 n PHE 570 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rw9 n GLY 571 N 3.26 0.49 3.52 7.13 0.00 -0.88 -0.00 105.19 118.71 1rw9 n GLY 571 Ca 0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 1rw9 n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rw9 s GLY 572 N 0.00 1.72 -0.00 -0.02 0.00 -0.65 -0.98 107.32 107.38 1rw9 s GLY 572 Ca 0.00 -1.28 0.05 0.00 0.00 0.00 0.00 44.72 43.48 1rw9 s GLY 572 CO 0.00 -1.25 -0.15 -0.19 0.00 0.00 0.00 173.10 171.51 1rw9 s TYR 573 N -1.14 1.31 -0.03 1.90 1.51 -0.06 -0.36 117.35 120.48 1rw9 s TYR 573 Ca 0.19 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 1rw9 s TYR 573 Cb -0.11 -0.83 0.01 0.00 -0.11 0.00 0.00 41.96 40.92 1rw9 s TYR 573 CO 0.11 -0.01 0.08 0.00 -1.11 0.00 0.00 175.55 174.61 1rw9 s ALA 574 N -0.41 -0.18 0.05 3.71 0.00 -0.54 -1.48 121.76 122.91 1rw9 s ALA 574 Ca 0.05 0.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.98 1rw9 s ALA 574 Cb -0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.88 1rw9 s ALA 574 CO -0.00 -0.04 0.73 -1.64 0.00 0.00 0.00 175.76 174.82 1rw9 s MET 575 N 0.05 4.47 -0.00 0.00 -1.94 0.33 -0.36 119.30 121.84 1rw9 s MET 575 Ca -0.00 1.01 0.18 0.00 -1.71 0.00 0.00 55.69 55.17 1rw9 s MET 575 Cb -0.01 -3.35 0.53 0.00 2.01 0.00 0.00 34.83 34.02 1rw9 s MET 575 CO 0.00 0.33 1.44 1.28 -0.01 0.00 0.00 175.02 178.07 1rw9 n LEU 576 N 2.65 3.63 0.00 -0.03 4.77 0.18 -4.93 117.00 123.26 1rw9 n LEU 576 Ca -0.04 -2.02 -0.12 0.00 -0.03 0.00 0.00 56.01 53.80 1rw9 n LEU 576 Cb 0.50 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1rw9 n LEU 576 CO 0.46 0.89 0.05 -0.90 -1.33 0.00 0.00 177.39 176.56 1rw9 n ASP 577 N 1.22 -0.81 -1.73 -1.43 5.68 -1.23 -4.89 116.55 113.37 1rw9 n ASP 577 Ca 0.20 -2.46 0.05 0.00 -0.50 0.00 0.00 54.79 52.08 1rw9 n ASP 577 Cb 0.56 1.61 0.35 0.00 -1.14 0.00 0.00 41.12 42.51 1rw9 n ASP 577 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1rw9 n ASP 578 N -1.87 5.11 -4.77 -1.12 5.75 -1.26 -4.96 116.55 113.42 1rw9 n ASP 578 Ca 0.02 -2.83 -0.38 0.00 -0.01 0.00 0.00 54.79 51.60 1rw9 n ASP 578 Cb 0.43 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.83 1rw9 n ASP 578 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1rw9 s SER 579 N -0.68 6.72 0.26 -1.12 0.01 -1.26 -4.98 113.70 112.64 1rw9 s SER 579 Ca 0.48 2.24 -0.30 0.00 1.31 0.00 0.00 55.95 59.67 1rw9 s SER 579 Cb 0.36 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.88 1rw9 s SER 579 CO 0.14 -0.53 1.47 -2.84 0.41 0.00 0.00 173.24 171.89 1rw9 s PRO 580 N -2.22 4.24 -0.31 12.44 0.02 -1.26 -5.00 135.00 142.91 1rw9 s PRO 580 Ca 0.55 2.36 -0.09 0.00 0.02 0.00 0.00 61.00 63.84 1rw9 s PRO 580 Cb -0.28 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.14 1rw9 s PRO 580 CO 0.36 -0.46 0.14 -1.17 -0.33 0.00 0.00 177.00 175.53 1rw9 s LEU 581 N -0.37 4.06 0.05 -5.54 2.96 -1.26 -4.51 118.68 114.06 1rw9 s LEU 581 Ca 0.60 -0.54 -0.20 0.00 -0.22 0.00 0.00 54.13 53.76 1rw9 s LEU 581 Cb -0.43 -1.98 -0.06 0.00 0.50 0.00 0.00 46.19 44.22 1rw9 s LEU 581 CO 0.44 -0.19 0.60 -1.00 -1.32 0.00 0.00 176.35 174.88 1rw9 s HIS 582 N 1.60 3.76 -0.09 5.38 3.76 0.14 -0.64 115.29 129.20 1rw9 s HIS 582 Ca 0.04 1.27 -0.00 0.00 -0.15 0.00 0.00 55.06 56.23 1rw9 s HIS 582 Cb -0.17 -2.57 0.02 0.00 1.11 0.00 0.00 32.58 30.98 1rw9 s HIS 582 CO 0.06 0.48 -0.06 0.08 -0.85 0.00 0.00 174.74 174.45 1rw9 s VAL 583 N -0.73 0.81 -0.13 -0.90 1.01 0.77 -0.82 120.40 120.40 1rw9 s VAL 583 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1rw9 s VAL 583 Cb -0.19 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1rw9 s VAL 583 CO 0.19 0.32 -0.07 -0.22 0.00 0.00 0.00 175.10 175.32 1rw9 s LEU 584 N 1.51 1.36 -0.08 3.92 2.96 0.65 -1.09 118.68 127.91 1rw9 s LEU 584 Ca -0.00 -0.44 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 1rw9 s LEU 584 Cb -0.13 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 1rw9 s LEU 584 CO -0.05 -0.14 0.67 -0.60 -1.32 0.00 0.00 176.35 174.91 1rw9 s ARG 585 N 1.67 4.42 0.02 1.98 3.52 -1.26 -0.38 118.95 128.91 1rw9 s ARG 585 Ca 0.03 0.82 -0.07 0.00 -0.13 0.00 0.00 55.73 56.38 1rw9 s ARG 585 Cb -0.14 -3.45 -0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1rw9 s ARG 585 CO -0.08 0.06 0.14 -1.83 -0.81 0.00 0.00 175.30 172.78 1rw9 s GLU 586 N 0.83 0.54 -0.17 5.12 -1.05 -0.25 -0.32 118.70 123.40 1rw9 s GLU 586 Ca 0.36 -0.51 -0.03 0.00 -0.15 0.00 0.00 54.97 54.64 1rw9 s GLU 586 Cb -0.17 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.72 1rw9 s GLU 586 CO 0.17 -0.14 -0.04 0.99 0.95 0.00 0.00 175.26 177.19 1rw9 s THR 587 N -1.82 3.71 0.13 1.83 2.01 -1.26 -0.20 115.64 120.04 1rw9 s THR 587 Ca -0.11 -0.41 0.10 0.00 0.31 0.00 0.00 61.69 61.58 1rw9 s THR 587 Cb -0.05 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1rw9 s THR 587 CO -0.00 0.47 -0.24 -0.13 -0.69 0.00 0.00 174.62 174.02 1rw9 s ARG 588 N 0.67 1.33 0.08 4.92 0.52 -0.25 -4.97 118.95 121.25 1rw9 s ARG 588 Ca -0.03 -1.33 0.05 0.00 -0.52 0.00 0.00 55.73 53.91 1rw9 s ARG 588 Cb -0.15 -1.72 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 1rw9 s ARG 588 CO 0.02 0.40 -0.15 -1.12 0.02 0.00 0.00 175.30 174.48 1rw9 s SER 589 N -2.14 1.76 -0.19 0.23 0.01 -1.26 -0.62 113.70 111.49 1rw9 s SER 589 Ca 0.13 -0.64 -0.36 0.00 1.31 0.00 0.00 55.95 56.39 1rw9 s SER 589 Cb -0.09 -0.06 0.15 0.00 0.21 0.00 0.00 66.02 66.23 1rw9 s SER 589 CO 0.06 -0.08 1.40 -0.83 0.41 0.00 0.00 173.24 174.20 1rw9 s GLY 590 N -1.84 -0.34 0.19 3.44 0.00 -0.27 -4.84 107.32 103.67 1rw9 s GLY 590 Ca -0.00 1.45 0.07 0.00 0.00 0.00 0.00 44.72 46.25 1rw9 s GLY 590 CO 0.02 0.42 0.02 -1.35 0.00 0.00 0.00 173.10 172.22 1rw9 s SER 591 N -2.48 4.84 0.52 1.64 1.04 -1.26 -0.06 113.70 117.95 1rw9 s SER 591 Ca 0.13 -0.40 0.24 0.00 0.48 0.00 0.00 55.95 56.40 1rw9 s SER 591 Cb 0.03 -1.05 1.41 0.00 0.10 0.00 0.00 66.02 66.52 1rw9 s SER 591 CO -0.04 0.07 2.10 -0.50 0.98 0.00 0.00 173.24 175.84 1rw9 h TRP 592 N 2.47 0.00 0.00 5.02 4.06 -1.70 -0.93 115.95 124.88 1rw9 h TRP 592 Ca -0.47 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.48 1rw9 h TRP 592 Cb 1.21 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1rw9 h TRP 592 CO 0.62 0.10 -0.00 0.66 -3.56 0.00 0.00 178.44 176.26 1rw9 h SER 593 N 0.00 0.00 1.17 -3.49 4.64 -1.13 -0.95 113.55 113.79 1rw9 h SER 593 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rw9 h SER 593 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1rw9 h SER 593 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1rw9 n GLY 594 N -0.68 -1.53 0.01 -0.77 0.00 -0.35 -3.78 105.19 98.08 1rw9 n GLY 594 Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1rw9 n GLY 594 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rw9 n VAL 595 N -2.20 0.00 -3.67 1.61 0.24 -0.45 -4.96 118.33 108.90 1rw9 n VAL 595 Ca 0.04 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.78 1rw9 n VAL 595 Cb 0.35 1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 33.64 1rw9 n VAL 595 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1rw9 s ASN 596 N -0.84 -0.70 0.61 -1.34 3.84 -0.67 -2.46 114.94 113.38 1rw9 s ASN 596 Ca 0.01 1.17 0.36 0.00 0.21 0.00 0.00 52.86 54.61 1rw9 s ASN 596 Cb 0.01 1.09 2.01 0.00 -0.55 0.00 0.00 41.25 43.81 1rw9 s ASN 596 CO 0.04 -0.21 2.27 -0.29 -2.79 0.00 0.00 177.10 176.12 1rw9 h ILE 597 N 5.36 0.29 -0.02 -5.21 6.09 -1.43 0.47 117.51 123.07 1rw9 h ILE 597 Ca -0.33 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1rw9 h ILE 597 Cb 1.20 1.07 0.00 0.00 0.47 0.00 0.00 36.82 39.56 1rw9 h ILE 597 CO 0.23 0.02 -0.13 0.59 -3.07 0.00 0.00 178.15 175.79 1rw9 n ASN 598 N -3.47 1.78 -4.79 2.19 3.02 -1.26 -4.98 115.26 107.74 1rw9 n ASN 598 Ca -0.03 -1.46 -0.33 0.00 -0.03 0.00 0.00 54.58 52.73 1rw9 n ASN 598 Cb 0.11 0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1rw9 n ASN 598 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1rw9 s GLY 599 N -2.19 2.17 0.67 7.41 0.00 0.16 -4.95 107.32 110.60 1rw9 s GLY 599 Ca 0.30 0.47 -0.15 0.00 0.00 0.00 0.00 44.72 45.34 1rw9 s GLY 599 CO 0.41 0.80 1.13 -1.35 0.00 0.00 0.00 173.10 174.09 1rw9 s SER 600 N -2.64 4.92 0.04 1.64 1.04 -1.26 -3.57 113.70 113.87 1rw9 s SER 600 Ca 0.65 2.08 0.28 0.00 0.48 0.00 0.00 55.95 59.44 1rw9 s SER 600 Cb -0.18 -2.56 0.99 0.00 0.10 0.00 0.00 66.02 64.37 1rw9 s SER 600 CO 0.37 -1.76 1.77 0.00 0.98 0.00 0.00 173.24 174.61 1rw9 n ALA 601 N -2.45 2.60 -1.66 5.32 0.00 -1.26 -1.02 120.51 122.04 1rw9 n ALA 601 Ca 0.11 -0.15 -0.46 0.00 0.00 0.00 0.00 53.44 52.94 1rw9 n ALA 601 Cb 0.52 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 1rw9 n ALA 601 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1rw9 n THR 602 N -1.64 0.31 -3.11 0.00 -1.04 -1.26 -4.82 114.28 102.72 1rw9 n THR 602 Ca 0.06 -0.08 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 1rw9 n THR 602 Cb 0.36 -1.42 -0.06 0.00 -1.82 0.00 0.00 70.33 67.39 1rw9 n THR 602 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1rw9 s VAL 603 N 0.54 5.03 -0.05 12.58 1.01 -1.26 -4.19 120.40 134.05 1rw9 s VAL 603 Ca 0.76 1.21 -0.04 0.00 0.00 0.00 0.00 61.98 63.91 1rw9 s VAL 603 Cb -0.71 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1rw9 s VAL 603 CO 0.43 0.13 0.14 -1.10 0.00 0.00 0.00 175.10 174.70 1rw9 s GLN 604 N 1.74 3.36 -0.09 2.72 -1.52 0.91 -4.92 119.66 121.87 1rw9 s GLN 604 Ca 0.30 -0.28 0.02 0.00 -1.95 0.00 0.00 55.36 53.45 1rw9 s GLN 604 Cb -0.16 -3.08 0.01 0.00 -0.22 0.00 0.00 33.01 29.56 1rw9 s GLN 604 CO 0.11 0.71 -0.13 -1.14 -0.25 0.00 0.00 175.29 174.59 1rw9 s GLN 605 N -1.52 1.95 0.03 2.91 0.74 -1.26 -1.11 119.66 121.39 1rw9 s GLN 605 Ca 0.21 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 55.17 1rw9 s GLN 605 Cb -0.12 -1.66 -0.02 0.00 1.10 0.00 0.00 33.01 32.32 1rw9 s GLN 605 CO 0.12 -0.03 -0.07 1.03 -0.55 0.00 0.00 175.29 175.79 1rw9 s ARG 606 N 0.89 0.48 0.16 1.67 1.81 0.21 -4.91 118.95 119.25 1rw9 s ARG 606 Ca -0.10 -0.56 -0.19 0.00 -1.72 0.00 0.00 55.73 53.17 1rw9 s ARG 606 Cb -0.15 -0.31 -0.07 0.00 -0.45 0.00 0.00 34.95 33.96 1rw9 s ARG 606 CO 0.01 0.07 0.65 -0.80 -0.68 0.00 0.00 175.30 174.54 1rw9 s ASN 607 N -1.08 7.05 0.07 0.23 0.01 -0.10 -1.09 114.94 120.04 1rw9 s ASN 607 Ca -0.06 1.33 0.04 0.00 -0.71 0.00 0.00 52.86 53.46 1rw9 s ASN 607 Cb -0.07 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 1rw9 s ASN 607 CO 0.00 0.14 -0.11 -0.36 -1.51 0.00 0.00 177.10 175.26 1rw9 s PHE 608 N -1.35 1.00 -0.18 2.20 0.40 0.72 0.33 117.98 121.10 1rw9 s PHE 608 Ca 0.37 -0.54 -0.06 0.00 -0.60 0.00 0.00 56.93 56.10 1rw9 s PHE 608 Cb -0.18 -0.57 -0.03 0.00 0.51 0.00 0.00 43.02 42.75 1rw9 s PHE 608 CO 0.21 -0.00 0.02 0.00 0.70 0.00 0.00 175.22 176.14 1rw9 s ALA 609 N -1.73 3.18 -0.19 5.36 0.00 -0.53 -1.09 121.76 126.77 1rw9 s ALA 609 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1rw9 s ALA 609 Cb -0.07 -1.79 0.04 0.00 0.00 0.00 0.00 23.12 21.29 1rw9 s ALA 609 CO 0.01 0.06 -0.09 0.99 0.00 0.00 0.00 175.76 176.73 1rw9 s THR 610 N 0.61 1.48 -0.14 0.00 2.01 0.48 -0.89 115.64 119.19 1rw9 s THR 610 Ca 0.01 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1rw9 s THR 610 Cb -0.14 -1.57 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 1rw9 s THR 610 CO 0.02 0.18 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.20 1rw9 s LEU 611 N 1.47 2.39 0.11 4.42 1.02 -0.08 -0.26 118.68 127.76 1rw9 s LEU 611 Ca -0.00 -0.49 -0.11 0.00 0.02 0.00 0.00 54.13 53.55 1rw9 s LEU 611 Cb -0.16 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.53 1rw9 s LEU 611 CO -0.08 0.10 0.27 -0.72 0.02 0.00 0.00 176.35 175.94 1rw9 s TYR 612 N 0.73 0.08 -0.08 0.29 -0.85 0.00 -0.75 117.35 116.77 1rw9 s TYR 612 Ca -0.07 -0.47 -0.00 0.00 -0.52 0.00 0.00 57.07 56.00 1rw9 s TYR 612 Cb -0.16 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 1rw9 s TYR 612 CO 0.01 -0.62 -0.04 0.08 -1.52 0.00 0.00 175.55 173.46 1rw9 s VAL 613 N -3.86 3.98 -0.31 -3.49 1.01 0.23 -0.68 120.40 117.28 1rw9 s VAL 613 Ca 0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1rw9 s VAL 613 Cb 0.04 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1rw9 s VAL 613 CO -0.09 0.60 0.11 0.21 0.00 0.00 0.00 175.10 175.93 1rw9 s ASN 614 N -0.83 5.30 0.00 3.32 3.84 -1.26 -1.41 114.94 123.91 1rw9 s ASN 614 Ca 0.13 -0.75 0.29 0.00 0.21 0.00 0.00 52.86 52.73 1rw9 s ASN 614 Cb -0.11 -1.92 1.24 0.00 -0.55 0.00 0.00 41.25 39.91 1rw9 s ASN 614 CO 0.02 -0.23 1.89 1.41 -2.79 0.00 0.00 177.10 177.40 1rw9 n HIS 615 N 4.90 0.00 -1.69 0.43 8.25 0.46 -5.00 115.22 122.56 1rw9 n HIS 615 Ca -0.14 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.33 1rw9 n HIS 615 Cb 0.48 -0.30 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 1rw9 n HIS 615 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rw9 n GLY 616 N 1.36 -2.15 3.77 -1.41 0.00 -1.23 -4.39 105.19 101.14 1rw9 n GLY 616 Ca 0.11 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 1rw9 n GLY 616 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rw9 s VAL 617 N -0.66 4.05 -1.40 1.61 1.01 -1.26 -2.38 120.40 121.36 1rw9 s VAL 617 Ca 0.00 1.77 -0.03 0.00 0.00 0.00 0.00 61.98 63.72 1rw9 s VAL 617 Cb 0.00 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1rw9 s VAL 617 CO 0.00 0.20 0.63 0.61 0.00 0.00 0.00 175.10 176.55 1rw9 n GLY 618 N 0.75 -0.30 3.76 4.51 0.00 -1.26 -4.92 105.19 107.73 1rw9 n GLY 618 Ca 0.01 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1rw9 n GLY 618 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rw9 n PRO 619 N -4.38 2.27 -4.00 1.61 -0.04 -1.26 -4.98 135.00 124.21 1rw9 n PRO 619 Ca -0.24 0.81 -0.34 0.00 -0.04 0.00 0.00 63.50 63.70 1rw9 n PRO 619 Cb 0.65 -2.64 -0.15 0.00 -0.04 0.00 0.00 33.50 31.32 1rw9 n PRO 619 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rw9 s VAL 620 N -1.19 2.57 -1.38 0.52 1.01 -1.26 -4.47 120.40 116.19 1rw9 s VAL 620 Ca 0.61 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1rw9 s VAL 620 Cb -0.45 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1rw9 s VAL 620 CO 0.58 0.10 0.58 0.00 0.00 0.00 0.00 175.10 176.35 1rw9 n ALA 621 N 4.57 -1.95 -0.94 5.51 0.00 -1.16 -4.92 120.51 121.63 1rw9 n ALA 621 Ca -0.16 -0.19 -0.32 0.00 0.00 0.00 0.00 53.44 52.78 1rw9 n ALA 621 Cb 0.45 -1.90 0.14 0.00 0.00 0.00 0.00 19.45 18.13 1rw9 n ALA 621 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rw9 s GLY 622 N -4.27 1.80 0.16 0.00 0.00 -0.13 -4.37 107.32 100.51 1rw9 s GLY 622 Ca 0.07 0.57 -0.14 0.00 0.00 0.00 0.00 44.72 45.22 1rw9 s GLY 622 CO 0.86 0.97 0.40 -1.35 0.00 0.00 0.00 173.10 173.98 1rw9 s SER 623 N -2.72 -0.14 0.11 1.64 1.04 -1.26 -1.01 113.70 111.36 1rw9 s SER 623 Ca 0.67 -0.57 -0.09 0.00 0.48 0.00 0.00 55.95 56.44 1rw9 s SER 623 Cb -0.23 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 1rw9 s SER 623 CO 0.55 -0.93 0.22 -0.72 0.98 0.00 0.00 173.24 173.34 1rw9 s TYR 624 N -3.88 0.20 -0.26 5.02 -0.85 -0.46 -4.94 117.35 112.18 1rw9 s TYR 624 Ca 0.10 -0.62 -0.08 0.00 -0.52 0.00 0.00 57.07 55.95 1rw9 s TYR 624 Cb 0.01 -0.05 0.12 0.00 0.38 0.00 0.00 41.96 42.42 1rw9 s TYR 624 CO -0.05 -0.59 0.55 0.00 -1.52 0.00 0.00 175.55 173.94 1rw9 s ALA 625 N -3.89 -1.71 0.30 9.51 0.00 -1.26 -0.86 121.76 123.86 1rw9 s ALA 625 Ca 0.08 1.93 -0.13 0.00 0.00 0.00 0.00 51.96 53.84 1rw9 s ALA 625 Cb 0.04 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.53 1rw9 s ALA 625 CO -0.08 -0.92 0.59 1.52 0.00 0.00 0.00 175.76 176.87 1rw9 s TYR 626 N 2.78 0.33 0.05 0.00 -0.85 -0.56 -0.65 117.35 118.46 1rw9 s TYR 626 Ca -0.01 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.79 1rw9 s TYR 626 Cb -0.12 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 1rw9 s TYR 626 CO -0.17 -1.19 -0.04 0.00 -1.52 0.00 0.00 175.55 172.63 1rw9 s MET 627 N -3.46 0.60 -0.05 -3.49 0.23 0.52 -0.24 119.30 113.40 1rw9 s MET 627 Ca 0.20 -1.09 0.04 0.00 -1.03 0.00 0.00 55.69 53.81 1rw9 s MET 627 Cb -0.03 0.05 -0.00 0.00 -1.53 0.00 0.00 34.83 33.32 1rw9 s MET 627 CO 0.11 -0.06 -0.19 0.08 -2.03 0.00 0.00 175.02 172.93 1rw9 s VAL 628 N -3.16 1.56 -0.59 5.16 1.01 -0.06 -1.47 120.40 122.85 1rw9 s VAL 628 Ca 0.02 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1rw9 s VAL 628 Cb 0.02 -1.34 0.17 0.00 0.00 0.00 0.00 36.38 35.23 1rw9 s VAL 628 CO -0.06 0.45 0.43 0.00 0.00 0.00 0.00 175.10 175.91 1rw9 s ALA 629 N 0.09 2.93 0.30 5.51 0.00 0.52 -1.39 121.76 129.71 1rw9 s ALA 629 Ca -0.06 -3.31 -0.30 0.00 0.00 0.00 0.00 51.96 48.29 1rw9 s ALA 629 Cb -0.13 -1.97 -0.12 0.00 0.00 0.00 0.00 23.12 20.91 1rw9 s ALA 629 CO 0.03 -2.05 1.60 -0.35 0.00 0.00 0.00 175.76 174.99 1rw9 n PRO 630 N 2.36 2.73 -0.92 0.00 -0.04 -1.26 -1.63 135.00 136.25 1rw9 n PRO 630 Ca 0.22 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.65 1rw9 n PRO 630 Cb 0.39 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1rw9 n PRO 630 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rw9 n GLY 631 N 2.06 1.13 3.74 0.55 0.00 1.00 -4.92 105.19 108.75 1rw9 n GLY 631 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1rw9 n GLY 631 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw9 s ALA 632 N -3.91 3.46 0.89 4.61 0.00 -0.98 -4.91 121.76 120.92 1rw9 s ALA 632 Ca 0.00 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 1rw9 s ALA 632 Cb 0.00 -3.43 0.13 0.00 0.00 0.00 0.00 23.12 19.82 1rw9 s ALA 632 CO 0.00 -0.41 1.12 -1.54 0.00 0.00 0.00 175.76 174.93 1rw9 s SER 633 N 0.12 3.30 0.28 0.00 1.04 -1.26 -4.17 113.70 113.00 1rw9 s SER 633 Ca 0.53 1.97 0.01 0.00 0.48 0.00 0.00 55.95 58.95 1rw9 s SER 633 Cb -0.34 -2.50 0.61 0.00 0.10 0.00 0.00 66.02 63.89 1rw9 s SER 633 CO 0.38 -2.83 1.76 0.58 0.98 0.00 0.00 173.24 174.11 1rw9 h VAL 634 N -1.68 0.70 -0.21 5.02 2.07 -1.96 0.37 116.25 120.56 1rw9 h VAL 634 Ca -0.45 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 66.69 1rw9 h VAL 634 Cb 1.26 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1rw9 h VAL 634 CO 0.46 0.12 -0.51 0.44 0.02 0.00 0.00 177.57 178.10 1rw9 h ASP 635 N 0.65 0.64 -0.20 0.57 3.32 -1.99 -0.33 116.42 119.08 1rw9 h ASP 635 Ca 0.51 -0.33 -0.20 0.00 0.02 0.00 0.00 57.03 57.03 1rw9 h ASP 635 Cb 0.76 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1rw9 h ASP 635 CO -0.38 1.04 -0.65 0.25 -1.72 0.00 0.00 179.24 177.77 1rw9 h LEU 636 N 0.46 0.94 0.08 1.55 5.85 -1.83 -3.02 115.31 119.34 1rw9 h LEU 636 Ca 0.02 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.18 1rw9 h LEU 636 Cb 1.05 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1rw9 h LEU 636 CO 0.10 1.35 -0.05 0.74 -0.34 0.00 0.00 178.44 180.24 1rw9 h THR 637 N 0.60 0.88 -0.41 1.05 2.02 -0.49 -2.01 112.91 114.56 1rw9 h THR 637 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.28 1rw9 h THR 637 Cb 1.27 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1rw9 h THR 637 CO 0.14 0.00 0.32 -0.09 0.37 0.00 0.00 175.52 176.26 1rw9 h ARG 638 N -0.13 0.00 -0.00 6.66 2.43 -1.09 -2.47 114.38 119.78 1rw9 h ARG 638 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1rw9 h ARG 638 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1rw9 h ARG 638 CO 0.00 0.00 -0.53 1.63 -1.51 0.00 0.00 179.97 179.56 1rw9 n LYS 639 N -4.22 0.09 -0.25 0.20 5.02 -0.80 -4.55 118.16 113.65 1rw9 n LYS 639 Ca 0.07 -0.05 0.05 0.00 -2.02 0.00 0.00 58.31 56.35 1rw9 n LYS 639 Cb 0.51 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.19 1rw9 n LYS 639 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1rw9 h LEU 640 N 0.13 0.20 -0.83 -0.35 3.38 -0.94 -2.14 115.31 114.76 1rw9 h LEU 640 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1rw9 h LEU 640 Cb 0.50 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1rw9 h LEU 640 CO 0.00 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.78 1rw9 n LEU 641 N -5.04 1.21 -4.88 1.67 4.77 -1.26 -4.57 117.00 108.89 1rw9 n LEU 641 Ca 0.13 -0.60 -0.35 0.00 -0.03 0.00 0.00 56.01 55.16 1rw9 n LEU 641 Cb 0.41 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1rw9 n LEU 641 CO 0.17 0.30 -0.17 -1.61 -1.33 0.00 0.00 177.39 174.75 1rw9 s GLU 642 N -1.71 3.40 -0.25 3.23 0.41 -0.81 -4.51 118.70 118.47 1rw9 s GLU 642 Ca 0.16 -0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.49 1rw9 s GLU 642 Cb 0.08 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1rw9 s GLU 642 CO 0.11 0.73 0.00 0.41 -0.49 0.00 0.00 175.26 176.02 1rw9 n GLY 643 N 1.52 0.57 4.06 -1.39 0.00 -1.26 -3.64 105.19 105.06 1rw9 n GLY 643 Ca -0.16 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1rw9 n GLY 643 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rw9 n ASN 644 N 1.00 -1.94 0.04 1.61 5.15 -1.26 -4.85 115.26 115.00 1rw9 n ASN 644 Ca -0.02 -0.99 -0.01 0.00 -0.60 0.00 0.00 54.58 52.96 1rw9 n ASN 644 Cb 0.10 -3.00 0.28 0.00 -0.53 0.00 0.00 39.78 36.63 1rw9 n ASN 644 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1rw9 h LYS 645 N -1.73 0.43 -3.28 1.20 1.57 -1.80 -3.37 116.57 109.59 1rw9 h LYS 645 Ca -0.61 -0.12 -0.63 0.00 -1.87 0.00 0.00 60.65 57.42 1rw9 h LYS 645 Cb 1.38 -0.05 -0.40 0.00 0.08 0.00 0.00 32.23 33.24 1rw9 h LYS 645 CO 0.69 0.57 -0.69 0.71 -0.57 0.00 0.00 179.45 180.17 1rw9 s TYR 646 N -4.70 2.60 -0.55 -1.35 1.51 -1.26 -0.97 117.35 112.62 1rw9 s TYR 646 Ca -0.07 -2.76 -0.19 0.00 -1.01 0.00 0.00 57.07 53.05 1rw9 s TYR 646 Cb 0.15 -2.35 0.09 0.00 -0.11 0.00 0.00 41.96 39.73 1rw9 s TYR 646 CO 0.77 -0.78 0.65 0.45 -1.11 0.00 0.00 175.55 175.53 1rw9 s SER 647 N 0.15 6.20 0.11 2.29 0.15 -0.16 -4.92 113.70 117.52 1rw9 s SER 647 Ca 0.17 -1.25 -0.31 0.00 0.70 0.00 0.00 55.95 55.26 1rw9 s SER 647 Cb -0.25 -2.29 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 1rw9 s SER 647 CO -0.01 -1.00 1.44 -0.69 1.20 0.00 0.00 173.24 174.18 1rw9 s VAL 648 N 2.58 3.19 -0.26 4.45 1.01 -1.26 -0.44 120.40 129.66 1rw9 s VAL 648 Ca 0.12 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.77 1rw9 s VAL 648 Cb -0.23 -3.53 -0.14 0.00 0.00 0.00 0.00 36.38 32.48 1rw9 s VAL 648 CO 0.08 0.05 -0.18 -0.38 0.00 0.00 0.00 175.10 174.68 1rw9 n ILE 649 N 4.07 1.53 -3.67 2.22 5.41 -0.02 -4.94 119.36 123.97 1rw9 n ILE 649 Ca 0.12 -0.30 -0.15 0.00 1.00 0.00 0.00 62.75 63.43 1rw9 n ILE 649 Cb 0.42 -1.91 -0.08 0.00 -0.71 0.00 0.00 39.64 37.36 1rw9 n ILE 649 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1rw9 s ARG 650 N -2.47 0.75 -0.45 0.38 3.52 -1.18 -4.70 118.95 114.80 1rw9 s ARG 650 Ca -0.36 0.33 0.06 0.00 -0.13 0.00 0.00 55.73 55.63 1rw9 s ARG 650 Cb 0.12 0.35 0.18 0.00 -1.56 0.00 0.00 34.95 34.04 1rw9 s ARG 650 CO 0.53 -0.17 0.55 1.21 -0.81 0.00 0.00 175.30 176.60 1rw9 s ASN 651 N -0.60 -0.22 0.00 -2.12 2.47 -1.23 -0.94 114.94 112.30 1rw9 s ASN 651 Ca -0.07 -2.01 0.00 0.00 0.42 0.00 0.00 52.86 51.20 1rw9 s ASN 651 Cb -0.03 1.02 0.00 0.00 -1.45 0.00 0.00 41.25 40.79 1rw9 s ASN 651 CO 0.04 -0.13 0.00 -0.90 -3.72 0.00 0.00 177.10 172.39 1rw9 n ASP 652 N 3.25 0.00 0.14 -4.21 5.68 -0.67 -4.85 116.55 115.89 1rw9 n ASP 652 Ca 0.20 -0.75 0.12 0.00 -0.50 0.00 0.00 54.79 53.86 1rw9 n ASP 652 Cb 0.52 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.01 1rw9 n ASP 652 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rw9 n ALA 653 N -3.00 1.54 -0.08 2.12 0.00 -1.26 -2.94 120.51 116.89 1rw9 n ALA 653 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 1rw9 n ALA 653 Cb 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 17.95 1rw9 n ALA 653 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1rw9 h THR 654 N 0.00 0.95 -3.06 0.00 2.02 -1.95 -3.40 112.91 107.48 1rw9 h THR 654 Ca 0.00 -2.23 -0.01 0.00 0.77 0.00 0.00 66.41 64.94 1rw9 h THR 654 Cb 0.30 2.39 -0.11 0.00 -1.74 0.00 0.00 68.15 68.98 1rw9 h THR 654 CO 0.00 0.44 0.17 0.00 0.37 0.00 0.00 175.52 176.51 1rw9 s ALA 655 N -2.39 -1.44 -0.03 6.16 0.00 -1.15 -0.83 121.76 122.08 1rw9 s ALA 655 Ca -0.26 0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1rw9 s ALA 655 Cb 0.05 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1rw9 s ALA 655 CO 0.64 -0.80 -0.04 -0.65 0.00 0.00 0.00 175.76 174.91 1rw9 s GLN 656 N -3.79 0.65 -0.13 0.00 -0.21 -0.16 -1.66 119.66 114.36 1rw9 s GLN 656 Ca 0.03 -0.07 -0.23 0.00 0.02 0.00 0.00 55.36 55.11 1rw9 s GLN 656 Cb -0.01 -0.69 0.06 0.00 1.00 0.00 0.00 33.01 33.36 1rw9 s GLN 656 CO -0.09 -0.07 0.58 0.45 -2.12 0.00 0.00 175.29 174.04 1rw9 s SER 657 N 0.79 -0.57 0.02 5.90 0.15 -0.12 -0.44 113.70 119.44 1rw9 s SER 657 Ca -0.10 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1rw9 s SER 657 Cb -0.13 0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 65.01 1rw9 s SER 657 CO -0.00 -0.38 -0.03 0.54 1.20 0.00 0.00 173.24 174.57 1rw9 s VAL 658 N -0.45 0.14 -0.14 4.45 0.11 -0.69 -0.84 120.40 122.98 1rw9 s VAL 658 Ca -0.06 -0.77 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1rw9 s VAL 658 Cb -0.03 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1rw9 s VAL 658 CO 0.04 -0.39 -0.05 -0.70 -3.33 0.00 0.00 175.10 170.68 1rw9 s GLU 659 N -1.21 3.53 -0.50 1.54 2.12 0.41 -1.16 118.70 123.44 1rw9 s GLU 659 Ca -0.12 -0.53 -0.22 0.00 0.36 0.00 0.00 54.97 54.46 1rw9 s GLU 659 Cb -0.08 -2.86 0.04 0.00 0.26 0.00 0.00 34.13 31.49 1rw9 s GLU 659 CO -0.01 0.31 0.77 -0.06 -0.54 0.00 0.00 175.26 175.73 1rw9 s PHE 660 N 0.18 2.95 0.09 5.30 0.40 0.14 -0.99 117.98 126.05 1rw9 s PHE 660 Ca -0.02 -0.11 -0.27 0.00 -0.60 0.00 0.00 56.93 55.93 1rw9 s PHE 660 Cb -0.14 -3.72 -0.16 0.00 0.51 0.00 0.00 43.02 39.52 1rw9 s PHE 660 CO 0.03 -1.10 1.68 -0.22 0.70 0.00 0.00 175.22 176.31 1rw9 h LYS 661 N 9.08 -0.39 -0.24 0.44 3.64 -1.29 -1.09 116.57 126.73 1rw9 h LYS 661 Ca -0.26 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1rw9 h LYS 661 Cb 1.09 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1rw9 h LYS 661 CO 0.99 -0.26 0.12 1.15 -2.27 0.00 0.00 179.45 179.18 1rw9 h THR 662 N -0.41 1.12 0.00 1.00 2.02 -1.93 -2.05 112.91 112.67 1rw9 h THR 662 Ca -0.03 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1rw9 h THR 662 Cb 0.33 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1rw9 h THR 662 CO 0.04 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.05 1rw9 n ALA 663 N -2.21 1.75 -4.11 6.16 0.00 -1.19 -4.90 120.51 116.01 1rw9 n ALA 663 Ca -0.03 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 1rw9 n ALA 663 Cb 0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1rw9 n ALA 663 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rw9 n LYS 664 N -1.48 -3.27 -4.14 0.00 5.02 -0.44 -4.95 118.16 108.90 1rw9 n LYS 664 Ca 0.04 0.39 -0.16 0.00 -2.02 0.00 0.00 58.31 56.56 1rw9 n LYS 664 Cb 0.18 -4.85 -0.14 0.00 -0.02 0.00 0.00 35.03 30.20 1rw9 n LYS 664 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rw9 s THR 665 N -3.59 0.40 -0.01 -0.18 2.01 -1.06 -4.28 115.64 108.92 1rw9 s THR 665 Ca 0.43 -0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.26 1rw9 s THR 665 Cb -0.23 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 1rw9 s THR 665 CO 0.91 0.10 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.82 1rw9 s THR 666 N -0.15 2.39 0.02 -0.82 2.01 -0.35 -0.68 115.64 118.06 1rw9 s THR 666 Ca 0.02 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 61.01 1rw9 s THR 666 Cb -0.02 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1rw9 s THR 666 CO -0.00 0.53 -0.16 0.00 -0.69 0.00 0.00 174.62 174.30 1rw9 s ALA 667 N -0.70 1.33 -0.05 7.40 0.00 -0.30 -0.64 121.76 128.80 1rw9 s ALA 667 Ca 0.11 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 1rw9 s ALA 667 Cb -0.10 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1rw9 s ALA 667 CO 0.00 0.29 0.33 0.00 0.00 0.00 0.00 175.76 176.38 1rw9 s ALA 668 N -0.65 -0.82 0.02 0.00 0.00 0.61 -1.71 121.76 119.20 1rw9 s ALA 668 Ca 0.04 0.53 0.09 0.00 0.00 0.00 0.00 51.96 52.62 1rw9 s ALA 668 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1rw9 s ALA 668 CO 0.01 -0.24 -0.26 0.95 0.00 0.00 0.00 175.76 176.22 1rw9 s THR 669 N -0.90 2.05 -0.11 0.00 -4.23 0.42 -0.94 115.64 111.94 1rw9 s THR 669 Ca -0.10 -1.25 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1rw9 s THR 669 Cb -0.04 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.07 1rw9 s THR 669 CO 0.03 0.45 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.97 1rw9 s PHE 670 N -0.71 2.51 -0.21 3.99 0.40 -0.02 -0.99 117.98 122.94 1rw9 s PHE 670 Ca 0.11 -1.11 0.10 0.00 -0.60 0.00 0.00 56.93 55.43 1rw9 s PHE 670 Cb -0.10 -1.69 -0.22 0.00 0.51 0.00 0.00 43.02 41.52 1rw9 s PHE 670 CO 0.01 -0.47 -0.01 0.91 0.70 0.00 0.00 175.22 176.35 1rw9 n TRP 671 N 3.73 0.10 -4.18 0.36 7.02 -0.01 -2.72 117.44 121.74 1rw9 n TRP 671 Ca -0.19 0.03 -0.11 0.00 -1.02 0.00 0.00 57.50 56.20 1rw9 n TRP 671 Cb 0.52 -1.02 -0.10 0.00 -2.42 0.00 0.00 31.31 28.30 1rw9 n TRP 671 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rw9 s LYS 672 N -2.51 0.88 0.33 -0.99 1.02 -0.98 -4.59 119.74 112.89 1rw9 s LYS 672 Ca -0.20 -1.36 -0.29 0.00 0.02 0.00 0.00 55.97 54.14 1rw9 s LYS 672 Cb 0.07 -0.27 -0.12 0.00 -0.52 0.00 0.00 37.83 36.99 1rw9 s LYS 672 CO 0.74 -0.01 1.47 -2.30 -0.92 0.00 0.00 175.35 174.33 1rw9 n PRO 673 N -0.07 2.50 -3.83 -1.68 -0.02 -1.26 -4.70 135.00 125.93 1rw9 n PRO 673 Ca -0.12 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1rw9 n PRO 673 Cb 0.61 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1rw9 n PRO 673 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rw9 n GLY 674 N 1.29 -1.81 3.56 -1.23 0.00 -0.65 -5.00 105.19 101.36 1rw9 n GLY 674 Ca 0.06 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 1rw9 n GLY 674 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rw9 s MET 675 N -1.99 2.61 -0.32 1.61 -1.94 -1.26 -1.56 119.30 116.45 1rw9 s MET 675 Ca 0.00 -0.65 0.03 0.00 -1.71 0.00 0.00 55.69 53.36 1rw9 s MET 675 Cb 0.00 -2.51 0.09 0.00 2.01 0.00 0.00 34.83 34.43 1rw9 s MET 675 CO 0.00 0.63 0.03 0.00 -0.01 0.00 0.00 175.02 175.67 1rw9 s ALA 676 N -0.87 2.63 0.00 3.03 0.00 0.10 -4.90 121.76 121.75 1rw9 s ALA 676 Ca 0.14 -2.27 0.00 0.00 0.00 0.00 0.00 51.96 49.83 1rw9 s ALA 676 Cb -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1rw9 s ALA 676 CO 0.04 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1rw9 n GLY 677 N 4.37 3.71 1.27 0.00 0.00 -1.26 -2.12 105.19 111.17 1rw9 n GLY 677 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1rw9 n GLY 677 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rw9 n ASP 678 N 7.46 3.75 -4.76 1.61 5.75 -1.26 -4.85 116.55 124.26 1rw9 n ASP 678 Ca 0.00 -2.00 -0.36 0.00 -0.01 0.00 0.00 54.79 52.43 1rw9 n ASP 678 Cb 0.00 -0.38 -0.08 0.00 -1.03 0.00 0.00 41.12 39.63 1rw9 n ASP 678 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1rw9 s LEU 679 N -1.23 4.10 0.19 -2.12 2.96 -0.90 -3.05 118.68 118.62 1rw9 s LEU 679 Ca 0.45 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.69 1rw9 s LEU 679 Cb 0.24 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 1rw9 s LEU 679 CO 0.33 0.30 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.72 1rw9 s GLY 680 N -0.35 1.30 0.02 7.98 0.00 -0.17 0.00 107.32 116.11 1rw9 s GLY 680 Ca 0.10 -1.61 -0.00 0.00 0.00 0.00 0.00 44.72 43.21 1rw9 s GLY 680 CO 0.01 -1.68 -0.03 0.00 0.00 0.00 0.00 173.10 171.41 1rw9 s ALA 681 N -3.17 0.16 -1.12 3.20 0.00 -0.60 -0.92 121.76 119.30 1rw9 s ALA 681 Ca 0.21 -0.65 0.27 0.00 0.00 0.00 0.00 51.96 51.79 1rw9 s ALA 681 Cb 0.02 0.16 0.92 0.00 0.00 0.00 0.00 23.12 24.22 1rw9 s ALA 681 CO 0.04 -0.19 1.69 -1.13 0.00 0.00 0.00 175.76 176.18 1rw9 n SER 682 N 1.42 0.31 -1.27 0.00 3.41 -0.37 -1.64 113.62 115.49 1rw9 n SER 682 Ca -0.23 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1rw9 n SER 682 Cb 0.56 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1rw9 n SER 682 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rw9 n GLY 683 N 1.46 0.61 3.55 5.00 0.00 -1.26 -4.40 105.19 110.14 1rw9 n GLY 683 Ca 0.08 -0.85 -0.50 0.00 0.00 0.00 0.00 46.02 44.75 1rw9 n GLY 683 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rw9 n PRO 684 N -0.09 0.88 -3.58 1.61 -0.02 -1.26 -4.77 135.00 127.78 1rw9 n PRO 684 Ca 0.00 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.66 1rw9 n PRO 684 Cb 0.06 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1rw9 n PRO 684 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rw9 s ALA 685 N -0.34 -1.85 -0.11 3.55 0.00 -1.10 -4.41 121.76 117.49 1rw9 s ALA 685 Ca 0.73 1.62 -0.01 0.00 0.00 0.00 0.00 51.96 54.31 1rw9 s ALA 685 Cb -0.90 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1rw9 s ALA 685 CO 0.54 -0.32 -0.08 0.00 0.00 0.00 0.00 175.76 175.89 1rw9 s VAL 687 N -0.06 0.11 -0.05 0.00 1.01 -0.11 -1.32 120.40 119.97 1rw9 s VAL 687 Ca -0.00 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1rw9 s VAL 687 Cb -0.14 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1rw9 s VAL 687 CO 0.03 -0.02 -0.12 -0.69 0.00 0.00 0.00 175.10 174.30 1rw9 s VAL 688 N -0.16 1.06 0.04 2.92 1.01 -0.33 -0.28 120.40 124.65 1rw9 s VAL 688 Ca -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1rw9 s VAL 688 Cb -0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1rw9 s VAL 688 CO -0.00 0.33 -0.03 0.72 0.00 0.00 0.00 175.10 176.12 1rw9 s PHE 689 N 0.40 0.41 -0.23 5.22 -0.12 0.19 -0.36 117.98 123.49 1rw9 s PHE 689 Ca -0.09 -0.85 -0.13 0.00 -0.05 0.00 0.00 56.93 55.82 1rw9 s PHE 689 Cb -0.13 -0.31 0.07 0.00 -0.63 0.00 0.00 43.02 42.03 1rw9 s PHE 689 CO 0.02 -0.30 0.55 0.45 -0.05 0.00 0.00 175.22 175.89 1rw9 s SER 690 N -2.33 -0.74 -0.07 1.98 0.15 -0.43 -1.21 113.70 111.06 1rw9 s SER 690 Ca -0.02 1.21 -0.15 0.00 0.70 0.00 0.00 55.95 57.69 1rw9 s SER 690 Cb 0.01 1.11 -0.05 0.00 -1.71 0.00 0.00 66.02 65.38 1rw9 s SER 690 CO -0.06 -0.22 0.40 -0.60 1.20 0.00 0.00 173.24 173.96 1rw9 s ARG 691 N 1.56 4.10 -0.36 5.44 3.52 -1.26 -0.76 118.95 131.20 1rw9 s ARG 691 Ca -0.10 0.36 0.02 0.00 -0.13 0.00 0.00 55.73 55.88 1rw9 s ARG 691 Cb -0.07 -3.32 0.11 0.00 -1.56 0.00 0.00 34.95 30.11 1rw9 s ARG 691 CO -0.16 0.45 0.11 -1.01 -0.81 0.00 0.00 175.30 173.87 1rw9 s HIS 692 N -0.27 2.84 0.00 5.12 3.76 0.18 -4.99 115.29 121.92 1rw9 s HIS 692 Ca 0.23 -2.54 0.00 0.00 -0.15 0.00 0.00 55.06 52.60 1rw9 s HIS 692 Cb -0.15 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.13 1rw9 s HIS 692 CO 0.10 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 173.52 1rw9 n GLY 693 N 4.26 2.58 1.77 -2.22 0.00 -1.26 -1.21 105.19 109.11 1rw9 n GLY 693 Ca 0.03 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1rw9 n GLY 693 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rw9 n ASN 694 N 10.43 5.32 -4.00 1.61 6.94 -1.26 -4.90 115.26 129.40 1rw9 n ASN 694 Ca 0.00 -2.78 -0.24 0.00 -0.02 0.00 0.00 54.58 51.54 1rw9 n ASN 694 Cb 0.00 -0.65 -0.16 0.00 -2.36 0.00 0.00 39.78 36.60 1rw9 n ASN 694 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1rw9 s GLU 695 N -2.48 1.51 -0.23 -3.83 2.02 -0.35 -1.35 118.70 114.00 1rw9 s GLU 695 Ca 0.51 -0.35 -0.06 0.00 0.02 0.00 0.00 54.97 55.09 1rw9 s GLU 695 Cb 0.38 -1.28 -0.02 0.00 0.10 0.00 0.00 34.13 33.30 1rw9 s GLU 695 CO 0.17 0.01 0.03 -1.17 0.02 0.00 0.00 175.26 174.32 1rw9 s LEU 696 N 0.70 3.32 -0.14 1.80 2.96 -0.20 -0.65 118.68 126.47 1rw9 s LEU 696 Ca -0.14 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1rw9 s LEU 696 Cb -0.15 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1rw9 s LEU 696 CO 0.03 0.00 0.10 -0.44 -1.32 0.00 0.00 176.35 174.72 1rw9 s SER 697 N 1.39 5.99 0.03 3.68 0.01 0.06 -0.72 113.70 124.15 1rw9 s SER 697 Ca 0.05 0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.62 1rw9 s SER 697 Cb -0.15 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 1rw9 s SER 697 CO 0.02 0.30 -0.09 -0.76 0.41 0.00 0.00 173.24 173.13 1rw9 s LEU 698 N -0.40 2.17 -0.06 2.44 1.02 -0.03 -1.31 118.68 122.51 1rw9 s LEU 698 Ca 0.11 -0.41 0.06 0.00 0.02 0.00 0.00 54.13 53.91 1rw9 s LEU 698 Cb -0.12 -0.30 -0.01 0.00 0.02 0.00 0.00 46.19 45.78 1rw9 s LEU 698 CO 0.02 -0.07 -0.24 0.00 0.02 0.00 0.00 176.35 176.07 1rw9 s ALA 699 N -0.91 2.22 -0.01 4.21 0.00 0.51 -1.17 121.76 126.60 1rw9 s ALA 699 Ca -0.04 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 1rw9 s ALA 699 Cb -0.07 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.34 1rw9 s ALA 699 CO 0.00 0.41 0.02 0.08 0.00 0.00 0.00 175.76 176.28 1rw9 s VAL 700 N -0.15 -0.02 0.18 0.00 1.01 -0.50 -1.19 120.40 119.72 1rw9 s VAL 700 Ca -0.04 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1rw9 s VAL 700 Cb -0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1rw9 s VAL 700 CO 0.04 0.03 -0.17 -0.94 0.00 0.00 0.00 175.10 174.06 1rw9 s SER 701 N 0.42 2.63 -0.62 3.32 1.04 -0.44 -0.76 113.70 119.30 1rw9 s SER 701 Ca -0.03 -0.90 -0.05 0.00 0.48 0.00 0.00 55.95 55.44 1rw9 s SER 701 Cb -0.05 -0.15 0.16 0.00 0.10 0.00 0.00 66.02 66.08 1rw9 s SER 701 CO -0.01 -0.08 0.45 -0.70 0.98 0.00 0.00 173.24 173.89 1rw9 s GLU 702 N -3.02 2.65 0.02 4.02 -6.30 -1.26 -1.83 118.70 112.97 1rw9 s GLU 702 Ca 0.17 -2.37 0.29 0.00 -2.50 0.00 0.00 54.97 50.56 1rw9 s GLU 702 Cb -0.04 -3.84 1.19 0.00 0.00 0.00 0.00 34.13 31.44 1rw9 s GLU 702 CO 0.07 -1.18 1.91 -0.35 0.02 0.00 0.00 175.26 175.72 1rw9 n PRO 703 N 3.82 0.03 0.18 4.30 -0.04 -1.26 -2.63 135.00 139.40 1rw9 n PRO 703 Ca 0.06 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1rw9 n PRO 703 Cb 0.40 -1.53 0.34 0.00 -0.04 0.00 0.00 33.50 32.67 1rw9 n PRO 703 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1rw9 h THR 704 N 0.00 1.13 -0.23 0.52 1.35 -1.87 -3.40 112.91 110.41 1rw9 h THR 704 Ca 0.00 -1.48 -0.10 0.00 -0.55 0.00 0.00 66.41 64.28 1rw9 h THR 704 Cb 0.52 1.84 -0.04 0.00 -1.73 0.00 0.00 68.15 68.74 1rw9 h THR 704 CO 0.00 0.40 -0.09 0.00 -0.25 0.00 0.00 175.52 175.58 1rw9 n GLN 705 N -3.81 -0.83 0.00 4.72 6.02 -1.08 -4.83 117.38 117.57 1rw9 n GLN 705 Ca -0.01 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1rw9 n GLN 705 Cb 0.47 -4.35 0.00 0.00 1.02 0.00 0.00 30.24 27.38 1rw9 n GLN 705 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1rw9 n LYS 706 N -1.86 2.23 -3.31 -1.09 5.02 -1.26 -4.68 118.16 113.21 1rw9 n LYS 706 Ca -0.05 -0.09 -0.38 0.00 -2.02 0.00 0.00 58.31 55.77 1rw9 n LYS 706 Cb 0.28 -0.43 -0.06 0.00 -0.02 0.00 0.00 35.03 34.80 1rw9 n LYS 706 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rw9 s ALA 707 N -0.34 3.56 -0.10 7.82 0.00 -1.26 -4.97 121.76 126.46 1rw9 s ALA 707 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 51.96 52.07 1rw9 s ALA 707 Cb 0.00 -2.62 0.33 0.00 0.00 0.00 0.00 23.12 20.83 1rw9 s ALA 707 CO 0.00 0.26 1.57 0.00 0.00 0.00 0.00 175.76 177.59 1rw9 h ALA 708 N 5.38 0.81 -2.52 0.00 0.00 -1.97 -3.34 119.26 117.61 1rw9 h ALA 708 Ca -0.47 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 1rw9 h ALA 708 Cb 1.20 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 1rw9 h ALA 708 CO 0.67 0.48 -0.40 0.20 0.00 0.00 0.00 179.25 180.20 1rw9 s GLY 709 N -4.39 0.33 -0.15 0.00 0.00 -1.26 -0.36 107.32 101.48 1rw9 s GLY 709 Ca 0.03 -0.83 -0.11 0.00 0.00 0.00 0.00 44.72 43.81 1rw9 s GLY 709 CO 0.71 -0.90 0.39 -2.27 0.00 0.00 0.00 173.10 171.02 1rw9 s LEU 710 N -2.92 0.25 -0.16 0.66 2.96 -0.94 -4.86 118.68 113.68 1rw9 s LEU 710 Ca 0.11 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 1rw9 s LEU 710 Cb 0.05 1.29 0.01 0.00 0.50 0.00 0.00 46.19 48.04 1rw9 s LEU 710 CO -0.06 -0.16 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.73 1rw9 s THR 711 N 0.79 2.33 0.02 3.68 2.01 -1.26 -1.00 115.64 122.20 1rw9 s THR 711 Ca -0.05 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 1rw9 s THR 711 Cb -0.06 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 1rw9 s THR 711 CO -0.06 0.53 0.33 -0.76 -0.69 0.00 0.00 174.62 173.97 1rw9 s LEU 712 N 0.98 4.39 -0.36 4.42 1.43 0.21 -1.23 118.68 128.51 1rw9 s LEU 712 Ca -0.03 0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 53.63 1rw9 s LEU 712 Cb -0.15 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1rw9 s LEU 712 CO -0.04 0.26 0.37 -0.89 0.23 0.00 0.00 176.35 176.28 1rw9 s THR 713 N -1.26 5.16 0.22 5.49 2.01 -0.09 -0.92 115.64 126.25 1rw9 s THR 713 Ca 0.27 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1rw9 s THR 713 Cb -0.14 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 1rw9 s THR 713 CO 0.15 -0.16 0.97 -0.76 -0.69 0.00 0.00 174.62 174.13 1rw9 s LEU 714 N 2.03 4.61 0.91 4.42 1.43 0.56 -1.00 118.68 131.64 1rw9 s LEU 714 Ca 0.12 1.97 -0.15 0.00 -1.03 0.00 0.00 54.13 55.04 1rw9 s LEU 714 Cb -0.17 -3.61 0.16 0.00 0.03 0.00 0.00 46.19 42.60 1rw9 s LEU 714 CO 0.12 0.07 1.27 -2.16 0.23 0.00 0.00 176.35 175.88 1rw9 s PRO 715 N -0.99 1.07 -1.32 1.29 0.04 -1.17 -4.57 135.00 129.34 1rw9 s PRO 715 Ca 0.43 -0.21 -0.02 0.00 0.04 0.00 0.00 61.00 61.24 1rw9 s PRO 715 Cb -0.26 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1rw9 s PRO 715 CO 0.33 -2.16 0.31 0.39 0.04 0.00 0.00 177.00 175.91 1rw9 n GLU 716 N -3.63 -2.97 0.00 4.56 -0.58 -1.26 -4.76 120.64 111.99 1rw9 n GLU 716 Ca 0.12 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 1rw9 n GLU 716 Cb 0.60 -5.23 0.00 0.00 -0.57 0.00 0.00 31.44 26.24 1rw9 n GLU 716 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rw9 n GLY 717 N -1.24 -0.64 3.94 0.62 0.00 -1.26 -4.96 105.19 101.64 1rw9 n GLY 717 Ca -0.13 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 1rw9 n GLY 717 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rw9 s THR 718 N 0.00 5.33 -0.03 2.61 -4.23 -1.26 -4.54 115.64 113.52 1rw9 s THR 718 Ca 0.00 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1rw9 s THR 718 Cb 0.00 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1rw9 s THR 718 CO 0.00 -0.06 0.01 0.26 -0.54 0.00 0.00 174.62 174.29 1rw9 s TRP 719 N -1.71 0.31 -0.12 3.99 0.52 -1.26 -4.63 118.94 116.04 1rw9 s TRP 719 Ca 0.35 0.01 0.05 0.00 0.02 0.00 0.00 56.10 56.53 1rw9 s TRP 719 Cb -0.11 -0.44 -0.06 0.00 -1.15 0.00 0.00 33.47 31.70 1rw9 s TRP 719 CO 0.28 -0.15 0.16 -1.13 0.02 0.00 0.00 176.95 176.13 1rw9 n SER 720 N 4.32 1.90 -3.86 2.95 3.41 -0.74 -4.92 113.62 116.69 1rw9 n SER 720 Ca -0.23 -0.33 -0.09 0.00 -0.26 0.00 0.00 58.87 57.96 1rw9 n SER 720 Cb 0.50 1.10 -0.08 0.00 -0.26 0.00 0.00 64.21 65.48 1rw9 n SER 720 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rw9 s SER 721 N -1.96 0.10 -0.34 4.04 1.04 -1.08 -5.02 113.70 110.48 1rw9 s SER 721 Ca 0.00 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 1rw9 s SER 721 Cb 0.03 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1rw9 s SER 721 CO 0.20 -0.65 0.23 -0.69 0.98 0.00 0.00 173.24 173.31 1rw9 s VAL 722 N -3.29 5.16 -0.13 5.02 1.01 -1.26 -0.17 120.40 126.73 1rw9 s VAL 722 Ca 0.01 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 1rw9 s VAL 722 Cb 0.02 -3.66 -0.26 0.00 0.00 0.00 0.00 36.38 32.48 1rw9 s VAL 722 CO -0.08 -0.02 0.70 -0.07 0.00 0.00 0.00 175.10 175.64 1rw9 h LEU 723 N 8.47 0.09 -8.23 3.92 3.38 -0.85 -3.48 115.31 118.62 1rw9 h LEU 723 Ca -0.31 -0.92 -0.49 0.00 0.09 0.00 0.00 57.88 56.25 1rw9 h LEU 723 Cb 1.15 -0.03 -0.29 0.00 0.09 0.00 0.00 40.66 41.59 1rw9 h LEU 723 CO 0.64 1.16 -0.81 -1.61 0.09 0.00 0.00 178.44 177.90 1rw9 s GLU 724 N -2.28 1.15 0.93 1.13 2.02 -0.88 -4.97 118.70 115.81 1rw9 s GLU 724 Ca -0.20 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1rw9 s GLU 724 Cb -0.01 -1.12 0.00 0.00 0.10 0.00 0.00 34.13 33.10 1rw9 s GLU 724 CO 0.70 0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.70 1rw9 n GLY 725 N 2.67 -1.83 3.39 -1.39 0.00 -1.26 -1.39 105.19 105.37 1rw9 n GLY 725 Ca -0.14 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 1rw9 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw9 s ALA 726 N -1.34 2.36 0.00 4.61 0.00 -1.26 -4.99 121.76 121.14 1rw9 s ALA 726 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1rw9 s ALA 726 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1rw9 s ALA 726 CO 0.00 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.66 1rw9 n GLY 727 N 0.75 3.77 3.30 0.00 0.00 -1.26 -4.93 105.19 106.82 1rw9 n GLY 727 Ca -0.17 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 1rw9 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rw9 s THR 728 N -2.00 3.57 0.22 2.61 2.01 -0.28 -4.93 115.64 116.83 1rw9 s THR 728 Ca 0.00 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1rw9 s THR 728 Cb 0.00 -2.81 -0.08 0.00 0.01 0.00 0.00 72.50 69.62 1rw9 s THR 728 CO 0.00 0.15 1.05 -0.76 -0.69 0.00 0.00 174.62 174.38 1rw9 s LEU 729 N 1.44 4.55 0.00 4.42 1.43 -1.26 -0.83 118.68 128.43 1rw9 s LEU 729 Ca 0.02 2.09 -0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1rw9 s LEU 729 Cb -0.17 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1rw9 s LEU 729 CO -0.00 -0.09 0.27 0.61 0.23 0.00 0.00 176.35 177.37 1rw9 n GLY 730 N 1.65 2.62 2.84 -3.19 0.00 -0.40 -4.96 105.19 103.76 1rw9 n GLY 730 Ca 0.00 -1.55 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 1rw9 n GLY 730 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rw9 s THR 731 N -2.67 -0.04 0.18 2.61 2.01 -1.26 -0.65 115.64 115.82 1rw9 s THR 731 Ca 0.18 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1rw9 s THR 731 Cb -0.00 -0.10 0.04 0.00 0.01 0.00 0.00 72.50 72.45 1rw9 s THR 731 CO 0.13 0.06 0.25 -0.90 -0.69 0.00 0.00 174.62 173.46 1rw9 n ASP 732 N 3.81 0.34 0.24 3.53 5.68 0.45 -4.91 116.55 125.69 1rw9 n ASP 732 Ca -0.22 -1.28 0.11 0.00 -0.50 0.00 0.00 54.79 52.89 1rw9 n ASP 732 Cb 0.54 -0.16 0.53 0.00 -1.14 0.00 0.00 41.12 40.89 1rw9 n ASP 732 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rw9 h ALA 733 N -0.46 1.06 -0.47 2.12 0.00 -2.02 -2.78 119.26 116.71 1rw9 h ALA 733 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rw9 h ALA 733 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rw9 h ALA 733 CO 0.09 0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 1rw9 n ASP 734 N -3.39 3.49 0.00 0.00 9.92 -1.26 -4.94 116.55 120.36 1rw9 n ASP 734 Ca -0.00 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.27 1rw9 n ASP 734 Cb 0.38 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 1rw9 n ASP 734 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rw9 n GLY 735 N 1.53 0.63 3.81 0.44 0.00 -1.05 -5.05 105.19 105.50 1rw9 n GLY 735 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1rw9 n GLY 735 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rw9 s ARG 736 N -0.14 4.26 0.32 1.61 0.52 -1.26 -4.77 118.95 119.49 1rw9 s ARG 736 Ca 0.00 0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 55.81 1rw9 s ARG 736 Cb 0.00 -2.89 -0.09 0.00 0.52 0.00 0.00 34.95 32.49 1rw9 s ARG 736 CO 0.00 0.40 1.09 -1.12 0.02 0.00 0.00 175.30 175.69 1rw9 s SER 737 N -1.64 7.08 0.20 0.23 0.01 -1.26 -0.41 113.70 117.91 1rw9 s SER 737 Ca 0.43 2.22 0.11 0.00 1.31 0.00 0.00 55.95 60.01 1rw9 s SER 737 Cb -0.17 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.40 1rw9 s SER 737 CO 0.21 -0.27 -0.18 0.42 0.41 0.00 0.00 173.24 173.83 1rw9 s THR 738 N -1.31 2.70 -0.13 1.44 -4.23 0.17 -0.33 115.64 113.97 1rw9 s THR 738 Ca 0.49 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1rw9 s THR 738 Cb -0.29 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.24 1rw9 s THR 738 CO 0.38 -0.16 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.04 1rw9 s LEU 739 N -2.87 1.17 -0.20 4.79 2.96 -0.09 -1.28 118.68 123.16 1rw9 s LEU 739 Ca 0.24 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1rw9 s LEU 739 Cb -0.08 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 1rw9 s LEU 739 CO 0.13 -0.17 0.03 -0.89 -1.32 0.00 0.00 176.35 174.12 1rw9 s THR 740 N 1.76 4.29 -0.01 3.68 2.01 -0.01 -0.62 115.64 126.74 1rw9 s THR 740 Ca 0.03 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1rw9 s THR 740 Cb -0.14 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1rw9 s THR 740 CO -0.07 0.43 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.43 1rw9 s LEU 741 N 0.80 3.02 -0.34 4.42 1.43 -0.17 -1.13 118.68 126.71 1rw9 s LEU 741 Ca 0.02 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.74 1rw9 s LEU 741 Cb -0.14 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1rw9 s LEU 741 CO 0.02 0.30 0.64 -0.62 0.23 0.00 0.00 176.35 176.93 1rw9 s ASP 742 N -1.22 6.45 0.00 2.29 -1.08 -1.26 -2.20 116.67 119.65 1rw9 s ASP 742 Ca 0.15 0.22 0.12 0.00 -0.52 0.00 0.00 52.55 52.53 1rw9 s ASP 742 Cb -0.11 -2.33 0.34 0.00 -1.46 0.00 0.00 42.92 39.36 1rw9 s ASP 742 CO 0.05 -0.57 1.27 0.35 0.52 0.00 0.00 175.17 176.79 1rw9 n THR 743 N 5.55 0.95 -1.69 1.71 -2.24 0.51 -4.98 114.28 114.10 1rw9 n THR 743 Ca -0.01 -0.98 -0.50 0.00 -2.27 0.00 0.00 64.05 60.29 1rw9 n THR 743 Cb 0.49 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 1rw9 n THR 743 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1rw9 n THR 744 N 0.67 0.50 -1.21 4.28 -1.04 -1.08 -2.20 114.28 114.20 1rw9 n THR 744 Ca 0.13 -0.09 -0.07 0.00 -2.04 0.00 0.00 64.05 61.98 1rw9 n THR 744 Cb 0.45 -1.72 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 1rw9 n THR 744 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rw9 n GLY 745 N 4.33 0.91 0.06 3.41 0.00 -1.26 -4.90 105.19 107.74 1rw9 n GLY 745 Ca 0.23 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1rw9 n GLY 745 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rw9 n LEU 746 N -0.84 0.37 -3.67 0.99 4.77 -0.93 -4.90 117.00 112.80 1rw9 n LEU 746 Ca -0.07 0.56 -0.28 0.00 -0.03 0.00 0.00 56.01 56.19 1rw9 n LEU 746 Cb 0.31 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1rw9 n LEU 746 CO 0.11 -0.22 0.06 -1.20 -1.33 0.00 0.00 177.39 174.82 1rw9 n SER 747 N -1.87 -4.79 0.00 -1.43 7.64 -1.26 -1.11 113.62 110.80 1rw9 n SER 747 Ca 0.05 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1rw9 n SER 747 Cb 0.31 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1rw9 n SER 747 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rw9 n GLY 748 N -1.56 0.77 3.81 0.23 0.00 -1.26 -4.52 105.19 102.66 1rw9 n GLY 748 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1rw9 n GLY 748 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rw9 s LYS 749 N -0.14 3.00 0.07 1.61 1.02 -0.27 -4.71 119.74 120.33 1rw9 s LYS 749 Ca 0.00 1.03 -0.22 0.00 0.02 0.00 0.00 55.97 56.80 1rw9 s LYS 749 Cb 0.00 -2.00 -0.06 0.00 -0.52 0.00 0.00 37.83 35.25 1rw9 s LYS 749 CO 0.00 -1.05 0.66 0.99 -0.92 0.00 0.00 175.35 175.03 1rw9 s THR 750 N -2.88 4.69 -0.16 2.17 2.01 -1.26 -4.50 115.64 115.72 1rw9 s THR 750 Ca 0.60 1.42 -0.07 0.00 0.31 0.00 0.00 61.69 63.95 1rw9 s THR 750 Cb -0.15 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1rw9 s THR 750 CO 0.50 0.47 0.08 -0.54 -0.69 0.00 0.00 174.62 174.45 1rw9 s LYS 751 N -0.67 3.74 -0.17 4.92 -0.14 0.06 -4.94 119.74 122.53 1rw9 s LYS 751 Ca 0.33 -0.28 -0.07 0.00 -1.36 0.00 0.00 55.97 54.59 1rw9 s LYS 751 Cb -0.20 -3.18 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 1rw9 s LYS 751 CO 0.21 0.46 0.04 -0.51 -0.76 0.00 0.00 175.35 174.80 1rw9 s LEU 752 N -0.16 3.73 0.02 3.17 1.43 -1.26 -1.41 118.68 124.19 1rw9 s LEU 752 Ca 0.08 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 1rw9 s LEU 752 Cb -0.12 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1rw9 s LEU 752 CO 0.01 0.19 -0.14 -0.63 0.23 0.00 0.00 176.35 176.01 1rw9 s ILE 753 N 0.29 1.08 -0.06 -0.59 1.09 -0.32 -4.36 121.20 118.32 1rw9 s ILE 753 Ca 0.02 -0.80 0.01 0.00 -1.10 0.00 0.00 60.65 58.78 1rw9 s ILE 753 Cb -0.13 -0.95 0.02 0.00 -1.06 0.00 0.00 42.46 40.35 1rw9 s ILE 753 CO 0.01 0.14 -0.06 -0.75 -0.10 0.00 0.00 174.94 174.17 1rw9 s LYS 754 N -0.76 1.10 0.14 2.79 2.20 -0.48 -0.85 119.74 123.88 1rw9 s LYS 754 Ca 0.03 -0.17 0.06 0.00 -0.36 0.00 0.00 55.97 55.53 1rw9 s LYS 754 Cb -0.07 -1.09 -0.04 0.00 -1.51 0.00 0.00 37.83 35.13 1rw9 s LYS 754 CO 0.00 -0.11 0.00 -0.51 -0.36 0.00 0.00 175.35 174.38 1rw9 s LEU 755 N 1.09 3.39 -0.07 5.43 1.43 0.10 -0.14 118.68 129.91 1rw9 s LEU 755 Ca -0.08 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1rw9 s LEU 755 Cb -0.14 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1rw9 s LEU 755 CO -0.01 0.12 -0.12 -0.75 0.23 0.00 0.00 176.35 175.82 1rw9 s LYS 756 N -2.69 2.69 0.00 1.70 2.20 0.76 -1.03 119.74 123.36 1rw9 s LYS 756 Ca 0.27 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1rw9 s LYS 756 Cb -0.10 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 1rw9 s LYS 756 CO 0.19 0.58 0.28 -2.13 -0.36 0.00 0.00 175.35 173.90