#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nub n GLY 2 N 0.00 4.15 3.56 -5.12 0.00 -1.26 -5.00 105.19 101.51 2nub n GLY 2 Ca 0.00 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 2nub n GLY 2 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nub s LYS 3 N 4.26 3.68 0.02 1.61 -2.85 -1.26 -5.06 119.74 120.15 2nub s LYS 3 Ca 0.00 -0.45 -0.04 0.00 -1.00 0.00 0.00 55.97 54.48 2nub s LYS 3 Cb 0.00 -2.99 -0.02 0.00 -2.06 0.00 0.00 37.83 32.76 2nub s LYS 3 CO 0.00 0.31 0.07 -1.91 0.10 0.00 0.00 175.35 173.92 2nub n GLU 4 N 3.35 0.00 -4.09 1.78 2.13 -1.26 -4.52 120.64 118.04 2nub n GLU 4 Ca -0.17 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.50 2nub n GLU 4 Cb 0.53 -0.13 -0.14 0.00 0.27 0.00 0.00 31.44 31.97 2nub n GLU 4 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nub s ALA 5 N -0.12 0.38 0.13 4.31 0.00 -1.26 -4.36 121.76 120.84 2nub s ALA 5 Ca 0.08 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.79 2nub s ALA 5 Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2nub s ALA 5 CO 0.07 0.05 0.03 -0.51 0.00 0.00 0.00 175.76 175.40 2nub s LEU 6 N -0.44 3.50 -0.05 0.00 1.02 0.16 -2.92 118.68 119.95 2nub s LEU 6 Ca -0.01 -0.23 0.05 0.00 0.02 0.00 0.00 54.13 53.96 2nub s LEU 6 Cb -0.04 -2.18 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 2nub s LEU 6 CO -0.00 0.13 -0.21 -0.76 0.02 0.00 0.00 176.35 175.53 2nub s LEU 7 N -2.66 1.99 -1.11 1.79 1.43 0.20 0.16 118.68 120.48 2nub s LEU 7 Ca 0.27 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 2nub s LEU 7 Cb -0.11 -1.14 -0.07 0.00 0.03 0.00 0.00 46.19 44.90 2nub s LEU 7 CO 0.20 0.20 2.26 -0.46 0.23 0.00 0.00 176.35 178.78 2nub n ASN 8 N 3.01 5.00 -3.99 2.29 6.94 -1.21 -2.72 115.26 124.58 2nub n ASN 8 Ca -0.18 -2.54 -0.20 0.00 -0.02 0.00 0.00 54.58 51.64 2nub n ASN 8 Cb 0.53 -1.28 -0.16 0.00 -2.36 0.00 0.00 39.78 36.51 2nub n ASN 8 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2nub s LEU 9 N 0.69 1.73 -0.07 -4.53 1.43 -1.26 -3.21 118.68 113.45 2nub s LEU 9 Ca 0.51 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2nub s LEU 9 Cb 0.13 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.83 2nub s LEU 9 CO -0.01 0.05 -0.07 -0.31 0.23 0.00 0.00 176.35 176.23 2nub s TYR 10 N 0.30 1.14 0.19 0.29 1.51 -0.52 -1.68 117.35 118.59 2nub s TYR 10 Ca -0.05 -0.43 -0.33 0.00 -1.01 0.00 0.00 57.07 55.26 2nub s TYR 10 Cb -0.10 -0.94 -0.14 0.00 -0.11 0.00 0.00 41.96 40.67 2nub s TYR 10 CO 0.01 -0.30 1.40 -2.13 -1.11 0.00 0.00 175.55 173.41 2nub n ARG 11 N 4.27 1.82 -4.30 -0.62 0.63 -1.26 0.11 116.66 117.30 2nub n ARG 11 Ca -0.20 0.65 -0.23 0.00 -0.92 0.00 0.00 57.85 57.15 2nub n ARG 11 Cb 0.51 -2.30 -0.12 0.00 0.45 0.00 0.00 32.46 31.00 2nub n ARG 11 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2nub s ILE 12 N 0.19 1.74 -0.06 5.15 2.07 -0.87 -0.74 121.20 128.69 2nub s ILE 12 Ca 0.73 -1.70 -0.21 0.00 -1.41 0.00 0.00 60.65 58.07 2nub s ILE 12 Cb -0.72 -1.67 0.04 0.00 0.13 0.00 0.00 42.46 40.25 2nub s ILE 12 CO 0.47 -0.17 0.47 -1.61 -1.91 0.00 0.00 174.94 172.19 2nub s GLU 13 N -2.28 0.78 -0.38 3.50 2.02 0.13 -4.26 118.70 118.20 2nub s GLU 13 Ca 0.10 0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.23 2nub s GLU 13 Cb -0.08 0.36 0.12 0.00 0.10 0.00 0.00 34.13 34.63 2nub s GLU 13 CO 0.05 -0.21 0.18 -0.47 0.02 0.00 0.00 175.26 174.83 2nub s TYR 14 N -0.97 1.85 -0.51 1.61 5.04 -1.26 0.47 117.35 123.57 2nub s TYR 14 Ca -0.10 -2.14 0.04 0.00 -2.44 0.00 0.00 57.07 52.42 2nub s TYR 14 Cb -0.03 -1.79 0.14 0.00 0.35 0.00 0.00 41.96 40.62 2nub s TYR 14 CO 0.05 -0.83 0.28 1.03 -1.34 0.00 0.00 175.55 174.75 2nub s ARG 15 N 0.87 1.82 0.61 4.97 3.00 -0.64 -4.72 118.95 124.85 2nub s ARG 15 Ca 0.15 -2.52 -0.10 0.00 0.00 0.00 0.00 55.73 53.26 2nub s ARG 15 Cb -0.22 -3.02 -0.03 0.00 0.00 0.00 0.00 34.95 31.68 2nub s ARG 15 CO -0.09 -1.15 0.99 -1.25 0.00 0.00 0.00 175.30 173.81 2nub s PRO 16 N -0.23 3.48 -0.06 3.54 0.04 -1.26 -4.68 135.00 135.83 2nub s PRO 16 Ca 0.18 0.60 -0.17 0.00 0.04 0.00 0.00 61.00 61.66 2nub s PRO 16 Cb -0.23 -2.13 -0.12 0.00 0.04 0.00 0.00 34.50 32.06 2nub s PRO 16 CO -0.02 -0.57 0.67 0.87 0.04 0.00 0.00 177.00 177.99 2nub h LYS 17 N -0.26 -0.23 -5.55 4.56 1.57 -1.94 -3.38 116.57 111.34 2nub h LYS 17 Ca -0.45 0.02 -0.66 0.00 -1.87 0.00 0.00 60.65 57.69 2nub h LYS 17 Cb 1.20 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.49 2nub h LYS 17 CO 0.62 0.12 2.25 -3.47 -0.57 0.00 0.00 179.45 178.40 2nub n ASP 18 N -4.92 4.60 0.00 0.86 4.64 -1.26 -4.83 116.55 115.64 2nub n ASP 18 Ca -0.06 -2.89 0.01 0.00 -1.38 0.00 0.00 54.79 50.47 2nub n ASP 18 Cb 0.23 -1.73 0.06 0.00 -1.04 0.00 0.00 41.12 38.64 2nub n ASP 18 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2nub n THR 19 N 6.33 0.00 -2.76 5.18 -2.24 -1.26 -4.78 114.28 114.75 2nub n THR 19 Ca 0.49 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.85 2nub n THR 19 Cb 0.45 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 2nub n THR 19 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2nub s THR 20 N -2.00 4.80 0.19 4.28 2.01 -1.26 0.29 115.64 123.94 2nub s THR 20 Ca 0.03 1.88 0.09 0.00 0.31 0.00 0.00 61.69 63.99 2nub s THR 20 Cb 0.01 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2nub s THR 20 CO 0.02 -0.03 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.39 2nub s PHE 21 N 2.36 1.84 -0.20 4.92 0.40 -0.69 -3.59 117.98 123.02 2nub s PHE 21 Ca 0.43 -0.48 -0.03 0.00 -0.60 0.00 0.00 56.93 56.25 2nub s PHE 21 Cb -0.17 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.47 2nub s PHE 21 CO 0.13 0.38 -0.06 0.99 0.70 0.00 0.00 175.22 177.35 2nub s THR 22 N -2.34 3.32 0.03 0.64 2.01 -0.94 -1.63 115.64 116.73 2nub s THR 22 Ca 0.19 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2nub s THR 22 Cb -0.04 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 2nub s THR 22 CO 0.07 0.45 0.14 0.54 -0.69 0.00 0.00 174.62 175.14 2nub s VAL 23 N 1.15 5.03 -0.21 3.82 0.11 -1.23 -1.26 120.40 127.81 2nub s VAL 23 Ca 0.02 -0.43 -0.02 0.00 -2.93 0.00 0.00 61.98 58.61 2nub s VAL 23 Cb -0.14 -3.39 0.06 0.00 -1.53 0.00 0.00 36.38 31.38 2nub s VAL 23 CO -0.01 0.23 0.04 -0.36 -3.33 0.00 0.00 175.10 171.66 2nub s PHE 24 N -1.36 1.17 0.39 1.54 0.40 -0.82 -1.35 117.98 117.94 2nub s PHE 24 Ca 0.29 -1.01 -0.14 0.00 -0.60 0.00 0.00 56.93 55.47 2nub s PHE 24 Cb -0.12 -1.13 -0.08 0.00 0.51 0.00 0.00 43.02 42.20 2nub s PHE 24 CO 0.21 -0.65 0.81 0.15 0.70 0.00 0.00 175.22 176.44 2nub s LYS 25 N 1.81 3.95 1.12 0.44 1.02 -0.66 -3.40 119.74 124.01 2nub s LYS 25 Ca -0.00 0.70 -0.18 0.00 0.02 0.00 0.00 55.97 56.51 2nub s LYS 25 Cb -0.17 -2.34 0.26 0.00 -0.52 0.00 0.00 37.83 35.06 2nub s LYS 25 CO -0.10 0.01 1.19 -2.14 -0.92 0.00 0.00 175.35 173.39 2nub s PRO 26 N -3.45 -0.62 -0.23 -1.68 0.02 -1.26 0.45 135.00 128.22 2nub s PRO 26 Ca 0.55 -0.24 0.01 0.00 0.02 0.00 0.00 61.00 61.34 2nub s PRO 26 Cb -0.10 -1.68 -0.19 0.00 0.02 0.00 0.00 34.50 32.55 2nub s PRO 26 CO 0.23 -3.28 -0.10 2.41 -0.33 0.00 0.00 177.00 175.94 2nub n THR 27 N -4.42 1.54 -0.84 0.99 -1.04 -1.06 -4.58 114.28 104.87 2nub n THR 27 Ca 0.14 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2nub n THR 27 Cb 0.59 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 2nub n THR 27 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2nub n HIS 28 N -3.28 0.00 -4.09 -1.42 8.25 -1.26 -5.12 115.22 108.29 2nub n HIS 28 Ca -0.43 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.72 2nub n HIS 28 Cb 1.01 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 32.05 2nub n HIS 28 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2nub s GLU 29 N 4.05 2.98 -0.62 -0.41 1.03 -1.26 -5.05 118.70 119.41 2nub s GLU 29 Ca 0.00 -0.57 -0.26 0.00 0.03 0.00 0.00 54.97 54.17 2nub s GLU 29 Cb 0.00 -2.80 -0.07 0.00 -0.80 0.00 0.00 34.13 30.46 2nub s GLU 29 CO 0.00 0.61 2.24 0.96 -1.33 0.00 0.00 175.26 177.74 2nub s ILE 30 N -1.27 3.13 -1.73 1.83 -4.36 -1.26 -4.82 121.20 112.73 2nub s ILE 30 Ca 0.25 0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.65 2nub s ILE 30 Cb -0.12 -3.33 0.00 0.00 1.25 0.00 0.00 42.46 40.26 2nub s ILE 30 CO 0.17 -0.31 0.18 1.67 0.24 0.00 0.00 174.94 176.89 2nub n GLN 31 N 9.00 0.21 0.00 0.37 -0.06 -1.26 -4.80 117.38 120.84 2nub n GLN 31 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.35 2nub n GLN 31 Cb 0.51 -1.03 0.00 0.00 -4.06 0.00 0.00 30.24 25.66 2nub n GLN 31 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2nub n LYS 32 N -0.26 0.00 -0.12 3.69 5.02 -1.26 -2.64 118.16 122.60 2nub n LYS 32 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 2nub n LYS 32 Cb 0.01 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.47 2nub n LYS 32 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2nub h GLU 33 N 0.00 0.52 0.00 1.97 4.39 -2.03 -0.24 114.58 119.19 2nub h GLU 33 Ca 0.00 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 2nub h GLU 33 Cb 0.00 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2nub h GLU 33 CO 0.00 0.34 -0.87 1.57 -1.16 0.00 0.00 179.01 178.89 2nub h LYS 34 N 0.54 0.00 -0.64 2.33 2.10 -1.89 -3.35 116.57 115.65 2nub h LYS 34 Ca 0.29 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 59.07 2nub h LYS 34 Cb 0.43 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.64 2nub h LYS 34 CO -0.09 0.80 -0.20 -0.07 -2.00 0.00 0.00 179.45 177.89 2nub h LEU 35 N 0.00 -0.73 0.00 7.07 3.38 -1.26 1.01 115.31 124.78 2nub h LEU 35 Ca -0.02 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2nub h LEU 35 Cb 1.65 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.84 2nub h LEU 35 CO 0.10 -0.24 0.00 0.59 0.09 0.00 0.00 178.44 178.99 2nub n ASN 36 N -5.45 0.00 -0.09 -0.43 3.02 -1.22 -0.76 115.26 110.33 2nub n ASN 36 Ca 0.07 -1.08 -0.15 0.00 -0.03 0.00 0.00 54.58 53.40 2nub n ASN 36 Cb 0.35 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.46 2nub n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2nub n LYS 37 N -0.70 0.47 -0.30 3.52 4.76 0.29 -4.13 118.16 122.06 2nub n LYS 37 Ca 0.07 0.19 0.28 0.00 -2.87 0.00 0.00 58.31 55.98 2nub n LYS 37 Cb 0.03 -1.30 0.62 0.00 -1.84 0.00 0.00 35.03 32.54 2nub n LYS 37 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2nub h VAL 38 N -0.84 0.49 -0.23 -0.18 2.07 0.10 0.33 116.25 117.98 2nub h VAL 38 Ca -0.26 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 2nub h VAL 38 Cb 1.13 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2nub h VAL 38 CO -0.16 0.04 -0.27 -0.09 0.02 0.00 0.00 177.57 177.11 2nub h ARG 39 N 0.20 0.59 -0.57 1.57 2.43 -1.16 -1.77 114.38 115.68 2nub h ARG 39 Ca 0.56 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 2nub h ARG 39 Cb 1.80 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.33 2nub h ARG 39 CO -0.16 0.93 0.36 2.35 -1.51 0.00 0.00 179.97 181.94 2nub h TRP 40 N 0.29 0.67 -0.09 2.20 7.01 -0.55 -0.38 115.95 125.11 2nub h TRP 40 Ca 0.03 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.96 2nub h TRP 40 Cb 0.83 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 2nub h TRP 40 CO 0.08 0.39 -0.35 0.00 -2.79 0.00 0.00 178.44 175.77 2nub h ARG 41 N 0.71 0.17 -0.58 2.65 3.08 -1.27 -1.90 114.38 117.24 2nub h ARG 41 Ca 0.22 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 2nub h ARG 41 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2nub h ARG 41 CO -0.08 0.51 0.18 0.28 -1.07 0.00 0.00 179.97 179.78 2nub h VAL 42 N 0.15 1.24 0.15 2.04 2.07 -0.59 -0.51 116.25 120.80 2nub h VAL 42 Ca 0.02 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2nub h VAL 42 Cb 0.70 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2nub h VAL 42 CO 0.05 0.31 -0.19 0.15 0.02 0.00 0.00 177.57 177.91 2nub h PHE 43 N 0.81 -0.53 -0.15 1.57 3.57 -0.32 0.17 116.94 122.07 2nub h PHE 43 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2nub h PHE 43 Cb 0.29 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 2nub h PHE 43 CO 0.02 -0.24 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.41 2nub h LEU 44 N -0.35 -1.21 -0.98 0.59 3.38 -1.30 1.82 115.31 117.26 2nub h LEU 44 Ca -0.02 0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.26 2nub h LEU 44 Cb 0.31 0.48 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 2nub h LEU 44 CO -0.04 -0.31 0.59 1.56 0.09 0.00 0.00 178.44 180.32 2nub h GLN 45 N -0.36 0.79 0.00 1.13 4.20 -1.09 -1.88 115.11 117.90 2nub h GLN 45 Ca 0.03 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 2nub h GLN 45 Cb 0.45 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2nub h GLN 45 CO -0.33 0.52 -0.74 1.15 -0.67 0.00 0.00 178.83 178.76 2nub h THR 46 N 0.81 0.62 -0.43 -0.54 2.02 0.22 -3.47 112.91 112.13 2nub h THR 46 Ca 0.53 -1.95 -0.19 0.00 0.77 0.00 0.00 66.41 65.58 2nub h THR 46 Cb 0.73 2.21 -0.07 0.00 -1.74 0.00 0.00 68.15 69.27 2nub h THR 46 CO -0.34 0.35 -0.17 0.61 0.37 0.00 0.00 175.52 176.34 2nub n GLY 47 N 1.25 0.97 3.25 2.16 0.00 0.61 -4.97 105.19 108.47 2nub n GLY 47 Ca -0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 2nub n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nub s LEU 48 N -2.07 2.04 0.70 0.99 1.43 -1.20 -5.03 118.68 115.54 2nub s LEU 48 Ca 0.00 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 2nub s LEU 48 Cb 0.00 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 2nub s LEU 48 CO 0.00 0.27 0.84 -2.65 0.23 0.00 0.00 176.35 175.04 2nub n PRO 49 N 2.65 0.51 -3.82 1.29 -0.02 -1.26 -4.48 135.00 129.86 2nub n PRO 49 Ca -0.16 0.22 -0.11 0.00 -2.02 0.00 0.00 63.50 61.43 2nub n PRO 49 Cb 0.52 -2.10 -0.08 0.00 -0.02 0.00 0.00 33.50 31.82 2nub n PRO 49 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2nub s THR 50 N -1.80 0.10 0.02 3.45 2.01 -1.26 -1.61 115.64 116.56 2nub s THR 50 Ca 0.72 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 2nub s THR 50 Cb -0.36 -0.88 -0.00 0.00 0.01 0.00 0.00 72.50 71.27 2nub s THR 50 CO 0.52 -0.45 0.14 0.72 -0.69 0.00 0.00 174.62 174.86 2nub s PHE 51 N -2.43 0.08 -0.04 4.92 -0.12 -0.65 -3.84 117.98 115.90 2nub s PHE 51 Ca -0.06 -0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 56.54 2nub s PHE 51 Cb -0.02 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 2nub s PHE 51 CO -0.03 -0.35 0.06 0.50 -0.05 0.00 0.00 175.22 175.35 2nub s ARG 52 N -2.02 3.05 0.00 1.99 3.52 -1.26 -1.27 118.95 122.97 2nub s ARG 52 Ca -0.10 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2nub s ARG 52 Cb -0.04 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.49 2nub s ARG 52 CO -0.01 0.68 0.00 -2.13 -0.81 0.00 0.00 175.30 173.02 2nub n ARG 53 N 1.56 2.58 0.15 5.12 0.63 -0.58 -4.74 116.66 121.39 2nub n ARG 53 Ca -0.16 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.71 2nub n ARG 53 Cb 0.53 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.41 2nub n ARG 53 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2nub h GLU 54 N 0.00 -0.39 0.00 -0.14 4.57 -2.04 -3.42 114.58 113.17 2nub h GLU 54 Ca 0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2nub h GLU 54 Cb 0.00 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2nub h GLU 54 CO 0.00 -0.26 -1.07 -0.25 -1.18 0.00 0.00 179.01 176.26 2nub n ASP 55 N -3.30 4.39 -4.64 1.04 9.92 -1.26 -5.04 116.55 117.66 2nub n ASP 55 Ca -0.05 -0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.83 2nub n ASP 55 Cb 0.16 0.28 0.05 0.00 -0.64 0.00 0.00 41.12 40.97 2nub n ASP 55 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2nub n GLU 56 N -2.26 1.04 -3.88 -1.24 1.02 -1.26 -4.55 120.64 109.51 2nub n GLU 56 Ca -0.02 0.40 -0.29 0.00 -0.02 0.00 0.00 57.16 57.23 2nub n GLU 56 Cb 0.53 -2.25 -0.16 0.00 -0.02 0.00 0.00 31.44 29.54 2nub n GLU 56 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2nub s PHE 57 N -1.46 1.85 -0.16 -0.32 0.08 -1.22 -1.53 117.98 115.23 2nub s PHE 57 Ca 0.75 -1.31 -0.13 0.00 0.12 0.00 0.00 56.93 56.37 2nub s PHE 57 Cb -0.42 -1.37 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 2nub s PHE 57 CO 0.47 -0.68 0.26 -1.58 -0.10 0.00 0.00 175.22 173.59 2nub s TRP 58 N 1.58 3.47 -0.20 0.36 0.52 -0.39 -1.95 118.94 122.32 2nub s TRP 58 Ca -0.02 0.55 -0.04 0.00 0.02 0.00 0.00 56.10 56.61 2nub s TRP 58 Cb -0.17 -2.28 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 2nub s TRP 58 CO -0.07 0.29 -0.02 0.00 0.02 0.00 0.00 176.95 177.17 2nub n ALA 60 N 4.32 2.54 0.00 0.00 0.00 -0.63 -2.21 120.51 124.54 2nub n ALA 60 Ca -0.17 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.09 2nub n ALA 60 Cb 0.52 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.68 2nub n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nub n GLY 61 N 4.36 -2.60 3.66 0.00 0.00 -1.24 -4.65 105.19 104.72 2nub n GLY 61 Ca 0.38 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 2nub n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nub s LYS 62 N -1.99 4.10 -0.05 1.61 0.00 -1.26 -2.89 119.74 119.25 2nub s LYS 62 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 55.97 55.92 2nub s LYS 62 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 37.83 34.29 2nub s LYS 62 CO 0.00 -0.01 -0.11 0.08 0.00 0.00 0.00 175.35 175.30 2nub s VAL 63 N 1.26 1.04 -0.26 1.79 1.01 -1.26 -5.07 120.40 118.91 2nub s VAL 63 Ca 0.12 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2nub s VAL 63 Cb -0.14 -0.95 0.05 0.00 0.00 0.00 0.00 36.38 35.34 2nub s VAL 63 CO 0.06 0.33 -0.08 -0.70 0.00 0.00 0.00 175.10 174.71 2nub s GLU 64 N 0.53 2.49 0.00 2.72 2.56 -1.26 -4.97 118.70 120.77 2nub s GLU 64 Ca -0.11 -1.20 0.00 0.00 0.00 0.00 0.00 54.97 53.66 2nub s GLU 64 Cb -0.14 -2.96 0.00 0.00 2.00 0.00 0.00 34.13 33.03 2nub s GLU 64 CO 0.03 -0.51 0.00 1.63 -0.56 0.00 0.00 175.26 175.84 2nub n LYS 65 N 4.55 0.00 -0.00 4.30 5.02 -1.26 -5.01 118.16 125.76 2nub n LYS 65 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2nub n LYS 65 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 2nub n LYS 65 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2nub n ASP 66 N 0.00 0.44 0.00 4.39 5.75 -1.26 -4.42 116.55 121.45 2nub n ASP 66 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.46 2nub n ASP 66 Cb 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2nub n ASP 66 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2nub n THR 67 N 0.96 0.00 -5.14 2.12 5.66 -1.26 -4.17 114.28 112.45 2nub n THR 67 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 2nub n THR 67 Cb 0.07 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.70 2nub n THR 67 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2nub s LEU 68 N 0.00 2.32 -0.72 1.09 1.43 -0.24 -4.96 118.68 117.60 2nub s LEU 68 Ca 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2nub s LEU 68 Cb 0.00 -1.43 0.18 0.00 0.03 0.00 0.00 46.19 44.97 2nub s LEU 68 CO 0.00 0.31 0.54 -0.31 0.23 0.00 0.00 176.35 177.12 2nub s TYR 69 N -0.54 3.58 0.21 0.29 1.51 -1.26 -0.96 117.35 120.18 2nub s TYR 69 Ca 0.08 -3.05 -0.21 0.00 -1.01 0.00 0.00 57.07 52.87 2nub s TYR 69 Cb -0.11 -3.04 -0.08 0.00 -0.11 0.00 0.00 41.96 38.62 2nub s TYR 69 CO 0.01 -0.72 0.74 -0.48 -1.11 0.00 0.00 175.55 173.99 2nub s LEU 70 N -0.89 4.40 -0.39 -1.29 2.34 -1.08 -4.93 118.68 116.84 2nub s LEU 70 Ca 0.22 1.49 -0.10 0.00 0.06 0.00 0.00 54.13 55.81 2nub s LEU 70 Cb -0.13 -3.52 0.05 0.00 -0.56 0.00 0.00 46.19 42.03 2nub s LEU 70 CO -0.09 0.07 0.22 -0.89 -1.06 0.00 0.00 176.35 174.60 2nub s THR 71 N -1.43 4.30 0.00 5.48 2.01 -1.26 -2.01 115.64 122.73 2nub s THR 71 Ca 0.41 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.27 2nub s THR 71 Cb -0.18 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2nub s THR 71 CO 0.22 -0.35 0.00 0.18 -0.69 0.00 0.00 174.62 173.98 2nub n LEU 72 N 4.94 0.00 -0.04 4.42 4.77 0.17 -4.87 117.00 126.39 2nub n LEU 72 Ca -0.11 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.72 2nub n LEU 72 Cb 0.44 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 2nub n LEU 72 CO 0.37 -1.02 0.36 0.28 -1.33 0.00 0.00 177.39 176.04 2nub h SER 73 N -1.10 0.12 0.00 -1.43 0.02 -1.99 -3.11 113.55 106.06 2nub h SER 73 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2nub h SER 73 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2nub h SER 73 CO 0.00 1.01 0.09 -3.20 -1.14 0.00 0.00 176.83 173.60 2nub n ASN 74 N -4.53 0.00 0.00 3.07 2.85 -1.26 -4.63 115.26 110.76 2nub n ASN 74 Ca -0.10 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 2nub n ASN 74 Cb 0.52 -0.24 0.00 0.00 1.24 0.00 0.00 39.78 41.30 2nub n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2nub n GLY 75 N -1.19 1.68 3.64 8.20 0.00 -1.18 -5.00 105.19 111.34 2nub n GLY 75 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2nub n GLY 75 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2nub n GLU 76 N -2.00 1.79 -3.45 1.61 4.07 -1.26 -4.58 120.64 116.82 2nub n GLU 76 Ca 0.00 0.64 -0.41 0.00 -0.06 0.00 0.00 57.16 57.33 2nub n GLU 76 Cb 0.00 -2.30 -0.10 0.00 -0.06 0.00 0.00 31.44 28.98 2nub n GLU 76 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2nub s ILE 77 N 0.30 5.22 -0.12 6.31 -1.09 -1.26 -0.65 121.20 129.90 2nub s ILE 77 Ca 0.75 -0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.91 2nub s ILE 77 Cb -0.74 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.28 2nub s ILE 77 CO 0.46 -0.14 -0.00 0.54 -1.23 0.00 0.00 174.94 174.56 2nub s VAL 78 N 1.86 4.26 -0.27 2.92 0.11 -0.85 -5.03 120.40 123.40 2nub s VAL 78 Ca 0.08 -0.25 -0.08 0.00 -2.93 0.00 0.00 61.98 58.81 2nub s VAL 78 Cb -0.17 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.83 2nub s VAL 78 CO 0.11 0.55 0.09 -0.70 -3.33 0.00 0.00 175.10 171.83 2nub s GLU 79 N -0.37 3.53 -0.21 1.54 2.12 -1.26 -2.64 118.70 121.42 2nub s GLU 79 Ca 0.07 -0.56 -0.09 0.00 0.36 0.00 0.00 54.97 54.75 2nub s GLU 79 Cb -0.12 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 2nub s GLU 79 CO 0.02 -0.26 0.10 -0.51 -0.54 0.00 0.00 175.26 174.07 2nub s LEU 80 N 1.61 3.91 -0.44 2.70 1.43 -0.13 -2.58 118.68 125.18 2nub s LEU 80 Ca 0.06 0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 2nub s LEU 80 Cb -0.16 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.08 2nub s LEU 80 CO 0.04 0.12 0.45 -0.75 0.23 0.00 0.00 176.35 176.44 2nub s LYS 81 N 0.72 3.07 -0.21 1.70 2.20 0.17 -1.08 119.74 126.31 2nub s LYS 81 Ca 0.05 -0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 54.48 2nub s LYS 81 Cb -0.13 -4.02 -0.05 0.00 -1.51 0.00 0.00 37.83 32.12 2nub s LYS 81 CO 0.02 -0.94 2.22 0.50 -0.36 0.00 0.00 175.35 176.79 2nub s ARG 82 N 2.11 3.14 0.67 4.03 3.00 -1.26 -1.66 118.95 128.98 2nub s ARG 82 Ca 0.11 2.04 -0.02 0.00 -1.00 0.00 0.00 55.73 56.86 2nub s ARG 82 Cb -0.19 -4.37 0.08 0.00 0.00 0.00 0.00 34.95 30.47 2nub s ARG 82 CO 0.12 -2.09 0.93 0.08 0.00 0.00 0.00 175.30 174.34 2nub s VAL 83 N 8.27 2.35 0.66 7.11 1.01 -0.46 -4.82 120.40 134.53 2nub s VAL 83 Ca 1.01 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 2nub s VAL 83 Cb -0.33 -2.83 0.12 0.00 0.00 0.00 0.00 36.38 33.33 2nub s VAL 83 CO 0.35 0.00 0.26 0.61 0.00 0.00 0.00 175.10 176.33 2nub n GLY 84 N -2.72 -1.61 3.94 4.51 0.00 -1.26 -4.29 105.19 103.76 2nub n GLY 84 Ca 0.11 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 2nub n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nub s GLU 85 N -2.72 3.49 0.11 1.61 2.02 -1.26 -3.54 118.70 118.41 2nub s GLU 85 Ca 0.20 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 54.89 2nub s GLU 85 Cb -0.04 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 2nub s GLU 85 CO 0.17 0.20 -0.12 -1.21 0.02 0.00 0.00 175.26 174.32 2nub s GLU 86 N -4.15 0.94 -0.44 1.61 0.41 -0.65 -4.97 118.70 111.46 2nub s GLU 86 Ca 0.40 -1.22 -0.18 0.00 -0.41 0.00 0.00 54.97 53.56 2nub s GLU 86 Cb -0.10 -0.70 0.03 0.00 -1.78 0.00 0.00 34.13 31.58 2nub s GLU 86 CO 0.34 0.12 0.47 -1.21 -0.49 0.00 0.00 175.26 174.49 2nub s GLU 87 N -2.83 3.10 0.03 1.61 2.02 -1.26 -1.70 118.70 119.66 2nub s GLU 87 Ca 0.08 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 2nub s GLU 87 Cb -0.03 -3.99 -0.08 0.00 0.10 0.00 0.00 34.13 30.12 2nub s GLU 87 CO 0.01 -0.92 1.84 0.12 0.02 0.00 0.00 175.26 176.34 2nub s PHE 88 N 2.20 1.66 -0.63 1.61 5.36 0.14 -4.97 117.98 123.34 2nub s PHE 88 Ca 0.13 -0.18 0.05 0.00 -0.96 0.00 0.00 56.93 55.97 2nub s PHE 88 Cb -0.18 -4.13 0.19 0.00 -0.34 0.00 0.00 43.02 38.57 2nub s PHE 88 CO 0.13 -4.90 0.54 0.54 -1.46 0.00 0.00 175.22 170.07 2nub n ARG 89 N 7.06 1.73 -1.58 10.12 1.74 -1.26 -4.92 116.66 129.54 2nub n ARG 89 Ca 0.19 -4.29 0.00 0.00 -0.77 0.00 0.00 57.85 52.98 2nub n ARG 89 Cb 0.41 -2.14 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2nub n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nub n GLY 90 N 1.76 -3.85 3.73 -0.13 0.00 -1.26 -4.90 105.19 100.53 2nub n GLY 90 Ca 0.24 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 2nub n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nub s PHE 91 N -5.34 2.36 -0.22 1.61 0.08 -1.26 -5.01 117.98 110.19 2nub s PHE 91 Ca 0.00 1.26 -0.16 0.00 0.12 0.00 0.00 56.93 58.15 2nub s PHE 91 Cb 0.00 -3.16 -0.09 0.00 -0.57 0.00 0.00 43.02 39.20 2nub s PHE 91 CO 0.00 -2.33 -0.31 1.04 -0.10 0.00 0.00 175.22 173.52 2nub n GLN 92 N -3.84 0.55 -3.93 0.44 6.02 -1.26 -5.04 117.38 110.32 2nub n GLN 92 Ca 0.07 0.28 -0.27 0.00 -0.01 0.00 0.00 57.00 57.07 2nub n GLN 92 Cb 0.55 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.30 2nub n GLN 92 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2nub n ASN 93 N -4.37 2.84 0.08 1.08 2.04 -1.26 -5.03 115.26 110.64 2nub n ASN 93 Ca -0.33 -2.89 -0.06 0.00 -0.44 0.00 0.00 54.58 50.85 2nub n ASN 93 Cb 0.68 0.05 0.09 0.00 -2.53 0.00 0.00 39.78 38.07 2nub n ASN 93 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2nub h GLU 94 N 0.00 0.27 -0.58 -3.83 3.07 -1.95 -3.22 114.58 108.34 2nub h GLU 94 Ca -0.35 -0.21 0.05 0.00 -0.50 0.00 0.00 59.36 58.35 2nub h GLU 94 Cb 1.22 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.12 2nub h GLU 94 CO 0.56 0.83 0.31 -0.09 -1.40 0.00 0.00 179.01 179.22 2nub h ARG 95 N 0.19 0.57 0.20 2.33 2.43 -1.96 0.75 114.38 118.90 2nub h ARG 95 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2nub h ARG 95 Cb 1.19 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2nub h ARG 95 CO 0.10 0.38 -0.12 0.93 -1.51 0.00 0.00 179.97 179.75 2nub h GLU 96 N 0.59 -0.28 -0.98 0.20 5.08 -1.84 0.27 114.58 117.62 2nub h GLU 96 Ca 0.25 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.82 2nub h GLU 96 Cb 0.15 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.28 2nub h GLU 96 CO -0.16 -0.19 -0.27 0.00 -1.00 0.00 0.00 179.01 177.38 2nub h GLN 98 N 0.00 0.44 0.46 0.00 4.15 -0.69 0.15 115.11 119.61 2nub h GLN 98 Ca 0.44 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.76 2nub h GLN 98 Cb 0.69 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 2nub h GLN 98 CO -1.00 0.48 -0.39 0.93 -1.93 0.00 0.00 178.83 176.92 2nub h GLU 99 N 0.30 -0.81 -0.89 1.69 5.08 0.23 0.17 114.58 120.35 2nub h GLU 99 Ca 0.09 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2nub h GLU 99 Cb 0.22 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2nub h GLU 99 CO -0.00 -0.54 0.58 1.25 -1.00 0.00 0.00 179.01 179.29 2nub h LEU 100 N -0.84 0.95 -0.50 1.33 5.85 -1.16 -2.38 115.31 118.55 2nub h LEU 100 Ca -0.04 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2nub h LEU 100 Cb 0.73 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2nub h LEU 100 CO -0.02 0.65 0.03 0.15 -0.34 0.00 0.00 178.44 178.91 2nub h PHE 101 N 1.11 0.93 0.00 1.25 3.04 -0.44 -2.73 116.94 120.10 2nub h PHE 101 Ca 0.36 -0.15 -0.05 0.00 3.98 0.00 0.00 57.97 62.11 2nub h PHE 101 Cb 0.02 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 2nub h PHE 101 CO -0.02 0.86 -0.22 -0.09 -2.02 0.00 0.00 178.31 176.83 2nub h ARG 102 N 0.73 0.00 0.65 1.11 2.43 -0.61 -2.72 114.38 115.98 2nub h ARG 102 Ca 0.15 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2nub h ARG 102 Cb 0.47 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2nub h ARG 102 CO 0.02 0.22 -0.31 -0.44 -1.51 0.00 0.00 179.97 177.95 2nub h ASP 103 N 0.00 -0.74 -0.78 -3.80 3.32 -1.13 -3.07 116.42 110.21 2nub h ASP 103 Ca -0.00 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.19 2nub h ASP 103 Cb 0.54 0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.14 2nub h ASP 103 CO 0.03 -0.37 -0.30 -0.26 -1.72 0.00 0.00 179.24 176.62 2nub h PHE 104 N -1.18 -0.79 -0.49 4.55 0.04 -1.41 1.90 116.94 119.55 2nub h PHE 104 Ca -0.09 0.08 0.14 0.00 2.80 0.00 0.00 57.97 60.90 2nub h PHE 104 Cb 0.70 0.46 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 2nub h PHE 104 CO 0.00 -0.38 0.67 -0.07 -0.60 0.00 0.00 178.31 177.94 2nub h LEU 105 N -0.06 0.00 0.00 1.54 3.38 -1.46 0.40 115.31 119.11 2nub h LEU 105 Ca 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 2nub h LEU 105 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2nub h LEU 105 CO -0.82 0.00 -0.80 0.41 0.09 0.00 0.00 178.44 177.32 2nub n THR 106 N -3.38 1.45 0.20 0.22 -1.04 0.63 -1.68 114.28 110.68 2nub n THR 106 Ca 0.10 0.14 0.18 0.00 -2.04 0.00 0.00 64.05 62.43 2nub n THR 106 Cb 0.85 -2.30 0.79 0.00 -1.82 0.00 0.00 70.33 67.85 2nub n THR 106 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2nub h LYS 107 N -1.00 0.00 0.02 -2.82 3.64 -0.44 0.28 116.57 116.26 2nub h LYS 107 Ca -0.09 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.98 2nub h LYS 107 Cb 0.76 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 2nub h LYS 107 CO -0.06 0.00 -1.75 2.41 -2.27 0.00 0.00 179.45 177.78 2nub n THR 108 N -3.43 1.64 -0.68 1.00 -1.04 0.13 -4.97 114.28 106.95 2nub n THR 108 Ca 0.03 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 2nub n THR 108 Cb 0.49 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 2nub n THR 108 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2nub n LYS 109 N -3.12 0.00 -0.32 -2.82 4.01 0.99 -4.87 118.16 112.04 2nub n LYS 109 Ca -0.19 0.00 0.19 0.00 -0.51 0.00 0.00 58.31 57.80 2nub n LYS 109 Cb 1.05 -3.63 0.39 0.00 -0.51 0.00 0.00 35.03 32.33 2nub n LYS 109 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 2nub h VAL 110 N 0.00 0.28 -0.30 -0.18 3.04 -1.85 0.13 116.25 117.37 2nub h VAL 110 Ca 0.00 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.60 2nub h VAL 110 Cb 0.00 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.28 2nub h VAL 110 CO 0.00 0.04 0.17 0.11 -1.01 0.00 0.00 177.57 176.88 2nub h LYS 111 N 0.24 0.42 -0.17 4.17 1.57 -1.90 -1.83 116.57 119.09 2nub h LYS 111 Ca 0.66 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 59.25 2nub h LYS 111 Cb 1.44 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 2nub h LYS 111 CO -0.65 0.36 -0.48 -0.44 -0.57 0.00 0.00 179.45 177.67 2nub h ASP 112 N 0.37 0.46 -0.95 0.86 3.45 -1.33 -1.35 116.42 117.94 2nub h ASP 112 Ca 0.11 -0.22 0.01 0.00 0.43 0.00 0.00 57.03 57.36 2nub h ASP 112 Cb 0.06 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 38.65 2nub h ASP 112 CO -0.02 0.87 0.63 0.50 -1.57 0.00 0.00 179.24 179.65 2nub h LYS 113 N 0.34 1.24 0.81 3.56 1.63 -0.61 0.31 116.57 123.85 2nub h LYS 113 Ca 0.02 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 2nub h LYS 113 Cb 0.97 -0.28 0.01 0.00 -0.60 0.00 0.00 32.23 32.33 2nub h LYS 113 CO 0.08 0.82 -0.39 0.35 -3.45 0.00 0.00 179.45 176.86 2nub h PHE 114 N 1.27 -1.01 -0.72 1.91 3.57 -0.80 -0.67 116.94 120.50 2nub h PHE 114 Ca 0.35 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 62.04 2nub h PHE 114 Cb -0.13 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2nub h PHE 114 CO -0.00 -0.63 0.53 0.82 -2.23 0.00 0.00 178.31 176.80 2nub h ILE 115 N -1.29 0.60 0.21 1.41 5.03 -1.05 0.87 117.51 123.28 2nub h ILE 115 Ca -0.11 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.62 2nub h ILE 115 Cb 0.84 0.63 0.00 0.00 -3.03 0.00 0.00 36.82 35.25 2nub h ILE 115 CO 0.18 0.00 -0.10 -1.28 -0.68 0.00 0.00 178.15 176.27 2nub h SER 116 N 0.00 -0.24 -0.26 1.72 0.87 -0.02 -2.62 113.55 113.00 2nub h SER 116 Ca 0.34 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.95 2nub h SER 116 Cb 1.40 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 2nub h SER 116 CO -0.00 -0.14 0.18 0.44 -0.53 0.00 0.00 176.83 176.78 2nub h ASP 117 N -0.34 0.14 -0.49 6.23 3.32 0.09 -1.72 116.42 123.65 2nub h ASP 117 Ca -0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2nub h ASP 117 Cb 0.21 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2nub h ASP 117 CO 0.05 0.10 0.32 0.15 -1.72 0.00 0.00 179.24 178.13 2nub h PHE 118 N 0.17 0.63 0.49 4.55 3.57 0.70 -0.17 116.94 126.87 2nub h PHE 118 Ca 0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2nub h PHE 118 Cb 0.24 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2nub h PHE 118 CO -0.00 0.41 -0.29 1.88 -2.23 0.00 0.00 178.31 178.07 2nub h TYR 119 N 0.66 -0.76 0.33 0.41 0.05 -0.92 -2.39 116.97 114.35 2nub h TYR 119 Ca 0.18 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 2nub h TYR 119 Cb -0.06 0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.95 2nub h TYR 119 CO -0.04 -0.45 -0.16 1.57 -1.05 0.00 0.00 178.16 178.03 2nub h LYS 120 N -0.74 -0.43 0.00 4.88 2.10 -1.37 2.59 116.57 123.61 2nub h LYS 120 Ca -0.06 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2nub h LYS 120 Cb 0.60 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2nub h LYS 120 CO 0.06 -0.29 0.00 1.63 -2.00 0.00 0.00 179.45 178.86 2nub n LYS 121 N -3.23 0.00 0.00 0.07 4.76 -0.09 -2.35 118.16 117.32 2nub n LYS 121 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2nub n LYS 121 Cb 0.18 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2nub n LYS 121 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2nub n PHE 122 N -0.52 0.00 0.11 2.13 3.72 -0.90 -4.86 117.46 117.14 2nub n PHE 122 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2nub n PHE 122 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 2nub n PHE 122 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2nub n ARG 123 N 0.00 0.06 0.13 -1.08 1.85 0.87 -2.58 116.66 115.91 2nub n ARG 123 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 57.85 57.04 2nub n ARG 123 Cb 0.00 -1.13 0.74 0.00 -1.05 0.00 0.00 32.46 31.03 2nub n ARG 123 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2nub h ASP 124 N 0.00 0.00 0.00 2.89 5.19 -1.79 -3.33 116.42 119.37 2nub h ASP 124 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2nub h ASP 124 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 2nub h ASP 124 CO 0.00 0.00 0.04 1.17 -3.12 0.00 0.00 179.24 177.33 2nub n LYS 125 N -3.53 0.14 -0.04 3.56 3.00 -1.07 -4.92 118.16 115.30 2nub n LYS 125 Ca 0.06 -0.26 0.11 0.00 -0.00 0.00 0.00 58.31 58.22 2nub n LYS 125 Cb 0.60 0.03 0.50 0.00 0.00 0.00 0.00 35.03 36.16 2nub n LYS 125 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2nub n ILE 126 N -0.26 0.10 -4.85 3.15 -0.00 -1.25 -4.70 119.36 111.56 2nub n ILE 126 Ca -0.09 -0.21 -0.26 0.00 -0.00 0.00 0.00 62.75 62.19 2nub n ILE 126 Cb 0.57 0.15 -0.16 0.00 -0.00 0.00 0.00 39.64 40.19 2nub n ILE 126 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2nub s THR 127 N -1.90 1.43 0.18 7.28 -4.23 -1.26 -2.71 115.64 114.42 2nub s THR 127 Ca 0.34 -0.74 0.09 0.00 -1.18 0.00 0.00 61.69 60.19 2nub s THR 127 Cb 0.17 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 2nub s THR 127 CO 0.27 0.41 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.90 2nub s VAL 128 N -0.19 1.84 0.00 2.29 1.01 -1.07 -5.03 120.40 119.25 2nub s VAL 128 Ca 0.01 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 59.99 2nub s VAL 128 Cb -0.09 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2nub s VAL 128 CO 0.01 -0.38 0.00 1.67 0.00 0.00 0.00 175.10 176.40 2nub n GLN 129 N 0.10 0.00 -1.17 2.72 7.27 -1.26 -4.07 117.38 120.96 2nub n GLN 129 Ca -0.12 0.10 0.15 0.00 0.07 0.00 0.00 57.00 57.20 2nub n GLN 129 Cb 0.58 -0.48 -0.06 0.00 2.41 0.00 0.00 30.24 32.68 2nub n GLN 129 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2nub n GLY 130 N 2.31 -2.82 3.17 1.69 0.00 -1.26 -4.13 105.19 104.15 2nub n GLY 130 Ca 0.00 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 2nub n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nub s LYS 131 N -3.45 3.21 0.00 1.61 2.36 -1.26 -4.06 119.74 118.15 2nub s LYS 131 Ca 0.00 -2.85 0.00 0.00 -2.55 0.00 0.00 55.97 50.57 2nub s LYS 131 Cb 0.00 -4.04 0.00 0.00 -1.05 0.00 0.00 37.83 32.74 2nub s LYS 131 CO 0.00 -1.24 0.00 -1.71 1.55 0.00 0.00 175.35 173.95 2nub n ASN 132 N 3.10 0.00 0.00 1.43 2.85 -1.26 -5.25 115.26 116.12 2nub n ASN 132 Ca 0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 2nub n ASN 132 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 2nub n ASN 132 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2nub n ARG 133 N 0.00 0.00 0.00 1.20 1.74 -1.26 -5.20 116.66 113.14 2nub n ARG 133 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2nub n ARG 133 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2nub n ARG 133 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2nub n ILE 135 N 0.94 0.00 -2.27 0.55 2.08 -1.26 -4.67 119.36 114.74 2nub n ILE 135 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2nub n ILE 135 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 2nub n ILE 135 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2nub n ALA 136 N 0.00 0.00 -2.71 -1.39 0.00 -0.07 -2.59 120.51 113.75 2nub n ALA 136 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2nub n ALA 136 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2nub n ALA 136 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2nub n LEU 137 N 0.00 -2.05 -4.67 0.00 7.94 -1.10 -4.51 117.00 112.60 2nub n LEU 137 Ca 0.00 -2.55 -0.42 0.00 -1.11 0.00 0.00 56.01 51.93 2nub n LEU 137 Cb 0.00 0.72 -0.03 0.00 0.53 0.00 0.00 43.42 44.64 2nub n LEU 137 CO 0.00 1.79 1.20 -0.63 -1.11 0.00 0.00 177.39 178.64 2nub s ILE 138 N 0.37 3.75 -0.88 1.96 -1.09 0.97 -4.82 121.20 121.45 2nub s ILE 138 Ca 0.28 1.03 -0.19 0.00 -2.23 0.00 0.00 60.65 59.55 2nub s ILE 138 Cb 0.22 -3.67 0.13 0.00 -1.58 0.00 0.00 42.46 37.57 2nub s ILE 138 CO -0.16 -0.04 1.07 -2.16 -1.23 0.00 0.00 174.94 172.42 2nub s PRO 139 N 3.10 3.53 0.28 2.79 0.04 -1.26 0.10 135.00 143.57 2nub s PRO 139 Ca 0.65 -1.69 -0.29 0.00 0.04 0.00 0.00 61.00 59.71 2nub s PRO 139 Cb -0.31 -4.80 -0.09 0.00 0.04 0.00 0.00 34.50 29.34 2nub s PRO 139 CO 0.25 -1.74 1.07 -1.21 0.04 0.00 0.00 177.00 175.42 2nub s GLU 140 N 2.68 4.66 -0.03 4.56 2.02 -0.27 -4.95 118.70 127.37 2nub s GLU 140 Ca 0.30 1.75 -0.01 0.00 0.02 0.00 0.00 54.97 57.03 2nub s GLU 140 Cb -0.07 -3.18 0.03 0.00 0.10 0.00 0.00 34.13 31.01 2nub s GLU 140 CO -0.07 0.25 0.06 0.08 0.02 0.00 0.00 175.26 175.60 2nub s VAL 141 N -1.18 -0.05 0.05 2.63 1.01 -1.26 -2.27 120.40 119.32 2nub s VAL 141 Ca 0.44 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.65 2nub s VAL 141 Cb -0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 2nub s VAL 141 CO 0.39 0.08 -0.10 0.20 0.00 0.00 0.00 175.10 175.67 2nub s ASN 142 N 1.01 1.14 -0.12 3.32 -0.87 -1.02 -5.05 114.94 113.35 2nub s ASN 142 Ca -0.08 -0.54 0.03 0.00 -1.57 0.00 0.00 52.86 50.70 2nub s ASN 142 Cb -0.12 -0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 2nub s ASN 142 CO -0.03 -0.13 -0.22 -1.61 -2.57 0.00 0.00 177.10 172.53 2nub s GLU 143 N -1.51 3.05 0.16 -0.60 8.01 -1.26 -2.75 118.70 123.80 2nub s GLU 143 Ca -0.06 -0.86 0.07 0.00 0.01 0.00 0.00 54.97 54.14 2nub s GLU 143 Cb -0.09 -2.39 -0.04 0.00 -4.31 0.00 0.00 34.13 27.30 2nub s GLU 143 CO 0.01 0.08 -0.16 0.15 0.01 0.00 0.00 175.26 175.35 2nub s LYS 144 N 0.59 1.21 -0.09 1.61 1.02 0.55 -4.94 119.74 119.69 2nub s LYS 144 Ca -0.12 -1.40 0.01 0.00 0.02 0.00 0.00 55.97 54.48 2nub s LYS 144 Cb -0.17 -1.15 0.02 0.00 -0.52 0.00 0.00 37.83 36.01 2nub s LYS 144 CO 0.03 0.22 -0.11 0.08 -0.92 0.00 0.00 175.35 174.65 2nub s VAL 145 N -2.31 1.17 0.26 3.17 1.01 -1.26 0.23 120.40 122.68 2nub s VAL 145 Ca 0.15 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.76 2nub s VAL 145 Cb -0.04 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2nub s VAL 145 CO 0.05 0.38 -0.08 -0.76 0.00 0.00 0.00 175.10 174.69 2nub s LEU 146 N 1.11 2.50 0.00 3.92 1.43 0.48 -4.86 118.68 123.25 2nub s LEU 146 Ca -0.06 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 2nub s LEU 146 Cb -0.14 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.42 2nub s LEU 146 CO -0.02 -0.29 0.00 0.29 0.23 0.00 0.00 176.35 176.56 2nub n LYS 147 N -0.52 2.92 -3.52 1.70 4.76 -1.26 0.11 118.16 122.34 2nub n LYS 147 Ca -0.06 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.29 2nub n LYS 147 Cb 0.62 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.79 2nub n LYS 147 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2nub s SER 148 N -1.00 -0.38 0.27 4.39 1.04 -1.22 -4.17 113.70 112.64 2nub s SER 148 Ca 0.00 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.53 2nub s SER 148 Cb 0.00 0.37 0.62 0.00 0.10 0.00 0.00 66.02 67.12 2nub s SER 148 CO 0.00 -0.57 1.67 -0.08 0.98 0.00 0.00 173.24 175.24 2nub h GLU 149 N 2.15 0.26 0.00 4.02 4.81 -1.27 -2.44 114.58 122.10 2nub h GLU 149 Ca -0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2nub h GLU 149 Cb 1.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2nub h GLU 149 CO 0.31 0.17 0.00 0.39 -0.73 0.00 0.00 179.01 179.15 2nub n GLU 150 N -5.17 0.00 0.00 1.92 -0.58 -1.26 -4.92 120.64 110.62 2nub n GLU 150 Ca 0.19 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.60 2nub n GLU 150 Cb 0.60 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 2nub n GLU 150 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nub n GLY 151 N -0.95 0.16 3.93 0.62 0.00 -0.92 -5.16 105.19 102.88 2nub n GLY 151 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2nub n GLY 151 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nub s TYR 152 N 0.00 3.42 0.47 1.61 -0.85 -1.26 -4.78 117.35 115.95 2nub s TYR 152 Ca 0.00 0.48 -0.14 0.00 -0.52 0.00 0.00 57.07 56.89 2nub s TYR 152 Cb 0.00 -2.21 -0.07 0.00 0.38 0.00 0.00 41.96 40.06 2nub s TYR 152 CO 0.00 -0.22 0.90 -0.06 -1.52 0.00 0.00 175.55 174.65 2nub s PHE 153 N -2.57 3.47 -0.06 -3.49 0.08 -1.26 -3.41 117.98 110.73 2nub s PHE 153 Ca 0.46 1.29 0.01 0.00 0.12 0.00 0.00 56.93 58.80 2nub s PHE 153 Cb -0.10 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.72 2nub s PHE 153 CO 0.40 -0.27 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.69 2nub s LEU 154 N -4.01 1.21 -0.29 -0.37 1.43 0.30 -2.05 118.68 114.90 2nub s LEU 154 Ca 0.56 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.28 2nub s LEU 154 Cb -0.10 -0.53 -0.01 0.00 0.03 0.00 0.00 46.19 45.58 2nub s LEU 154 CO 0.32 -0.08 0.70 -0.22 0.23 0.00 0.00 176.35 177.30 2nub s LEU 155 N 1.16 4.10 -0.56 1.79 2.96 0.29 -0.39 118.68 128.03 2nub s LEU 155 Ca -0.07 0.62 -0.21 0.00 -0.22 0.00 0.00 54.13 54.25 2nub s LEU 155 Cb -0.14 -2.94 0.07 0.00 0.50 0.00 0.00 46.19 43.67 2nub s LEU 155 CO -0.01 -0.51 0.77 -2.28 -1.32 0.00 0.00 176.35 173.00 2nub s HIS 156 N 2.73 2.92 -0.20 5.38 5.65 0.64 -1.43 115.29 130.97 2nub s HIS 156 Ca 0.29 -0.54 -0.05 0.00 0.25 0.00 0.00 55.06 55.01 2nub s HIS 156 Cb -0.15 -3.89 -0.03 0.00 -1.18 0.00 0.00 32.58 27.34 2nub s HIS 156 CO 0.11 -1.27 0.00 -1.17 -0.65 0.00 0.00 174.74 171.76 2nub s LEU 157 N 3.17 3.30 -0.09 8.88 2.96 -1.20 -0.33 118.68 135.37 2nub s LEU 157 Ca 0.18 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 2nub s LEU 157 Cb -0.19 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.70 2nub s LEU 157 CO 0.12 0.08 0.23 -0.62 -1.32 0.00 0.00 176.35 174.84 2nub s ASP 158 N 0.92 -0.24 -0.03 3.68 -1.08 -1.11 -4.83 116.67 113.97 2nub s ASP 158 Ca 0.01 0.47 0.05 0.00 -0.52 0.00 0.00 52.55 52.57 2nub s ASP 158 Cb -0.14 0.46 -0.01 0.00 -1.46 0.00 0.00 42.92 41.77 2nub s ASP 158 CO 0.02 -0.09 -0.19 -1.48 0.52 0.00 0.00 175.17 173.95 2nub s LEU 159 N 0.26 1.98 0.05 -1.34 2.34 -1.26 -2.44 118.68 118.27 2nub s LEU 159 Ca -0.01 -0.37 0.01 0.00 0.06 0.00 0.00 54.13 53.81 2nub s LEU 159 Cb -0.03 -1.04 -0.03 0.00 -0.56 0.00 0.00 46.19 44.54 2nub s LEU 159 CO -0.01 0.20 -0.05 -0.75 -1.06 0.00 0.00 176.35 174.69 2nub s LYS 160 N -0.19 0.53 -0.06 1.48 2.47 -0.96 -5.04 119.74 117.96 2nub s LYS 160 Ca 0.01 -0.92 0.02 0.00 -1.56 0.00 0.00 55.97 53.52 2nub s LYS 160 Cb -0.10 -0.01 -0.03 0.00 -1.46 0.00 0.00 37.83 36.23 2nub s LYS 160 CO 0.01 -0.04 -0.10 -0.06 0.16 0.00 0.00 175.35 175.32 2nub s PHE 161 N -2.44 2.83 -0.09 4.03 0.40 -1.26 -1.11 117.98 120.34 2nub s PHE 161 Ca -0.04 -0.07 -0.00 0.00 -0.60 0.00 0.00 56.93 56.21 2nub s PHE 161 Cb -0.03 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 2nub s PHE 161 CO -0.04 0.25 -0.06 0.50 0.70 0.00 0.00 175.22 176.58 2nub s ARG 162 N -0.74 2.95 -0.17 0.44 3.52 0.12 -4.96 118.95 120.11 2nub s ARG 162 Ca 0.11 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 2nub s ARG 162 Cb -0.11 -2.67 0.02 0.00 -1.56 0.00 0.00 34.95 30.63 2nub s ARG 162 CO 0.01 0.59 -0.19 0.42 -0.81 0.00 0.00 175.30 175.31 2nub s ILE 163 N -0.59 2.01 0.02 4.11 1.09 -1.26 -0.02 121.20 126.56 2nub s ILE 163 Ca 0.09 -0.91 -0.05 0.00 -1.10 0.00 0.00 60.65 58.68 2nub s ILE 163 Cb -0.12 -1.82 -0.01 0.00 -1.06 0.00 0.00 42.46 39.46 2nub s ILE 163 CO 0.02 0.53 0.09 0.00 -0.10 0.00 0.00 174.94 175.48 2nub s GLN 164 N 1.28 0.52 0.29 2.79 -2.07 -1.26 0.13 119.66 121.33 2nub s GLN 164 Ca 0.04 -0.62 -0.29 0.00 -1.82 0.00 0.00 55.36 52.67 2nub s GLN 164 Cb -0.13 0.20 -0.10 0.00 -1.09 0.00 0.00 33.01 31.90 2nub s GLN 164 CO -0.12 -0.12 1.11 -1.25 -1.32 0.00 0.00 175.29 173.59 2nub s PRO 165 N -2.06 4.60 0.00 9.60 0.04 -1.26 -0.89 135.00 145.03 2nub s PRO 165 Ca -0.10 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2nub s PRO 165 Cb -0.04 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2nub s PRO 165 CO -0.02 0.17 1.06 1.97 0.04 0.00 0.00 177.00 180.22 2nub n PHE 166 N 1.10 0.00 -4.52 0.56 -0.00 -1.26 -4.59 117.46 108.74 2nub n PHE 166 Ca -0.01 -0.53 -0.24 0.00 -0.00 0.00 0.00 57.45 56.67 2nub n PHE 166 Cb 0.45 -0.34 -0.10 0.00 -0.00 0.00 0.00 39.48 39.49 2nub n PHE 166 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 2nub s GLU 167 N 0.59 1.80 0.40 3.97 2.56 -1.26 -5.02 118.70 121.74 2nub s GLU 167 Ca 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 54.97 52.98 2nub s GLU 167 Cb 0.00 -1.09 -0.04 0.00 2.00 0.00 0.00 34.13 35.01 2nub s GLU 167 CO 0.00 -0.20 0.08 -0.08 -0.56 0.00 0.00 175.26 174.50 2nub s THR 168 N -3.11 0.98 0.12 -1.70 -1.32 -1.26 -4.69 115.64 104.66 2nub s THR 168 Ca 0.33 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.72 2nub s THR 168 Cb 0.08 -2.49 -0.16 0.00 -1.51 0.00 0.00 72.50 68.42 2nub s THR 168 CO 0.15 0.00 1.32 0.25 -2.21 0.00 0.00 174.62 174.13 2nub h LEU 169 N 1.80 0.76 -2.91 9.08 5.85 -0.12 -3.00 115.31 126.76 2nub h LEU 169 Ca -0.39 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 57.80 2nub h LEU 169 Cb 1.27 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2nub h LEU 169 CO 0.66 1.32 0.00 -0.61 -0.34 0.00 0.00 178.44 179.46 2nub h GLN 170 N 0.40 0.00 0.12 1.25 5.75 -0.34 -1.38 115.11 120.91 2nub h GLN 170 Ca -0.06 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.09 2nub h GLN 170 Cb 1.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.00 2nub h GLN 170 CO 0.16 0.00 -1.84 1.15 -2.65 0.00 0.00 178.83 175.65 2nub h THR 171 N 0.00 0.79 0.00 2.39 2.02 -1.80 -3.37 112.91 112.94 2nub h THR 171 Ca 0.00 -2.49 -0.08 0.00 0.77 0.00 0.00 66.41 64.62 2nub h THR 171 Cb 0.01 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 2nub h THR 171 CO 0.00 0.83 -0.37 -0.07 0.37 0.00 0.00 175.52 176.28 2nub h LEU 172 N 0.07 0.00 -3.23 2.58 3.38 -1.17 -2.98 115.31 113.96 2nub h LEU 172 Ca -0.36 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.42 2nub h LEU 172 Cb 2.05 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.72 2nub h LEU 172 CO 0.12 0.37 0.23 0.18 0.09 0.00 0.00 178.44 179.44 2nub n LEU 173 N -3.61 5.88 0.00 1.67 4.77 -0.62 -2.58 117.00 122.50 2nub n LEU 173 Ca -0.01 -2.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.10 2nub n LEU 173 Cb 0.49 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 2nub n LEU 173 CO 0.37 1.11 0.00 -0.62 -1.33 0.00 0.00 177.39 176.91 2nub n GLU 174 N 0.80 0.00 0.00 3.23 1.02 -1.13 -5.02 120.64 119.54 2nub n GLU 174 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2nub n GLU 174 Cb 0.56 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 2nub n GLU 174 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2nub n ARG 175 N 0.00 0.00 0.00 3.49 0.63 -1.07 -5.14 116.66 114.57 2nub n ARG 175 Ca 0.00 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 2nub n ARG 175 Cb 0.17 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.29 2nub n ARG 175 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2nub n PHE 178 N -1.86 0.00 0.00 -0.14 3.01 -1.25 -5.17 117.46 112.06 2nub n PHE 178 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2nub n PHE 178 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2nub n PHE 178 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2nub n ASN 179 N -1.38 0.00 -0.12 4.37 4.05 -1.26 -5.06 115.26 115.86 2nub n ASN 179 Ca 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 54.87 2nub n ASN 179 Cb 0.00 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 40.89 2nub n ASN 179 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2nub n PRO 180 N -0.80 0.66 0.00 1.20 -0.04 -1.26 -5.04 135.00 129.71 2nub n PRO 180 Ca 0.00 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2nub n PRO 180 Cb 0.00 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 2nub n PRO 180 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2nub n LYS 181 N -3.16 0.00 -1.57 0.54 4.76 -1.26 -4.29 118.16 113.19 2nub n LYS 181 Ca -0.43 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 54.88 2nub n LYS 181 Cb 1.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 34.11 2nub n LYS 181 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2nub s ARG 182 N 0.00 1.40 -0.18 1.97 3.52 -1.23 -3.34 118.95 121.09 2nub s ARG 182 Ca 0.00 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.79 2nub s ARG 182 Cb 0.00 -4.84 0.05 0.00 -1.56 0.00 0.00 34.95 28.60 2nub s ARG 182 CO 0.00 -4.88 -0.02 0.42 -0.81 0.00 0.00 175.30 170.01 2nub s ILE 183 N 15.81 0.93 -0.01 4.11 1.01 -1.26 -3.89 121.20 137.90 2nub s ILE 183 Ca 0.89 -0.66 -0.32 0.00 0.00 0.00 0.00 60.65 60.57 2nub s ILE 183 Cb -0.10 -1.24 -0.10 0.00 0.01 0.00 0.00 42.46 41.03 2nub s ILE 183 CO 0.12 -0.02 1.94 0.54 0.00 0.00 0.00 174.94 177.51 2nub n ARG 184 N 4.92 2.62 -4.60 2.79 1.74 -1.26 -3.22 116.66 119.66 2nub n ARG 184 Ca -0.11 0.96 -0.27 0.00 -0.77 0.00 0.00 57.85 57.67 2nub n ARG 184 Cb 0.47 -2.88 -0.10 0.00 -1.02 0.00 0.00 32.46 28.93 2nub n ARG 184 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2nub s VAL 185 N 4.28 1.63 -0.12 1.55 -7.23 0.78 0.18 120.40 121.47 2nub s VAL 185 Ca 0.90 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.02 2nub s VAL 185 Cb -0.53 -2.81 0.05 0.00 0.56 0.00 0.00 36.38 33.66 2nub s VAL 185 CO 0.45 0.00 0.25 -0.75 -0.31 0.00 0.00 175.10 174.75 2nub s LYS 186 N -3.78 0.18 0.19 4.82 2.20 0.48 -2.28 119.74 121.56 2nub s LYS 186 Ca 0.31 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 56.25 2nub s LYS 186 Cb 0.08 -0.09 -0.08 0.00 -1.51 0.00 0.00 37.83 36.23 2nub s LYS 186 CO 0.15 -0.22 1.22 -2.14 -0.36 0.00 0.00 175.35 174.00 2nub s PRO 187 N 1.79 4.47 0.00 4.03 0.02 -1.26 -1.16 135.00 142.89 2nub s PRO 187 Ca -0.04 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.89 2nub s PRO 187 Cb -0.11 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2nub s PRO 187 CO -0.08 -0.12 0.77 -0.89 -0.33 0.00 0.00 177.00 176.35 2nub n ILE 188 N 2.46 0.00 0.00 2.83 2.08 -0.12 -1.93 119.36 124.68 2nub n ILE 188 Ca 0.04 1.26 -0.05 0.00 0.56 0.00 0.00 62.75 64.56 2nub n ILE 188 Cb 0.44 -1.75 0.13 0.00 -0.75 0.00 0.00 39.64 37.72 2nub n ILE 188 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2nub n GLY 189 N -0.99 2.77 3.37 7.39 0.00 -1.26 -4.89 105.19 111.58 2nub n GLY 189 Ca 0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 2nub n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nub s ILE 190 N -1.69 2.11 -0.86 -0.61 1.09 -0.81 -4.77 121.20 115.65 2nub s ILE 190 Ca 0.27 -1.86 0.01 0.00 -1.10 0.00 0.00 60.65 57.96 2nub s ILE 190 Cb 0.22 -1.94 0.31 0.00 -1.06 0.00 0.00 42.46 39.99 2nub s ILE 190 CO 0.06 -0.10 1.33 -0.67 -0.10 0.00 0.00 174.94 175.46 2nub n ASP 191 N 0.56 5.79 -3.72 3.58 2.03 -1.26 -4.51 116.55 119.01 2nub n ASP 191 Ca -0.15 -3.58 -0.12 0.00 0.52 0.00 0.00 54.79 51.46 2nub n ASP 191 Cb 0.55 -0.96 -0.10 0.00 -0.72 0.00 0.00 41.12 39.89 2nub n ASP 191 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2nub s PHE 192 N -3.41 -0.52 -0.38 -0.67 5.36 -1.26 -5.12 117.98 111.97 2nub s PHE 192 Ca 0.40 1.20 -0.07 0.00 -0.96 0.00 0.00 56.93 57.49 2nub s PHE 192 Cb 0.17 0.20 0.07 0.00 -0.34 0.00 0.00 43.02 43.12 2nub s PHE 192 CO -0.05 -0.27 0.19 0.08 -1.46 0.00 0.00 175.22 173.70 2nub s VAL 193 N 0.69 3.93 0.51 3.12 1.01 -1.26 -4.04 120.40 124.36 2nub s VAL 193 Ca -0.04 -1.36 0.07 0.00 0.00 0.00 0.00 61.98 60.65 2nub s VAL 193 Cb -0.05 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.00 2nub s VAL 193 CO -0.05 -0.39 0.48 -0.83 0.00 0.00 0.00 175.10 174.31 2nub s GLY 194 N 1.78 2.16 0.04 4.51 0.00 -0.96 -4.83 107.32 110.01 2nub s GLY 194 Ca 0.02 -1.65 0.05 0.00 0.00 0.00 0.00 44.72 43.13 2nub s GLY 194 CO 0.02 -1.81 -0.08 0.50 0.00 0.00 0.00 173.10 171.73 2nub s ARG 195 N -4.31 2.41 0.35 2.90 1.81 -1.26 -0.16 118.95 120.69 2nub s ARG 195 Ca 0.44 -0.83 -0.20 0.00 -1.72 0.00 0.00 55.73 53.42 2nub s ARG 195 Cb -0.03 -2.43 -0.10 0.00 -0.45 0.00 0.00 34.95 31.94 2nub s ARG 195 CO 0.27 0.57 0.86 0.08 -0.68 0.00 0.00 175.30 176.40 2nub s VAL 196 N -1.08 4.45 0.00 3.52 1.01 -1.20 -4.10 120.40 123.00 2nub s VAL 196 Ca 0.19 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.56 2nub s VAL 196 Cb -0.11 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2nub s VAL 196 CO 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 175.08 2nub n GLN 197 N -0.15 0.00 -3.57 2.72 1.13 -1.00 -3.53 117.38 112.98 2nub n GLN 197 Ca 0.04 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.96 2nub n GLN 197 Cb 0.53 -0.07 -0.12 0.00 0.11 0.00 0.00 30.24 30.69 2nub n GLN 197 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2nub s ASP 198 N -3.76 0.60 0.05 1.08 2.15 -1.25 -4.63 116.67 110.91 2nub s ASP 198 Ca 0.00 0.33 -0.26 0.00 0.43 0.00 0.00 52.55 53.05 2nub s ASP 198 Cb 0.00 0.70 -0.05 0.00 -0.30 0.00 0.00 42.92 43.27 2nub s ASP 198 CO 0.00 -0.27 0.82 -0.69 -0.17 0.00 0.00 175.17 174.86 2nub s VAL 199 N 2.42 4.70 0.35 1.11 1.01 -1.26 -3.82 120.40 124.91 2nub s VAL 199 Ca 0.04 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.81 2nub s VAL 199 Cb -0.14 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2nub s VAL 199 CO -0.11 0.33 0.05 0.72 0.00 0.00 0.00 175.10 176.10 2nub s PHE 200 N 0.07 2.04 0.19 5.22 -0.12 -1.01 -5.00 117.98 119.36 2nub s PHE 200 Ca 0.41 -0.94 -0.30 0.00 -0.05 0.00 0.00 56.93 56.06 2nub s PHE 200 Cb -0.21 -1.37 -0.08 0.00 -0.63 0.00 0.00 43.02 40.74 2nub s PHE 200 CO 0.25 0.06 0.97 0.15 -0.05 0.00 0.00 175.22 176.60 2nub s LYS 201 N -3.85 4.76 0.29 1.99 1.02 -1.26 -1.33 119.74 121.36 2nub s LYS 201 Ca 0.34 1.52 0.11 0.00 0.02 0.00 0.00 55.97 57.96 2nub s LYS 201 Cb 0.08 -3.31 0.41 0.00 -0.52 0.00 0.00 37.83 34.49 2nub s LYS 201 CO 0.15 0.35 1.64 0.00 -0.92 0.00 0.00 175.35 176.57 2nub h ALA 202 N 4.75 1.03 -0.98 5.17 0.00 -1.67 -3.19 119.26 124.36 2nub h ALA 202 Ca -0.44 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 53.96 2nub h ALA 202 Cb 1.21 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2nub h ALA 202 CO 0.70 0.73 0.65 1.57 0.00 0.00 0.00 179.25 182.89 2nub h LYS 203 N 0.00 1.26 -1.69 0.00 2.10 -1.64 -2.93 116.57 113.67 2nub h LYS 203 Ca -0.01 -0.08 0.52 0.00 -2.00 0.00 0.00 60.65 59.09 2nub h LYS 203 Cb 1.04 -0.28 -0.10 0.00 -0.90 0.00 0.00 32.23 31.98 2nub h LYS 203 CO 0.08 0.83 1.17 1.49 -2.00 0.00 0.00 179.45 181.02 2nub h GLU 204 N 1.29 0.01 -1.59 0.07 4.57 -1.88 -2.52 114.58 114.54 2nub h GLU 204 Ca 0.37 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.38 2nub h GLU 204 Cb -0.09 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.42 2nub h GLU 204 CO -0.10 0.01 0.22 1.63 -1.18 0.00 0.00 179.01 179.59 2nub n LYS 205 N -4.27 1.42 0.00 1.92 4.01 -1.11 -4.98 118.16 115.15 2nub n LYS 205 Ca 0.42 -0.85 0.00 0.00 -0.51 0.00 0.00 58.31 57.37 2nub n LYS 205 Cb 1.78 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 2nub n LYS 205 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2nub n GLY 206 N 0.70 2.33 0.03 0.72 0.00 -0.95 -4.00 105.19 104.03 2nub n GLY 206 Ca 0.16 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2nub n GLY 206 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nub n GLU 207 N 6.80 0.00 0.05 1.61 0.28 -1.26 -4.89 120.64 123.23 2nub n GLU 207 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 2nub n GLU 207 Cb 0.00 -0.20 0.30 0.00 1.43 0.00 0.00 31.44 32.97 2nub n GLU 207 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2nub n GLU 208 N -1.52 0.06 0.37 3.44 0.28 -1.26 -2.24 120.64 119.78 2nub n GLU 208 Ca 0.00 0.43 -0.15 0.00 -0.16 0.00 0.00 57.16 57.28 2nub n GLU 208 Cb 0.00 -1.66 -0.07 0.00 1.43 0.00 0.00 31.44 31.14 2nub n GLU 208 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2nub h PHE 209 N 0.00 -0.90 0.00 -1.84 3.57 -1.90 -2.52 116.94 113.34 2nub h PHE 209 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2nub h PHE 209 Cb 0.15 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2nub h PHE 209 CO 0.00 -0.56 0.29 0.74 -2.23 0.00 0.00 178.31 176.54 2nub h PHE 210 N -1.19 0.00 0.06 0.41 -1.00 -1.70 -2.53 116.94 110.99 2nub h PHE 210 Ca -0.10 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 2nub h PHE 210 Cb 0.75 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.31 2nub h PHE 210 CO 0.01 0.00 -0.03 -0.09 -1.61 0.00 0.00 178.31 176.59 2nub h ARG 211 N 0.00 -0.08 0.00 1.51 9.65 -1.40 -3.02 114.38 121.04 2nub h ARG 211 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2nub h ARG 211 Cb 0.57 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2nub h ARG 211 CO 0.00 -0.06 0.00 1.28 2.80 0.00 0.00 179.97 183.99 2nub n LEU 212 N -2.33 0.00 -0.54 3.80 4.77 -0.95 -1.44 117.00 120.31 2nub n LEU 212 Ca -0.01 0.32 0.46 0.00 -0.03 0.00 0.00 56.01 56.75 2nub n LEU 212 Cb 0.03 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 41.92 2nub n LEU 212 CO 0.03 0.00 1.42 0.00 -1.33 0.00 0.00 177.39 177.51 2nub h MET 214 N 0.00 0.00 0.00 0.00 -1.53 -1.11 -2.04 114.93 110.25 2nub h MET 214 Ca 0.78 0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.90 2nub h MET 214 Cb 3.14 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 34.17 2nub h MET 214 CO -0.01 0.00 -1.90 0.39 0.14 0.00 0.00 176.91 175.54 2nub n GLU 215 N -2.57 0.98 -0.32 0.39 1.02 0.30 -4.30 120.64 116.14 2nub n GLU 215 Ca -0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2nub n GLU 215 Cb 0.16 -1.39 0.12 0.00 -0.02 0.00 0.00 31.44 30.31 2nub n GLU 215 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2nub n ARG 216 N -2.31 2.13 -3.65 3.49 1.74 -0.80 -4.87 116.66 112.40 2nub n ARG 216 Ca -0.14 -1.04 -0.37 0.00 -0.77 0.00 0.00 57.85 55.53 2nub n ARG 216 Cb 0.70 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 2nub n ARG 216 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2nub s SER 217 N -0.16 6.63 -0.09 0.55 0.01 -1.04 -4.99 113.70 114.61 2nub s SER 217 Ca 0.18 0.75 0.18 0.00 1.31 0.00 0.00 55.95 58.38 2nub s SER 217 Cb 0.14 -2.17 0.40 0.00 0.21 0.00 0.00 66.02 64.60 2nub s SER 217 CO 0.05 0.33 1.18 0.35 0.41 0.00 0.00 173.24 175.56 2nub n THR 218 N 1.71 1.00 -3.70 1.44 -2.24 -1.26 -4.90 114.28 106.33 2nub n THR 218 Ca -0.15 -1.95 -0.19 0.00 -2.27 0.00 0.00 64.05 59.49 2nub n THR 218 Cb 0.53 0.41 -0.17 0.00 -2.10 0.00 0.00 70.33 69.00 2nub n THR 218 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2nub s HIS 219 N -1.47 0.05 0.36 4.78 3.76 -1.26 -5.00 115.29 116.50 2nub s HIS 219 Ca 0.34 0.23 0.15 0.00 -0.15 0.00 0.00 55.06 55.64 2nub s HIS 219 Cb 0.36 -0.41 1.05 0.00 1.11 0.00 0.00 32.58 34.70 2nub s HIS 219 CO -0.11 -0.16 1.71 0.87 -0.85 0.00 0.00 174.74 176.19 2nub h LYS 220 N 8.12 0.40 0.00 1.40 1.57 -1.95 0.28 116.57 126.38 2nub h LYS 220 Ca -0.21 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2nub h LYS 220 Cb 1.12 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2nub h LYS 220 CO 0.24 0.26 0.00 0.45 -0.57 0.00 0.00 179.45 179.83 2nub n SER 221 N -4.86 0.00 -0.34 0.86 2.88 -1.26 -1.81 113.62 109.08 2nub n SER 221 Ca 0.29 0.66 -0.06 0.00 -1.33 0.00 0.00 58.87 58.43 2nub n SER 221 Cb 0.92 -0.16 -0.02 0.00 -0.75 0.00 0.00 64.21 64.21 2nub n SER 221 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2nub h SER 222 N 0.00 -1.64 0.00 -3.46 0.02 -1.68 -0.37 113.55 106.43 2nub h SER 222 Ca 0.00 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2nub h SER 222 Cb 0.00 0.79 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2nub h SER 222 CO 0.00 -0.29 0.00 1.17 -1.14 0.00 0.00 176.83 176.57 2nub n LYS 223 N -5.40 0.00 0.12 3.45 4.81 0.88 -0.48 118.16 121.54 2nub n LYS 223 Ca 0.06 0.54 0.19 0.00 -0.87 0.00 0.00 58.31 58.23 2nub n LYS 223 Cb 0.35 -1.27 0.67 0.00 0.02 0.00 0.00 35.03 34.79 2nub n LYS 223 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2nub h LYS 224 N 0.00 0.00 0.10 1.64 1.57 -1.18 0.25 116.57 118.95 2nub h LYS 224 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2nub h LYS 224 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 2nub h LYS 224 CO 0.00 0.00 -1.12 0.00 -0.57 0.00 0.00 179.45 177.76 2nub h ALA 225 N 1.21 0.00 -0.06 3.86 0.00 -0.27 -2.63 119.26 121.37 2nub h ALA 225 Ca 0.18 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2nub h ALA 225 Cb 1.33 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2nub h ALA 225 CO -0.00 0.62 -0.04 -1.49 0.00 0.00 0.00 179.25 178.34 2nub h TRP 226 N 0.19 0.16 -0.73 0.00 -0.00 0.21 -3.05 115.95 112.73 2nub h TRP 226 Ca -0.17 -0.04 0.15 0.00 -0.00 0.00 0.00 58.89 58.83 2nub h TRP 226 Cb 1.81 -0.03 -0.10 0.00 -0.00 0.00 0.00 29.16 30.84 2nub h TRP 226 CO 0.13 0.56 0.23 1.49 -0.00 0.00 0.00 178.44 180.84 2nub h GLU 227 N -0.29 0.34 0.00 0.49 4.81 -1.18 -0.08 114.58 118.66 2nub h GLU 227 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2nub h GLU 227 Cb 0.52 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2nub h GLU 227 CO 0.01 0.22 0.00 0.39 -0.73 0.00 0.00 179.01 178.90 2nub n GLU 228 N -5.08 0.00 -0.34 1.92 -0.58 -0.99 -0.85 120.64 114.72 2nub n GLU 228 Ca 0.14 0.72 0.14 0.00 -0.42 0.00 0.00 57.16 57.74 2nub n GLU 228 Cb 0.43 -1.30 0.33 0.00 -0.57 0.00 0.00 31.44 30.34 2nub n GLU 228 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2nub h LEU 229 N 0.00 0.66 0.35 -4.62 3.38 -1.40 -2.60 115.31 111.08 2nub h LEU 229 Ca 0.00 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2nub h LEU 229 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2nub h LEU 229 CO 0.00 0.17 -0.17 0.25 0.09 0.00 0.00 178.44 178.78 2nub h LEU 230 N 0.63 -0.40 -3.36 1.67 5.85 -0.12 -3.04 115.31 116.54 2nub h LEU 230 Ca 0.59 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 59.01 2nub h LEU 230 Cb 1.02 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.03 2nub h LEU 230 CO -0.44 -0.26 0.38 0.29 -0.34 0.00 0.00 178.44 178.07 2nub n LYS 231 N -5.28 1.72 -3.01 1.25 5.02 -0.03 -4.62 118.16 113.22 2nub n LYS 231 Ca -0.10 -1.44 0.02 0.00 -2.02 0.00 0.00 58.31 54.77 2nub n LYS 231 Cb 0.22 -1.56 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2nub n LYS 231 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2nub s ASN 232 N 0.26 -0.90 0.59 4.39 2.47 -1.15 -4.99 114.94 115.61 2nub s ASN 232 Ca 0.28 -0.34 0.38 0.00 0.42 0.00 0.00 52.86 53.60 2nub s ASN 232 Cb 0.22 1.22 1.75 0.00 -1.45 0.00 0.00 41.25 43.00 2nub s ASN 232 CO 0.00 -0.11 2.13 0.03 -3.72 0.00 0.00 177.10 175.43 2nub h ARG 233 N 6.43 0.00 0.05 0.43 -0.00 -1.82 -3.00 114.38 116.46 2nub h ARG 233 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2nub h ARG 233 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.16 2nub h ARG 233 CO 0.01 0.00 -0.17 1.49 0.00 0.00 0.00 179.97 181.30 2nub h GLU 234 N 0.00 -0.23 -0.48 0.04 4.81 -1.94 -3.15 114.58 113.63 2nub h GLU 234 Ca -0.00 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2nub h GLU 234 Cb 0.33 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2nub h GLU 234 CO 0.00 -0.16 -0.07 1.25 -0.73 0.00 0.00 179.01 179.31 2nub h LEU 235 N -0.24 0.89 -0.89 1.64 5.85 -1.93 -3.29 115.31 117.33 2nub h LEU 235 Ca -0.00 -0.34 0.29 0.00 0.84 0.00 0.00 57.88 58.66 2nub h LEU 235 Cb 0.24 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2nub h LEU 235 CO -0.09 1.02 0.60 -1.14 -0.34 0.00 0.00 178.44 178.49 2nub n ARG 236 N -4.27 -0.01 -0.01 1.25 0.63 -1.14 -1.10 116.66 112.01 2nub n ARG 236 Ca 0.00 0.68 -0.00 0.00 -0.92 0.00 0.00 57.85 57.61 2nub n ARG 236 Cb 0.36 -1.41 -0.00 0.00 0.45 0.00 0.00 32.46 31.86 2nub n ARG 236 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2nub h GLU 237 N 0.00 -0.01 0.00 -0.14 5.08 -1.66 -2.26 114.58 115.58 2nub h GLU 237 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2nub h GLU 237 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2nub h GLU 237 CO -0.19 -0.01 0.17 1.63 -1.00 0.00 0.00 179.01 179.62 2nub n LYS 238 N -2.90 0.03 -4.24 2.33 5.02 -0.26 -4.54 118.16 113.60 2nub n LYS 238 Ca -0.00 0.41 -0.31 0.00 -2.02 0.00 0.00 58.31 56.39 2nub n LYS 238 Cb 0.00 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 33.17 2nub n LYS 238 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nub s ALA 239 N -2.87 3.19 0.00 7.82 0.00 -1.08 -5.07 121.76 123.74 2nub s ALA 239 Ca -0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 2nub s ALA 239 Cb 0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2nub s ALA 239 CO 0.04 0.67 0.21 -0.06 0.00 0.00 0.00 175.76 176.61 2nub s PHE 240 N -1.19 3.55 -0.27 0.00 2.99 -1.26 -2.52 117.98 119.28 2nub s PHE 240 Ca 0.22 0.42 -0.06 0.00 0.00 0.00 0.00 56.93 57.52 2nub s PHE 240 Cb -0.11 -1.88 0.01 0.00 0.00 0.00 0.00 43.02 41.03 2nub s PHE 240 CO 0.14 0.63 0.04 -0.51 -0.00 0.00 0.00 175.22 175.52 2nub s LEU 241 N -1.91 3.60 -0.00 -0.37 1.43 -0.44 -2.59 118.68 118.39 2nub s LEU 241 Ca 0.28 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 2nub s LEU 241 Cb -0.13 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 2nub s LEU 241 CO 0.18 -0.15 0.46 -0.69 0.23 0.00 0.00 176.35 176.38 2nub s VAL 242 N 1.48 4.98 -0.44 -1.59 1.01 -1.08 -2.42 120.40 122.35 2nub s VAL 242 Ca 0.03 0.95 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 2nub s VAL 242 Cb -0.17 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.56 2nub s VAL 242 CO 0.01 0.53 0.22 0.68 0.00 0.00 0.00 175.10 176.54 2nub s VAL 243 N -0.81 3.11 0.08 2.92 -7.23 -1.25 -2.85 120.40 114.36 2nub s VAL 243 Ca 0.25 -2.37 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 2nub s VAL 243 Cb -0.17 -3.14 -0.17 0.00 0.56 0.00 0.00 36.38 33.46 2nub s VAL 243 CO 0.14 -0.71 1.65 -0.07 -0.31 0.00 0.00 175.10 175.79 2nub h LEU 244 N 7.67 -0.65 -0.41 1.32 3.38 -1.93 -2.65 115.31 122.04 2nub h LEU 244 Ca -0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2nub h LEU 244 Cb 1.01 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2nub h LEU 244 CO 0.67 -0.44 -0.49 -1.22 0.09 0.00 0.00 178.44 177.04 2nub n TYR 248 N -5.41 -2.16 -3.65 1.13 4.02 -1.26 -4.25 117.16 105.58 2nub n TYR 248 Ca -0.12 1.17 -0.03 0.00 -0.01 0.00 0.00 57.90 58.92 2nub n TYR 248 Cb 0.31 -1.81 -0.07 0.00 -0.02 0.00 0.00 39.34 37.75 2nub n TYR 248 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2nub s THR 249 N -4.72 0.00 0.36 -0.72 -1.32 -1.26 -5.13 115.64 102.85 2nub s THR 249 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 2nub s THR 249 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 2nub s THR 249 CO 0.00 0.00 0.18 -1.22 -2.21 0.00 0.00 174.62 171.37 2nub n TYR 250 N 1.45 -0.15 -3.42 9.09 4.02 -1.13 -5.04 117.16 121.98 2nub n TYR 250 Ca -0.09 -2.52 -0.37 0.00 -0.01 0.00 0.00 57.90 54.91 2nub n TYR 250 Cb 0.57 0.08 -0.06 0.00 -0.02 0.00 0.00 39.34 39.92 2nub n TYR 250 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 2nub s PRO 251 N -3.40 3.98 0.00 -0.72 0.02 -1.26 -2.63 135.00 130.99 2nub s PRO 251 Ca 0.25 0.48 0.00 0.00 0.02 0.00 0.00 61.00 61.75 2nub s PRO 251 Cb 0.01 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.41 2nub s PRO 251 CO 0.18 0.61 0.87 0.00 -0.33 0.00 0.00 177.00 178.32 2nub n ALA 252 N 1.42 0.82 1.35 -1.55 0.00 -1.07 -1.22 120.51 120.26 2nub n ALA 252 Ca -0.10 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.48 2nub n ALA 252 Cb 0.52 -0.80 0.72 0.00 0.00 0.00 0.00 19.45 19.89 2nub n ALA 252 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2nub n THR 253 N -1.37 0.00 -2.28 0.00 -2.24 -1.26 0.35 114.28 107.47 2nub n THR 253 Ca 0.00 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 2nub n THR 253 Cb 0.09 -0.45 0.07 0.00 -2.10 0.00 0.00 70.33 67.95 2nub n THR 253 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2nub n ILE 254 N -1.29 1.44 -3.82 2.28 -5.35 -0.36 -4.93 119.36 107.33 2nub n ILE 254 Ca 0.13 -2.79 -0.23 0.00 -0.27 0.00 0.00 62.75 59.59 2nub n ILE 254 Cb 0.26 0.31 -0.17 0.00 -1.74 0.00 0.00 39.64 38.30 2nub n ILE 254 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2nub s LEU 255 N -2.63 0.73 -0.15 7.28 1.43 -1.23 -0.95 118.68 123.15 2nub s LEU 255 Ca 0.37 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2nub s LEU 255 Cb 0.37 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 46.09 2nub s LEU 255 CO -0.06 -0.17 -0.08 -0.54 0.23 0.00 0.00 176.35 175.72 2nub s LYS 256 N 1.84 3.49 0.23 1.70 1.02 -0.31 0.36 119.74 128.07 2nub s LYS 256 Ca 0.03 -0.62 -0.31 0.00 0.02 0.00 0.00 55.97 55.10 2nub s LYS 256 Cb -0.12 -2.79 -0.11 0.00 -0.52 0.00 0.00 37.83 34.29 2nub s LYS 256 CO -0.05 0.17 1.55 -2.14 -0.92 0.00 0.00 175.35 173.96 2nub s PRO 257 N 0.50 4.20 -0.23 -1.68 0.02 -1.26 -0.39 135.00 136.16 2nub s PRO 257 Ca -0.06 2.42 -0.19 0.00 0.02 0.00 0.00 61.00 63.19 2nub s PRO 257 Cb -0.15 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 2nub s PRO 257 CO 0.03 -0.57 0.54 0.08 -0.33 0.00 0.00 177.00 176.76 2nub s VAL 258 N 0.47 5.07 -0.06 3.83 1.01 0.46 -4.10 120.40 127.08 2nub s VAL 258 Ca 0.65 0.97 -0.03 0.00 0.00 0.00 0.00 61.98 63.58 2nub s VAL 258 Cb -0.45 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2nub s VAL 258 CO 0.40 0.11 0.08 -0.76 0.00 0.00 0.00 175.10 174.93 2nub s LEU 259 N 2.05 3.97 0.49 3.92 1.43 0.34 -4.35 118.68 126.53 2nub s LEU 259 Ca 0.24 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.66 2nub s LEU 259 Cb -0.16 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 43.99 2nub s LEU 259 CO 0.09 0.34 0.59 0.42 0.23 0.00 0.00 176.35 178.02 2nub s THR 260 N -1.07 2.45 0.28 5.49 -4.23 -1.26 -4.08 115.64 113.22 2nub s THR 260 Ca 0.18 -1.13 -0.12 0.00 -1.18 0.00 0.00 61.69 59.44 2nub s THR 260 Cb -0.12 -2.58 -0.08 0.00 1.34 0.00 0.00 72.50 71.06 2nub s THR 260 CO 0.08 0.00 0.64 -0.72 -0.54 0.00 0.00 174.62 174.09 2nub s TYR 261 N -2.54 3.40 0.00 3.99 1.13 -1.26 -5.09 117.35 116.98 2nub s TYR 261 Ca 0.53 1.04 0.00 0.00 -1.41 0.00 0.00 57.07 57.23 2nub s TYR 261 Cb -0.06 -2.39 0.00 0.00 -1.10 0.00 0.00 41.96 38.40 2nub s TYR 261 CO 0.33 0.17 0.00 0.28 -2.51 0.00 0.00 175.55 173.82 2nub n VAL 272 N -0.29 0.00 -3.35 -3.49 0.31 -1.26 -5.12 118.33 105.13 2nub n VAL 272 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.94 2nub n VAL 272 Cb 0.53 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.44 2nub n VAL 272 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nub n ALA 273 N 0.00 4.31 -1.77 3.52 0.00 -1.26 -4.87 120.51 120.45 2nub n ALA 273 Ca 0.00 -4.69 -0.30 0.00 0.00 0.00 0.00 53.44 48.45 2nub n ALA 273 Cb 0.00 -2.16 0.05 0.00 0.00 0.00 0.00 19.45 17.34 2nub n ALA 273 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2nub n ASP 274 N 2.19 6.32 -3.17 0.00 2.03 -1.26 -4.76 116.55 117.91 2nub n ASP 274 Ca 0.24 -3.77 -0.18 0.00 0.52 0.00 0.00 54.79 51.59 2nub n ASP 274 Cb 0.37 -0.69 -0.06 0.00 -0.72 0.00 0.00 41.12 40.02 2nub n ASP 274 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2nub s ILE 275 N -4.83 -0.17 -0.08 5.18 -1.09 -1.26 -5.12 121.20 113.83 2nub s ILE 275 Ca 0.57 -2.00 0.03 0.00 -2.23 0.00 0.00 60.65 57.02 2nub s ILE 275 Cb 0.45 -0.78 -0.02 0.00 -1.58 0.00 0.00 42.46 40.53 2nub s ILE 275 CO -0.05 -0.77 -0.18 0.54 -1.23 0.00 0.00 174.94 173.25 2nub s VAL 276 N 0.40 2.71 -2.00 2.92 0.11 -1.26 -4.99 120.40 118.29 2nub s VAL 276 Ca 0.31 -0.82 0.10 0.00 -2.93 0.00 0.00 61.98 58.65 2nub s VAL 276 Cb 0.02 -2.07 0.29 0.00 -1.53 0.00 0.00 36.38 33.09 2nub s VAL 276 CO -0.14 0.56 1.09 -2.11 -3.33 0.00 0.00 175.10 171.17 2nub n ARG 277 N 3.01 0.56 -0.32 1.54 0.00 -1.26 -4.97 116.66 115.23 2nub n ARG 277 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.72 2nub n ARG 277 Cb 0.52 -1.29 -0.01 0.00 -0.00 0.00 0.00 32.46 31.68 2nub n ARG 277 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2nub n MET 278 N -0.79 -0.64 -0.98 2.89 2.81 -1.26 -4.79 117.12 114.36 2nub n MET 278 Ca 0.08 0.42 -0.35 0.00 -1.81 0.00 0.00 57.70 56.03 2nub n MET 278 Cb 0.04 -0.77 0.07 0.00 -0.71 0.00 0.00 33.22 31.84 2nub n MET 278 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2nub n GLU 279 N -1.32 -0.06 -0.26 0.03 0.28 -1.26 -4.77 120.64 113.27 2nub n GLU 279 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2nub n GLU 279 Cb 0.14 -1.36 0.12 0.00 1.43 0.00 0.00 31.44 31.78 2nub n GLU 279 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 2nub h PRO 280 N -1.04 0.75 -0.74 3.44 0.13 -1.96 -3.11 132.00 129.47 2nub h PRO 280 Ca -0.44 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 2nub h PRO 280 Cb 1.31 -0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 2nub h PRO 280 CO 0.30 0.50 -0.38 0.41 -0.23 0.00 0.00 178.00 178.60 2nub n GLY 281 N -1.30 -1.76 0.11 1.56 0.00 -1.26 0.27 105.19 102.80 2nub n GLY 281 Ca 0.11 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.85 2nub n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nub h LYS 282 N 0.00 -0.17 -0.92 1.61 1.57 -1.91 -2.62 116.57 114.13 2nub h LYS 282 Ca 0.17 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.13 2nub h LYS 282 Cb 0.36 0.04 -0.16 0.00 0.08 0.00 0.00 32.23 32.54 2nub h LYS 282 CO -0.71 0.13 -0.31 0.00 -0.57 0.00 0.00 179.45 177.99 2nub h ARG 283 N -0.46 -0.02 0.26 3.15 2.47 -0.18 1.55 114.38 121.15 2nub h ARG 283 Ca -0.02 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2nub h ARG 283 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2nub h ARG 283 CO 0.03 -0.01 -0.12 1.25 0.56 0.00 0.00 179.97 181.67 2nub h LEU 284 N -0.02 -0.29 -2.46 3.04 6.46 -0.16 -1.28 115.31 120.61 2nub h LEU 284 Ca 0.39 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2nub h LEU 284 Cb 0.64 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2nub h LEU 284 CO -0.94 -0.12 -0.01 0.78 -0.62 0.00 0.00 178.44 177.53 2nub h ASN 285 N -0.45 0.00 -0.14 1.25 4.21 -0.43 0.51 115.58 120.53 2nub h ASN 285 Ca -0.04 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.42 2nub h ASN 285 Cb 0.34 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2nub h ASN 285 CO 0.06 0.01 -0.13 0.25 -1.29 0.00 0.00 177.43 176.33 2nub h LEU 286 N 0.00 0.35 -0.80 1.61 5.85 0.31 -1.53 115.31 121.09 2nub h LEU 286 Ca -0.00 -0.47 -0.12 0.00 0.84 0.00 0.00 57.88 58.13 2nub h LEU 286 Cb 0.03 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2nub h LEU 286 CO 0.00 0.75 -0.41 0.16 -0.34 0.00 0.00 178.44 178.60 2nub h ILE 287 N -0.05 1.31 -0.89 4.05 3.07 -0.15 -2.21 117.51 122.65 2nub h ILE 287 Ca 0.02 -1.56 0.10 0.00 1.55 0.00 0.00 64.86 64.98 2nub h ILE 287 Cb 0.64 1.63 -0.08 0.00 -0.27 0.00 0.00 36.82 38.74 2nub h ILE 287 CO 0.03 0.48 0.53 0.03 -1.05 0.00 0.00 178.15 178.17 2nub h ARG 288 N 0.33 0.84 0.30 0.16 3.08 0.17 0.48 114.38 119.75 2nub h ARG 288 Ca 0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2nub h ARG 288 Cb 0.87 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2nub h ARG 288 CO 0.07 0.55 -0.15 -0.92 -1.07 0.00 0.00 179.97 178.46 2nub h TYR 289 N 0.86 -0.38 -1.16 3.04 3.20 -0.68 -2.56 116.97 119.29 2nub h TYR 289 Ca 0.43 -0.01 0.39 0.00 3.14 0.00 0.00 58.73 62.68 2nub h TYR 289 Cb 0.40 0.12 -0.14 0.00 1.54 0.00 0.00 36.73 38.66 2nub h TYR 289 CO -0.04 -0.23 0.72 0.82 -1.64 0.00 0.00 178.16 177.78 2nub h ILE 290 N -0.41 0.19 -0.42 1.81 2.04 -1.18 1.15 117.51 120.69 2nub h ILE 290 Ca -0.04 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2nub h ILE 290 Cb 0.31 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2nub h ILE 290 CO 0.07 0.03 0.22 0.25 0.00 0.00 0.00 178.15 178.72 2nub h LEU 291 N 0.16 0.53 0.31 1.44 5.85 -0.73 -2.67 115.31 120.21 2nub h LEU 291 Ca 0.78 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.40 2nub h LEU 291 Cb 2.20 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 43.06 2nub h LEU 291 CO -0.51 0.47 -0.51 0.03 -0.34 0.00 0.00 178.44 177.58 2nub h ARG 292 N 0.54 -0.84 -0.20 1.25 2.47 0.18 -1.78 114.38 115.99 2nub h ARG 292 Ca 0.15 0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.95 2nub h ARG 292 Cb 0.07 0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 2nub h ARG 292 CO -0.02 -0.56 -0.43 0.00 0.56 0.00 0.00 179.97 179.52 2nub h ARG 293 N -0.88 -0.37 -0.65 0.04 3.08 -1.50 -0.51 114.38 113.60 2nub h ARG 293 Ca -0.04 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.13 2nub h ARG 293 Cb 0.81 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.85 2nub h ARG 293 CO -0.17 -0.25 -0.30 0.66 -1.07 0.00 0.00 179.97 178.84 2nub n TYR 294 N -4.77 -0.09 0.06 3.04 4.02 -1.01 0.30 117.16 118.71 2nub n TYR 294 Ca -0.04 0.81 -0.09 0.00 -0.01 0.00 0.00 57.90 58.57 2nub n TYR 294 Cb 0.28 -0.67 -0.06 0.00 -0.02 0.00 0.00 39.34 38.87 2nub n TYR 294 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2nub h VAL 295 N 0.00 0.00 -1.20 -0.72 2.07 -0.24 -0.04 116.25 116.12 2nub h VAL 295 Ca 0.18 0.00 0.37 0.00 0.82 0.00 0.00 66.70 68.07 2nub h VAL 295 Cb 0.35 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.00 2nub h VAL 295 CO -0.63 0.00 0.77 0.11 0.02 0.00 0.00 177.57 177.83 2nub h LYS 296 N -0.42 0.19 0.00 1.57 1.57 0.96 0.54 116.57 120.99 2nub h LYS 296 Ca -0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2nub h LYS 296 Cb 0.43 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2nub h LYS 296 CO -0.16 0.13 -0.49 0.00 -0.57 0.00 0.00 179.45 178.35 2nub h ALA 297 N 1.63 0.69 -0.07 3.86 0.00 0.29 -3.35 119.26 122.31 2nub h ALA 297 Ca 0.74 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2nub h ALA 297 Cb 2.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2nub h ALA 297 CO -0.39 0.61 0.00 1.28 0.00 0.00 0.00 179.25 180.75 2nub n LEU 298 N -3.24 2.32 -0.03 0.00 4.77 0.15 -4.71 117.00 116.26 2nub n LEU 298 Ca 0.02 -2.24 -0.13 0.00 -0.03 0.00 0.00 56.01 53.63 2nub n LEU 298 Cb 0.72 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 2nub n LEU 298 CO 0.40 0.59 0.61 0.03 -1.33 0.00 0.00 177.39 177.68 2nub h ARG 299 N 0.44 0.12 0.00 3.23 3.08 -0.48 -2.79 114.38 117.98 2nub h ARG 299 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2nub h ARG 299 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2nub h ARG 299 CO 0.01 0.60 0.05 -0.25 -1.07 0.00 0.00 179.97 179.31 2nub n ASP 300 N -4.74 0.27 -1.06 7.04 8.00 -1.26 -1.12 116.55 123.67 2nub n ASP 300 Ca -0.08 0.60 0.11 0.00 0.71 0.00 0.00 54.79 56.13 2nub n ASP 300 Cb 0.30 -0.62 0.19 0.00 -0.02 0.00 0.00 41.12 40.97 2nub n ASP 300 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2nub n TYR 301 N -1.85 0.43 -0.12 1.24 4.01 -1.18 -4.96 117.16 114.73 2nub n TYR 301 Ca -0.01 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2nub n TYR 301 Cb 0.06 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 2nub n TYR 301 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nub n GLY 302 N 1.37 0.59 3.67 2.72 0.00 -0.28 -4.60 105.19 108.66 2nub n GLY 302 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2nub n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2nub s TRP 303 N -2.23 3.44 -0.20 1.61 0.52 -1.06 -1.62 118.94 119.39 2nub s TRP 303 Ca 0.00 1.23 -0.04 0.00 0.02 0.00 0.00 56.10 57.31 2nub s TRP 303 Cb 0.00 -2.97 -0.01 0.00 -1.15 0.00 0.00 33.47 29.34 2nub s TRP 303 CO 0.00 -0.19 -0.05 -0.47 0.02 0.00 0.00 176.95 176.26 2nub s TYR 304 N 1.94 2.95 -0.24 -1.98 5.04 0.18 -4.32 117.35 120.92 2nub s TYR 304 Ca 0.37 -0.82 0.02 0.00 -2.44 0.00 0.00 57.07 54.20 2nub s TYR 304 Cb -0.17 -2.07 0.06 0.00 0.35 0.00 0.00 41.96 40.13 2nub s TYR 304 CO 0.13 -0.45 -0.08 0.42 -1.34 0.00 0.00 175.55 174.23 2nub s ILE 305 N 1.25 1.77 0.20 3.14 1.01 -1.26 0.21 121.20 127.52 2nub s ILE 305 Ca 0.03 -1.36 -0.32 0.00 0.00 0.00 0.00 60.65 58.99 2nub s ILE 305 Cb -0.14 -1.97 -0.14 0.00 0.01 0.00 0.00 42.46 40.22 2nub s ILE 305 CO -0.01 -0.06 1.42 -0.24 0.00 0.00 0.00 174.94 176.05 2nub n SER 306 N 4.58 2.62 0.14 3.58 2.88 0.08 -4.91 113.62 122.60 2nub n SER 306 Ca -0.13 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.67 2nub n SER 306 Cb 0.43 -1.39 0.37 0.00 -0.75 0.00 0.00 64.21 62.87 2nub n SER 306 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2nub h PRO 307 N 4.56 0.00 -6.04 -1.46 0.13 -1.99 -3.42 132.00 123.78 2nub h PRO 307 Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 2nub h PRO 307 Cb 1.28 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 2nub h PRO 307 CO 0.78 0.00 0.02 -1.83 -0.23 0.00 0.00 178.00 176.74 2nub s GLU 308 N -3.17 4.37 0.90 0.86 4.04 -1.26 -5.06 118.70 119.39 2nub s GLU 308 Ca 0.09 0.77 -0.11 0.00 0.04 0.00 0.00 54.97 55.76 2nub s GLU 308 Cb 0.10 -3.39 0.13 0.00 0.02 0.00 0.00 34.13 31.00 2nub s GLU 308 CO 0.59 0.23 1.09 -1.21 -1.84 0.00 0.00 175.26 174.13 2nub s GLU 309 N 0.25 1.18 0.21 -4.83 8.01 -1.26 -4.65 118.70 117.61 2nub s GLU 309 Ca 0.33 0.98 -0.10 0.00 0.01 0.00 0.00 54.97 56.19 2nub s GLU 309 Cb -0.18 -1.79 -0.07 0.00 -4.31 0.00 0.00 34.13 27.78 2nub s GLU 309 CO 0.17 -2.34 0.54 -1.21 0.01 0.00 0.00 175.26 172.43 2nub s GLU 310 N -4.84 3.83 0.16 1.61 0.41 -0.68 -4.89 118.70 114.30 2nub s GLU 310 Ca 0.64 0.30 0.10 0.00 -0.41 0.00 0.00 54.97 55.60 2nub s GLU 310 Cb -0.19 -2.72 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 2nub s GLU 310 CO 0.58 0.36 -0.21 -0.98 -0.49 0.00 0.00 175.26 174.51 2nub s ARG 311 N -2.61 1.32 0.21 1.61 1.70 -1.26 0.60 118.95 120.52 2nub s ARG 311 Ca 0.45 -1.38 -0.31 0.00 -0.47 0.00 0.00 55.73 54.02 2nub s ARG 311 Cb -0.12 -1.55 -0.15 0.00 -0.57 0.00 0.00 34.95 32.56 2nub s ARG 311 CO 0.21 0.34 1.01 0.00 -1.08 0.00 0.00 175.30 175.78 2nub n ALA 312 N 0.53 -0.97 0.08 7.88 0.00 -1.15 -4.85 120.51 122.03 2nub n ALA 312 Ca -0.15 0.44 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 2nub n ALA 312 Cb 0.56 -1.96 0.11 0.00 0.00 0.00 0.00 19.45 18.16 2nub n ALA 312 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2nub h LYS 313 N 2.51 0.24 0.00 0.00 1.57 -0.79 -3.48 116.57 116.62 2nub h LYS 313 Ca -0.40 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2nub h LYS 313 Cb 1.36 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2nub h LYS 313 CO 0.65 0.79 0.00 0.41 -0.57 0.00 0.00 179.45 180.72 2nub n GLY 314 N 0.32 -2.18 3.91 3.86 0.00 -1.23 -5.03 105.19 104.85 2nub n GLY 314 Ca -0.02 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 2nub n GLY 314 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nub s LYS 315 N -1.93 3.54 -0.07 1.61 2.20 -1.26 -0.59 119.74 123.24 2nub s LYS 315 Ca 0.00 -0.26 -0.00 0.00 -0.36 0.00 0.00 55.97 55.35 2nub s LYS 315 Cb 0.00 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 2nub s LYS 315 CO 0.00 0.51 -0.04 -1.17 -0.36 0.00 0.00 175.35 174.29 2nub s LEU 316 N -2.71 3.33 -0.18 5.43 2.96 0.69 -4.91 118.68 123.29 2nub s LEU 316 Ca 0.38 0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 54.17 2nub s LEU 316 Cb -0.12 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2nub s LEU 316 CO 0.26 0.36 0.39 0.20 -1.32 0.00 0.00 176.35 176.25 2nub s ASN 317 N -0.89 6.47 0.09 3.68 0.01 -1.26 -4.80 114.94 118.25 2nub s ASN 317 Ca 0.13 0.55 0.05 0.00 -0.71 0.00 0.00 52.86 52.89 2nub s ASN 317 Cb -0.11 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 2nub s ASN 317 CO 0.02 -0.04 -0.13 0.72 -1.51 0.00 0.00 177.10 176.17 2nub s PHE 318 N 1.08 1.21 -0.28 2.20 -0.71 -1.26 -4.87 117.98 115.35 2nub s PHE 318 Ca 0.20 -0.54 -0.29 0.00 -1.04 0.00 0.00 56.93 55.25 2nub s PHE 318 Cb -0.14 -0.66 -0.01 0.00 -1.21 0.00 0.00 43.02 40.99 2nub s PHE 318 CO 0.08 0.06 1.51 0.15 -1.34 0.00 0.00 175.22 175.68 2nub s LYS 319 N -2.30 3.75 -0.15 1.99 3.01 -1.26 -4.86 119.74 119.91 2nub s LYS 319 Ca 0.03 1.41 0.14 0.00 -1.01 0.00 0.00 55.97 56.54 2nub s LYS 319 Cb -0.06 -4.00 0.35 0.00 -1.01 0.00 0.00 37.83 33.10 2nub s LYS 319 CO 0.02 -1.34 1.18 -0.40 0.51 0.00 0.00 175.35 175.32 2nub n ASP 320 N 8.44 1.82 -4.68 2.83 5.75 -1.26 -4.54 116.55 124.90 2nub n ASP 320 Ca 0.18 -3.37 -0.37 0.00 -0.01 0.00 0.00 54.79 51.22 2nub n ASP 320 Cb 0.46 -0.46 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 2nub n ASP 320 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2nub s THR 321 N -2.72 5.33 0.35 2.12 2.01 -1.26 -5.01 115.64 116.46 2nub s THR 321 Ca 0.34 0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.76 2nub s THR 321 Cb 0.32 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 2nub s THR 321 CO -0.04 0.35 0.13 0.68 -0.69 0.00 0.00 174.62 175.05 2nub s VAL 322 N 0.90 2.91 0.09 3.82 -7.23 -1.26 -0.02 120.40 119.60 2nub s VAL 322 Ca 0.11 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.42 2nub s VAL 322 Cb -0.13 -2.95 0.02 0.00 0.56 0.00 0.00 36.38 33.88 2nub s VAL 322 CO 0.04 -0.17 0.31 -1.48 -0.31 0.00 0.00 175.10 173.49 2nub s LEU 323 N -3.83 0.84 0.00 1.32 0.05 0.51 -2.14 118.68 115.43 2nub s LEU 323 Ca 0.38 -0.36 0.00 0.00 0.05 0.00 0.00 54.13 54.20 2nub s LEU 323 Cb -0.02 1.45 0.00 0.00 -2.05 0.00 0.00 46.19 45.58 2nub s LEU 323 CO 0.22 -0.73 0.00 -0.90 -0.55 0.00 0.00 176.35 174.39 2nub n ASP 324 N 0.11 0.00 -0.00 1.48 5.68 -0.98 -1.31 116.55 121.52 2nub n ASP 324 Ca -0.17 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.28 2nub n ASP 324 Cb 0.62 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 41.47 2nub n ASP 324 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nub n ALA 325 N -3.00 2.61 0.19 2.12 0.00 0.45 -3.35 120.51 119.53 2nub n ALA 325 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.28 2nub n ALA 325 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 19.45 17.94 2nub n ALA 325 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nub n LYS 326 N -1.10 2.98 0.00 0.00 4.76 -1.26 -5.01 118.16 118.53 2nub n LYS 326 Ca 0.20 -0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 2nub n LYS 326 Cb 0.16 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 2nub n LYS 326 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nub n GLY 327 N 0.72 2.96 3.69 0.72 0.00 -1.21 -5.03 105.19 107.04 2nub n GLY 327 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.51 2nub n GLY 327 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nub n LYS 328 N -1.10 1.69 -4.58 1.61 5.02 -1.26 -4.67 118.16 114.87 2nub n LYS 328 Ca 0.00 0.62 -0.27 0.00 -2.02 0.00 0.00 58.31 56.64 2nub n LYS 328 Cb 0.00 -2.38 -0.11 0.00 -0.02 0.00 0.00 35.03 32.52 2nub n LYS 328 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2nub s ASN 329 N 3.48 3.68 0.00 4.39 2.20 -1.26 -2.31 114.94 125.12 2nub s ASN 329 Ca 0.94 -1.33 0.30 0.00 -0.94 0.00 0.00 52.86 51.83 2nub s ASN 329 Cb -0.86 -0.35 1.47 0.00 -2.00 0.00 0.00 41.25 39.50 2nub s ASN 329 CO 0.57 -0.41 1.99 0.35 -2.94 0.00 0.00 177.10 176.65 2nub n THR 330 N -0.90 0.00 0.13 0.54 -2.24 -0.91 -2.06 114.28 108.84 2nub n THR 330 Ca -0.05 -0.08 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 2nub n THR 330 Cb 0.66 -0.13 0.18 0.00 -2.10 0.00 0.00 70.33 68.95 2nub n THR 330 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nub h LYS 331 N 0.77 0.06 0.00 -0.78 3.64 -1.95 -3.32 116.57 114.99 2nub h LYS 331 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2nub h LYS 331 Cb 0.25 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2nub h LYS 331 CO 0.00 0.62 0.00 0.28 -2.27 0.00 0.00 179.45 178.08 2nub n VAL 332 N -3.86 0.00 -1.98 2.00 0.31 -1.12 -4.67 118.33 109.01 2nub n VAL 332 Ca -0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.06 2nub n VAL 332 Cb 0.59 -0.72 -0.06 0.00 -0.91 0.00 0.00 33.84 32.74 2nub n VAL 332 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2nub s ILE 333 N 0.00 3.42 0.31 2.52 2.07 -0.87 -4.75 121.20 123.90 2nub s ILE 333 Ca 0.00 -0.57 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 2nub s ILE 333 Cb 0.00 -4.19 0.20 0.00 0.13 0.00 0.00 42.46 38.60 2nub s ILE 333 CO 0.00 -0.81 1.91 0.71 -1.91 0.00 0.00 174.94 174.83 2nub h THR 334 N 6.75 1.20 -1.58 4.00 1.35 -1.83 -3.39 112.91 119.41 2nub h THR 334 Ca 0.14 -0.59 -0.43 0.00 -0.55 0.00 0.00 66.41 64.98 2nub h THR 334 Cb 0.97 0.45 -0.04 0.00 -1.73 0.00 0.00 68.15 67.81 2nub h THR 334 CO 1.18 0.24 1.17 0.21 -0.25 0.00 0.00 175.52 178.07 2nub s ASN 335 N -6.52 5.17 0.32 5.36 3.04 -1.26 -4.86 114.94 116.20 2nub s ASN 335 Ca -0.10 0.07 0.09 0.00 0.04 0.00 0.00 52.86 52.97 2nub s ASN 335 Cb 0.16 -2.54 0.92 0.00 -1.54 0.00 0.00 41.25 38.26 2nub s ASN 335 CO 0.79 -2.53 1.67 -0.07 -3.04 0.00 0.00 177.10 173.91 2nub h LEU 336 N 17.09 0.37 -1.23 3.21 -0.00 -1.97 1.01 115.31 133.78 2nub h LEU 336 Ca -0.15 0.18 -0.03 0.00 -0.00 0.00 0.00 57.88 57.88 2nub h LEU 336 Cb 1.12 0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.92 2nub h LEU 336 CO 1.21 -0.10 0.21 -0.09 -0.00 0.00 0.00 178.44 179.66 2nub h ARG 337 N 0.33 0.74 -0.08 1.13 2.43 -1.96 -1.03 114.38 115.93 2nub h ARG 337 Ca 0.66 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.65 2nub h ARG 337 Cb 1.40 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2nub h ARG 337 CO -0.60 0.61 -0.23 -0.22 -1.51 0.00 0.00 179.97 178.03 2nub h LYS 338 N 0.74 0.30 -0.20 0.20 3.64 0.46 -3.06 116.57 118.64 2nub h LYS 338 Ca 0.18 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2nub h LYS 338 Cb 0.15 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2nub h LYS 338 CO -0.02 0.83 -0.25 0.35 -2.27 0.00 0.00 179.45 178.09 2nub h PHE 339 N -0.18 -0.76 -1.04 1.91 3.57 0.17 0.24 116.94 120.85 2nub h PHE 339 Ca -0.01 0.04 0.32 0.00 3.53 0.00 0.00 57.97 61.85 2nub h PHE 339 Cb 0.84 0.36 -0.14 0.00 2.79 0.00 0.00 35.95 39.80 2nub h PHE 339 CO 0.12 -0.21 0.61 -0.07 -2.23 0.00 0.00 178.31 176.53 2nub h LEU 340 N -0.16 0.50 -1.43 0.59 3.38 -1.30 0.70 115.31 117.59 2nub h LEU 340 Ca 0.04 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2nub h LEU 340 Cb 0.25 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2nub h LEU 340 CO -0.28 -0.09 -0.27 -0.08 0.09 0.00 0.00 178.44 177.81 2nub h GLU 341 N 0.33 0.00 -0.01 1.13 4.81 -0.87 -3.15 114.58 116.83 2nub h GLU 341 Ca 0.72 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.95 2nub h GLU 341 Cb 1.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.09 2nub h GLU 341 CO -0.54 0.27 -0.37 1.28 -0.73 0.00 0.00 179.01 178.92 2nub n LEU 342 N -3.80 1.20 -4.75 1.64 4.77 0.20 -5.03 117.00 111.23 2nub n LEU 342 Ca -0.01 -0.69 -0.38 0.00 -0.03 0.00 0.00 56.01 54.89 2nub n LEU 342 Cb 0.36 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2nub n LEU 342 CO 0.35 0.24 0.98 0.00 -1.33 0.00 0.00 177.39 177.63 2nub s ARG 344 N -2.97 2.38 0.76 0.00 1.81 -1.26 -5.00 118.95 114.66 2nub s ARG 344 Ca 0.73 -2.25 -0.17 0.00 -1.72 0.00 0.00 55.73 52.33 2nub s ARG 344 Cb -0.40 -3.70 -0.10 0.00 -0.45 0.00 0.00 34.95 30.30 2nub s ARG 344 CO 0.47 -1.14 -0.06 -2.30 -0.68 0.00 0.00 175.30 171.59 2nub n PRO 345 N 3.95 0.08 -2.04 3.54 -0.02 -1.26 -0.41 135.00 138.83 2nub n PRO 345 Ca 0.04 0.04 -0.40 0.00 -2.02 0.00 0.00 63.50 61.16 2nub n PRO 345 Cb 0.39 -1.35 -0.00 0.00 -0.02 0.00 0.00 33.50 32.52 2nub n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2nub n PHE 346 N -2.26 2.65 -1.69 6.00 3.01 0.36 -4.48 117.46 121.04 2nub n PHE 346 Ca 0.06 -2.82 -0.40 0.00 1.01 0.00 0.00 57.45 55.29 2nub n PHE 346 Cb 0.51 -1.86 0.02 0.00 -0.01 0.00 0.00 39.48 38.14 2nub n PHE 346 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 2nub n VAL 347 N 2.02 2.76 0.00 -4.37 3.14 -1.26 -4.35 118.33 116.27 2nub n VAL 347 Ca 0.59 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 2nub n VAL 347 Cb 0.27 -1.52 0.00 0.00 -1.06 0.00 0.00 33.84 31.52 2nub n VAL 347 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2nub n LYS 348 N -0.13 0.00 -3.31 1.45 5.02 -1.26 -4.95 118.16 114.98 2nub n LYS 348 Ca 0.08 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.90 2nub n LYS 348 Cb 0.41 -0.46 -0.01 0.00 -0.02 0.00 0.00 35.03 34.94 2nub n LYS 348 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2nub s LYS 349 N -1.26 3.78 0.66 1.97 2.47 -1.26 -4.93 119.74 121.17 2nub s LYS 349 Ca 0.00 -2.65 0.35 0.00 -1.56 0.00 0.00 55.97 52.11 2nub s LYS 349 Cb 0.00 -4.49 1.91 0.00 -1.46 0.00 0.00 37.83 33.79 2nub s LYS 349 CO 0.00 -1.30 2.10 0.38 0.16 0.00 0.00 175.35 176.69 2nub h ASP 350 N 7.50 0.00 -3.31 1.43 3.04 -1.92 -3.41 116.42 119.74 2nub h ASP 350 Ca 0.13 0.00 -0.39 0.00 -3.24 0.00 0.00 57.03 53.53 2nub h ASP 350 Cb 0.99 0.00 -0.38 0.00 -1.04 0.00 0.00 39.33 38.90 2nub h ASP 350 CO 0.84 0.00 -0.75 -0.69 -2.04 0.00 0.00 179.24 176.60 2nub s VAL 351 N -4.19 0.12 -0.10 4.15 1.01 -1.26 -2.31 120.40 117.81 2nub s VAL 351 Ca -0.04 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2nub s VAL 351 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2nub s VAL 351 CO 0.36 0.21 -0.12 -0.76 0.00 0.00 0.00 175.10 174.79 2nub s LEU 352 N 1.94 2.82 -0.13 3.92 1.43 0.18 -4.97 118.68 123.87 2nub s LEU 352 Ca 0.03 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 2nub s LEU 352 Cb -0.12 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2nub s LEU 352 CO -0.04 0.25 0.26 -0.94 0.23 0.00 0.00 176.35 176.11 2nub s SER 353 N -0.15 6.45 -0.05 2.29 1.04 -1.25 -0.39 113.70 121.64 2nub s SER 353 Ca -0.00 0.53 -0.05 0.00 0.48 0.00 0.00 55.95 56.91 2nub s SER 353 Cb -0.13 -2.16 0.01 0.00 0.10 0.00 0.00 66.02 63.84 2nub s SER 353 CO 0.03 0.20 0.15 0.54 0.98 0.00 0.00 173.24 175.14 2nub s VAL 354 N -0.07 0.00 -0.09 5.02 0.11 -1.03 -0.15 120.40 124.20 2nub s VAL 354 Ca 0.16 -0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2nub s VAL 354 Cb -0.13 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2nub s VAL 354 CO 0.05 -0.01 0.15 -1.61 -3.33 0.00 0.00 175.10 170.34 2nub s GLU 355 N 0.04 3.42 -0.26 1.54 2.02 -1.01 -1.08 118.70 123.37 2nub s GLU 355 Ca -0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 2nub s GLU 355 Cb -0.01 -3.14 0.03 0.00 0.10 0.00 0.00 34.13 31.11 2nub s GLU 355 CO 0.00 0.75 -0.05 0.42 0.02 0.00 0.00 175.26 176.39 2nub s ILE 356 N -1.11 2.81 -0.17 -1.63 1.01 0.53 -0.57 121.20 122.08 2nub s ILE 356 Ca 0.19 -1.17 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 2nub s ILE 356 Cb -0.12 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 2nub s ILE 356 CO 0.08 0.11 0.06 -0.63 0.00 0.00 0.00 174.94 174.57 2nub s ILE 357 N 1.29 4.82 -0.13 2.92 -1.09 -0.28 -0.65 121.20 128.08 2nub s ILE 357 Ca -0.02 -0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.36 2nub s ILE 357 Cb -0.18 -3.15 0.03 0.00 -1.58 0.00 0.00 42.46 37.59 2nub s ILE 357 CO -0.04 0.49 -0.04 -0.55 -1.23 0.00 0.00 174.94 173.57 2nub s SER 358 N 0.08 2.38 -0.21 3.58 0.15 -0.56 -1.59 113.70 117.53 2nub s SER 358 Ca 0.05 -0.44 -0.08 0.00 0.70 0.00 0.00 55.95 56.18 2nub s SER 358 Cb -0.12 -0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 2nub s SER 358 CO 0.01 -0.18 0.08 -0.69 1.20 0.00 0.00 173.24 173.66 2nub s VAL 359 N 1.75 4.76 -0.12 4.45 1.01 -0.52 0.12 120.40 131.84 2nub s VAL 359 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 2nub s VAL 359 Cb -0.14 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.11 2nub s VAL 359 CO -0.07 0.41 0.31 -0.44 0.00 0.00 0.00 175.10 175.31 2nub s SER 360 N 0.76 -0.34 0.45 3.32 0.01 -0.02 -3.85 113.70 114.04 2nub s SER 360 Ca 0.04 0.65 -0.22 0.00 1.31 0.00 0.00 55.95 57.73 2nub s SER 360 Cb -0.13 0.58 -0.08 0.00 0.21 0.00 0.00 66.02 66.60 2nub s SER 360 CO 0.02 -0.15 1.07 0.68 0.41 0.00 0.00 173.24 175.27 2nub s VAL 361 N 0.82 3.63 0.39 3.43 -7.23 -1.25 -3.00 120.40 117.18 2nub s VAL 361 Ca -0.05 1.12 0.00 0.00 -1.81 0.00 0.00 61.98 61.24 2nub s VAL 361 Cb -0.06 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.36 2nub s VAL 361 CO -0.06 -0.11 0.00 -1.22 -0.31 0.00 0.00 175.10 173.40 2nub n TYR 362 N -0.59 -3.17 -1.46 2.82 4.01 -1.26 -4.11 117.16 113.40 2nub n TYR 362 Ca 0.08 1.64 -0.39 0.00 -0.16 0.00 0.00 57.90 59.07 2nub n TYR 362 Cb 0.51 -2.88 -0.03 0.00 -0.31 0.00 0.00 39.34 36.63 2nub n TYR 362 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2nub n LYS 363 N -3.90 3.87 -1.77 -0.72 0.00 -1.26 -4.88 118.16 109.51 2nub n LYS 363 Ca -0.02 -2.47 -0.15 0.00 0.00 0.00 0.00 58.31 55.67 2nub n LYS 363 Cb 0.65 -2.74 0.08 0.00 0.00 0.00 0.00 35.03 33.02 2nub n LYS 363 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2nub n LYS 364 N 3.11 0.08 -4.07 1.64 -0.00 -1.26 -5.12 118.16 112.54 2nub n LYS 364 Ca 0.74 -1.65 -0.18 0.00 -0.00 0.00 0.00 58.31 57.22 2nub n LYS 364 Cb 0.25 -0.45 -0.16 0.00 -0.00 0.00 0.00 35.03 34.67 2nub n LYS 364 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2nub s LEU 365 N 0.00 1.31 -0.48 -5.58 -0.00 -1.26 -5.11 118.68 107.55 2nub s LEU 365 Ca 0.41 -0.09 -0.03 0.00 -0.00 0.00 0.00 54.13 54.43 2nub s LEU 365 Cb -0.02 -0.35 0.13 0.00 -0.00 0.00 0.00 46.19 45.95 2nub s LEU 365 CO 0.28 -0.07 0.28 -1.61 -0.00 0.00 0.00 176.35 175.23 2nub s GLU 366 N 0.89 2.18 0.27 1.48 8.01 -1.26 -4.85 118.70 125.42 2nub s GLU 366 Ca -0.11 -2.08 0.14 0.00 0.01 0.00 0.00 54.97 52.93 2nub s GLU 366 Cb -0.14 -3.62 0.22 0.00 -4.31 0.00 0.00 34.13 26.27 2nub s GLU 366 CO -0.00 -1.11 1.51 0.11 0.01 0.00 0.00 175.26 175.78 2nub h TRP 367 N 7.67 0.00 -0.79 1.61 5.08 -1.99 -3.15 115.95 124.39 2nub h TRP 367 Ca -0.09 0.00 0.09 0.00 1.08 0.00 0.00 58.89 59.97 2nub h TRP 367 Cb 1.01 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.10 2nub h TRP 367 CO 0.60 0.60 0.43 0.00 -1.28 0.00 0.00 178.44 178.80 2nub h ARG 368 N 0.00 0.70 0.01 0.12 2.47 -1.98 0.84 114.38 116.55 2nub h ARG 368 Ca -0.01 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2nub h ARG 368 Cb 1.30 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 2nub h ARG 368 CO 0.08 0.47 -0.01 0.87 0.56 0.00 0.00 179.97 181.94 2nub h LYS 369 N 0.73 -0.02 -0.58 0.04 1.57 -1.96 -1.83 116.57 114.52 2nub h LYS 369 Ca 0.38 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.25 2nub h LYS 369 Cb 0.37 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 2nub h LYS 369 CO -0.25 0.38 0.21 0.93 -0.57 0.00 0.00 179.45 180.14 2nub h GLU 370 N -0.41 0.38 0.53 3.15 4.39 -1.41 0.20 114.58 121.41 2nub h GLU 370 Ca -0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2nub h GLU 370 Cb 0.40 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2nub h GLU 370 CO 0.00 0.25 -0.50 0.93 -1.16 0.00 0.00 179.01 178.53 2nub h GLU 371 N 0.39 -0.98 -0.03 2.33 4.39 0.76 -1.11 114.58 120.33 2nub h GLU 371 Ca 0.29 0.07 0.04 0.00 0.34 0.00 0.00 59.36 60.09 2nub h GLU 371 Cb 0.34 0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 2nub h GLU 371 CO -0.29 -0.66 -0.35 0.35 -1.16 0.00 0.00 179.01 176.91 2nub h PHE 372 N -1.02 -0.97 -0.64 4.33 3.57 -0.82 -0.21 116.94 121.18 2nub h PHE 372 Ca -0.07 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.59 2nub h PHE 372 Cb 0.88 0.43 -0.12 0.00 2.79 0.00 0.00 35.95 39.93 2nub h PHE 372 CO -0.24 -0.43 -0.21 1.25 -2.23 0.00 0.00 178.31 176.44 2nub h LEU 373 N -0.49 -0.76 -0.79 0.59 7.12 -0.52 0.86 115.31 121.33 2nub h LEU 373 Ca 0.07 0.21 -0.00 0.00 0.13 0.00 0.00 57.88 58.28 2nub h LEU 373 Cb 0.59 0.45 -0.04 0.00 -0.53 0.00 0.00 40.66 41.13 2nub h LEU 373 CO -0.30 -0.24 0.48 0.11 -0.13 0.00 0.00 178.44 178.36 2nub h LYS 374 N -0.05 1.07 -0.25 1.25 1.57 -0.59 0.18 116.57 119.75 2nub h LYS 374 Ca 0.30 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2nub h LYS 374 Cb 0.51 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2nub h LYS 374 CO -0.68 0.74 -0.35 1.49 -0.57 0.00 0.00 179.45 180.08 2nub h GLU 375 N 1.08 0.54 0.43 3.15 4.57 0.10 -1.52 114.58 122.93 2nub h GLU 375 Ca 0.28 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2nub h GLU 375 Cb -0.05 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2nub h GLU 375 CO -0.05 0.82 -0.20 1.25 -1.18 0.00 0.00 179.01 179.64 2nub h LEU 376 N 0.46 -0.48 -0.94 1.64 5.85 0.12 0.26 115.31 122.22 2nub h LEU 376 Ca 0.05 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.06 2nub h LEU 376 Cb 0.83 0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.84 2nub h LEU 376 CO 0.07 -0.14 0.38 0.40 -0.34 0.00 0.00 178.44 178.80 2nub h ILE 377 N -0.98 0.31 -0.06 4.05 2.04 -0.70 0.12 117.51 122.29 2nub h ILE 377 Ca -0.06 -0.09 -0.24 0.00 1.00 0.00 0.00 64.86 65.47 2nub h ILE 377 Cb 0.44 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2nub h ILE 377 CO 0.10 0.05 -0.91 -1.13 0.00 0.00 0.00 178.15 176.25 2nub h ASN 378 N 0.26 0.85 0.81 1.72 -1.24 -1.28 -1.76 115.58 114.93 2nub h ASN 378 Ca 0.63 -0.62 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2nub h ASN 378 Cb 1.35 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 40.14 2nub h ASN 378 CO -0.64 1.42 -0.06 0.15 -1.29 0.00 0.00 177.43 177.02 2nub h PHE 379 N 0.42 0.00 0.00 0.67 3.57 0.20 -1.91 116.94 119.89 2nub h PHE 379 Ca -0.09 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.32 2nub h PHE 379 Cb 1.55 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.27 2nub h PHE 379 CO 0.09 0.06 -1.44 -0.11 -2.23 0.00 0.00 178.31 174.68 2nub n LEU 380 N -3.22 0.65 -0.03 0.59 7.94 -0.06 -3.67 117.00 119.21 2nub n LEU 380 Ca -0.00 0.27 -0.11 0.00 -1.11 0.00 0.00 56.01 55.05 2nub n LEU 380 Cb 0.30 0.04 0.03 0.00 0.53 0.00 0.00 43.42 44.32 2nub n LEU 380 CO 0.28 0.03 0.48 0.50 -1.11 0.00 0.00 177.39 177.57 2nub h LYS 381 N 0.00 0.68 0.00 1.96 3.64 -0.69 0.19 116.57 122.35 2nub h LYS 381 Ca -0.11 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2nub h LYS 381 Cb 1.33 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2nub h LYS 381 CO 0.02 1.03 -0.00 -0.97 -2.27 0.00 0.00 179.45 177.26 2nub h ASN 382 N 0.53 0.00 0.42 4.20 -0.00 -1.45 -0.88 115.58 118.39 2nub h ASN 382 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 2nub h ASN 382 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.41 2nub h ASN 382 CO 0.11 0.00 -0.75 0.29 -0.00 0.00 0.00 177.43 177.08 2nub n LYS 383 N -3.10 0.11 -0.04 6.67 4.76 -0.86 -4.96 118.16 120.74 2nub n LYS 383 Ca -0.01 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2nub n LYS 383 Cb 0.21 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 2nub n LYS 383 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nub n GLY 384 N 1.45 1.80 2.91 0.72 0.00 -0.34 -4.78 105.19 106.96 2nub n GLY 384 Ca 0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2nub n GLY 384 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nub s ILE 385 N -2.00 1.37 -0.51 -0.61 -1.09 -0.00 -4.87 121.20 113.49 2nub s ILE 385 Ca 0.00 -1.07 -0.28 0.00 -2.23 0.00 0.00 60.65 57.07 2nub s ILE 385 Cb 0.00 -1.65 0.03 0.00 -1.58 0.00 0.00 42.46 39.26 2nub s ILE 385 CO 0.00 -0.08 1.10 -0.75 -1.23 0.00 0.00 174.94 173.98 2nub s LYS 386 N 1.47 3.59 -1.24 2.79 2.20 -0.98 -3.56 119.74 124.02 2nub s LYS 386 Ca -0.04 0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 55.81 2nub s LYS 386 Cb -0.18 -3.96 0.20 0.00 -1.51 0.00 0.00 37.83 32.38 2nub s LYS 386 CO -0.07 -1.45 1.80 -0.11 -0.36 0.00 0.00 175.35 175.16 2nub n LEU 387 N 7.87 6.61 -4.62 5.43 7.94 -1.26 -0.65 117.00 138.31 2nub n LEU 387 Ca 0.09 -4.76 -0.43 0.00 -1.11 0.00 0.00 56.01 49.80 2nub n LEU 387 Cb 0.49 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 42.97 2nub n LEU 387 CO 0.70 1.44 1.75 1.17 -1.11 0.00 0.00 177.39 181.33 2nub n LYS 388 N 3.37 2.34 -2.39 1.96 3.00 0.48 -4.85 118.16 122.06 2nub n LYS 388 Ca 0.37 0.75 -0.39 0.00 -0.00 0.00 0.00 58.31 59.04 2nub n LYS 388 Cb 0.36 -3.13 -0.03 0.00 0.00 0.00 0.00 35.03 32.23 2nub n LYS 388 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2nub s ILE 389 N 6.64 3.34 -0.10 3.15 1.01 -1.26 -2.45 121.20 131.53 2nub s ILE 389 Ca 0.96 1.20 -0.06 0.00 0.00 0.00 0.00 60.65 62.76 2nub s ILE 389 Cb -0.39 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2nub s ILE 389 CO 0.39 0.18 -0.14 0.29 0.00 0.00 0.00 174.94 175.66 2nub n LYS 390 N 0.52 0.23 -3.99 2.79 4.01 -0.24 -4.81 118.16 116.67 2nub n LYS 390 Ca 0.02 0.10 -0.13 0.00 -0.51 0.00 0.00 58.31 57.79 2nub n LYS 390 Cb 0.46 -0.88 -0.14 0.00 -0.51 0.00 0.00 35.03 33.96 2nub n LYS 390 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2nub s GLY 391 N -5.09 0.13 -0.06 0.72 0.00 -1.25 -5.03 107.32 96.74 2nub s GLY 391 Ca -0.15 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.44 2nub s GLY 391 CO 0.19 -0.14 -0.12 1.25 0.00 0.00 0.00 173.10 174.28 2nub s LYS 392 N -0.20 2.68 -0.33 2.90 2.20 -1.26 -0.34 119.74 125.38 2nub s LYS 392 Ca -0.01 -0.64 -0.01 0.00 -0.36 0.00 0.00 55.97 54.95 2nub s LYS 392 Cb -0.02 -2.48 0.13 0.00 -1.51 0.00 0.00 37.83 33.95 2nub s LYS 392 CO -0.00 0.59 0.20 0.45 -0.36 0.00 0.00 175.35 176.23 2nub s SER 393 N -0.64 3.02 0.03 1.43 0.15 0.18 -4.95 113.70 112.92 2nub s SER 393 Ca 0.09 -1.86 -0.28 0.00 0.70 0.00 0.00 55.95 54.60 2nub s SER 393 Cb -0.11 -0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 63.84 2nub s SER 393 CO 0.01 -0.35 0.90 -0.22 1.20 0.00 0.00 173.24 174.79 2nub s LEU 394 N 1.42 4.41 -0.07 3.45 2.96 -1.26 -1.50 118.68 128.10 2nub s LEU 394 Ca 0.15 1.60 0.04 0.00 -0.22 0.00 0.00 54.13 55.70 2nub s LEU 394 Cb -0.20 -3.45 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2nub s LEU 394 CO -0.11 -0.14 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.97 2nub s ILE 395 N 0.52 1.58 0.02 6.68 1.01 0.31 -4.93 121.20 126.38 2nub s ILE 395 Ca 0.46 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.39 2nub s ILE 395 Cb -0.21 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2nub s ILE 395 CO 0.26 0.45 -0.06 -0.76 0.00 0.00 0.00 174.94 174.83 2nub s LEU 396 N 0.34 3.19 -0.30 2.97 1.43 -1.26 -0.84 118.68 124.21 2nub s LEU 396 Ca -0.12 -0.16 -0.36 0.00 -1.03 0.00 0.00 54.13 52.45 2nub s LEU 396 Cb -0.15 -1.85 0.17 0.00 0.03 0.00 0.00 46.19 44.39 2nub s LEU 396 CO 0.05 0.27 1.39 0.00 0.23 0.00 0.00 176.35 178.29 2nub s ALA 397 N -1.04 -2.19 -0.43 4.21 0.00 -1.16 -4.92 121.76 116.23 2nub s ALA 397 Ca 0.18 1.93 0.07 0.00 0.00 0.00 0.00 51.96 54.14 2nub s ALA 397 Cb -0.11 -0.76 0.25 0.00 0.00 0.00 0.00 23.12 22.49 2nub s ALA 397 CO 0.09 -0.45 0.67 0.94 0.00 0.00 0.00 175.76 177.01 2nub n GLN 398 N 0.14 0.74 0.00 0.00 -0.06 -1.26 -3.85 117.38 113.09 2nub n GLN 398 Ca 0.04 -2.60 0.00 0.00 -2.00 0.00 0.00 57.00 52.44 2nub n GLN 398 Cb 0.57 -1.32 0.00 0.00 -4.06 0.00 0.00 30.24 25.43 2nub n GLN 398 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2nub n THR 399 N 1.52 0.00 -2.00 1.69 5.66 -1.26 -4.92 114.28 114.97 2nub n THR 399 Ca 0.16 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.13 2nub n THR 399 Cb 0.57 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.32 2nub n THR 399 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2nub n ARG 400 N 0.00 0.00 0.18 1.09 3.00 -1.26 -4.78 116.66 114.88 2nub n ARG 400 Ca 0.00 -0.45 0.13 0.00 -0.00 0.00 0.00 57.85 57.53 2nub n ARG 400 Cb 0.00 0.23 0.37 0.00 0.00 0.00 0.00 32.46 33.06 2nub n ARG 400 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 2nub h GLU 401 N 0.00 0.00 -0.13 -0.14 4.11 -1.96 -2.83 114.58 113.63 2nub h GLU 401 Ca -0.26 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.20 2nub h GLU 401 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2nub h GLU 401 CO -0.13 0.00 -0.05 0.93 0.07 0.00 0.00 179.01 179.83 2nub h GLU 402 N 0.00 -0.02 -0.31 1.06 3.07 -1.91 3.13 114.58 119.59 2nub h GLU 402 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 2nub h GLU 402 Cb 0.75 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.61 2nub h GLU 402 CO 0.00 -0.02 -0.08 0.00 -1.40 0.00 0.00 179.01 177.51 2nub h ALA 403 N 1.10 0.20 0.00 3.43 0.00 -1.88 2.43 119.26 124.55 2nub h ALA 403 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2nub h ALA 403 Cb 0.13 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2nub h ALA 403 CO -0.15 -0.46 0.00 1.17 0.00 0.00 0.00 179.25 179.80 2nub n LYS 404 N -5.26 0.13 -0.00 0.00 3.00 0.09 -0.32 118.16 115.79 2nub n LYS 404 Ca 0.00 0.39 0.04 0.00 -0.00 0.00 0.00 58.31 58.74 2nub n LYS 404 Cb 0.18 -1.76 -0.06 0.00 0.00 0.00 0.00 35.03 33.40 2nub n LYS 404 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2nub n GLU 405 N -2.00 0.99 -0.02 1.64 2.13 1.02 -4.52 120.64 119.88 2nub n GLU 405 Ca 0.02 -0.06 0.01 0.00 0.66 0.00 0.00 57.16 57.80 2nub n GLU 405 Cb 0.19 -1.12 -0.14 0.00 0.27 0.00 0.00 31.44 30.65 2nub n GLU 405 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2nub n LYS 406 N -1.66 0.66 0.00 5.31 4.81 0.79 -3.97 118.16 124.10 2nub n LYS 406 Ca -0.01 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2nub n LYS 406 Cb 0.18 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.62 2nub n LYS 406 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2nub n LEU 407 N -2.60 0.00 -0.02 3.14 7.94 0.56 -2.03 117.00 124.00 2nub n LEU 407 Ca -0.15 0.14 -0.02 0.00 -1.11 0.00 0.00 56.01 54.87 2nub n LEU 407 Cb 0.83 -0.14 -0.01 0.00 0.53 0.00 0.00 43.42 44.63 2nub n LEU 407 CO 0.44 -0.14 -0.19 -0.38 -1.11 0.00 0.00 177.39 176.01 2nub n ILE 408 N -1.06 0.64 -0.32 1.96 -0.00 -1.25 -4.01 119.36 115.31 2nub n ILE 408 Ca 0.00 0.28 0.30 0.00 -0.00 0.00 0.00 62.75 63.33 2nub n ILE 408 Cb 0.05 -1.65 0.56 0.00 -0.00 0.00 0.00 39.64 38.61 2nub n ILE 408 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 2nub h PRO 409 N -0.28 0.04 0.00 0.38 0.11 -1.64 0.12 132.00 130.73 2nub h PRO 409 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2nub h PRO 409 Cb 0.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2nub h PRO 409 CO 0.00 0.02 0.00 0.28 -0.21 0.00 0.00 178.00 178.09 2nub n VAL 410 N -5.25 0.00 0.12 3.15 0.31 -0.86 -3.38 118.33 112.42 2nub n VAL 410 Ca 0.36 0.62 0.00 0.00 -0.01 0.00 0.00 64.34 65.32 2nub n VAL 410 Cb 1.22 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 2nub n VAL 410 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2nub n ILE 411 N -0.35 0.01 -0.63 2.52 -5.35 -1.01 -3.85 119.36 110.70 2nub n ILE 411 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2nub n ILE 411 Cb 0.00 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 2nub n ILE 411 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2nub n ASN 412 N 0.47 0.00 0.25 7.28 2.85 0.39 -4.90 115.26 121.60 2nub n ASN 412 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2nub n ASN 412 Cb 0.03 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.05 2nub n ASN 412 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2nub n LYS 413 N 0.00 0.02 -1.93 1.20 4.81 -1.26 -4.06 118.16 116.94 2nub n LYS 413 Ca 0.00 0.71 -0.28 0.00 -0.87 0.00 0.00 58.31 57.88 2nub n LYS 413 Cb 0.00 -2.29 -0.05 0.00 0.02 0.00 0.00 35.03 32.71 2nub n LYS 413 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2nub s ILE 414 N -3.41 3.32 -0.20 3.15 -1.09 -1.25 -4.80 121.20 116.92 2nub s ILE 414 Ca 0.00 -0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 2nub s ILE 414 Cb 0.00 -3.76 0.06 0.00 -1.58 0.00 0.00 42.46 37.18 2nub s ILE 414 CO 0.00 -0.72 -0.02 -0.54 -1.23 0.00 0.00 174.94 172.43 2nub s LYS 415 N 7.42 1.17 0.00 2.79 1.02 -1.26 -4.88 119.74 126.00 2nub s LYS 415 Ca 0.75 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.10 2nub s LYS 415 Cb -0.10 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 2nub s LYS 415 CO 0.07 -0.58 0.00 -0.25 -0.92 0.00 0.00 175.35 173.67 2nub n ASP 416 N 4.87 0.00 -1.07 2.83 9.92 -1.26 -5.05 116.55 126.80 2nub n ASP 416 Ca -0.11 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2nub n ASP 416 Cb 0.46 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 2nub n ASP 416 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2nub n VAL 417 N 1.10 0.00 0.04 2.53 0.24 -1.26 -5.07 118.33 115.90 2nub n VAL 417 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.39 2nub n VAL 417 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 2nub n VAL 417 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2nub n ASP 418 N -2.65 0.45 -3.53 -1.34 10.43 0.79 -4.95 116.55 115.75 2nub n ASP 418 Ca 0.00 0.18 -0.08 0.00 2.57 0.00 0.00 54.79 57.46 2nub n ASP 418 Cb 0.00 1.08 -0.02 0.00 1.84 0.00 0.00 41.12 44.02 2nub n ASP 418 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2nub s LEU 419 N -5.08 -0.33 -0.06 0.64 2.96 -1.16 -4.41 118.68 111.24 2nub s LEU 419 Ca -0.04 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2nub s LEU 419 Cb 0.11 1.97 0.02 0.00 0.50 0.00 0.00 46.19 48.79 2nub s LEU 419 CO 0.84 -0.60 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.53 2nub s VAL 420 N -3.06 0.63 -0.14 1.68 1.01 -0.91 -2.42 120.40 117.19 2nub s VAL 420 Ca 0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 2nub s VAL 420 Cb -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2nub s VAL 420 CO -0.08 0.26 0.05 -0.63 0.00 0.00 0.00 175.10 174.71 2nub s ILE 421 N 1.17 4.72 -0.08 2.22 1.01 0.26 -2.11 121.20 128.38 2nub s ILE 421 Ca -0.07 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2nub s ILE 421 Cb -0.14 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.26 2nub s ILE 421 CO -0.01 0.53 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 2nub s VAL 422 N -0.21 1.59 -0.41 2.92 1.01 0.07 -1.12 120.40 124.25 2nub s VAL 422 Ca 0.07 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2nub s VAL 422 Cb -0.12 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.92 2nub s VAL 422 CO 0.01 0.46 0.26 -0.36 0.00 0.00 0.00 175.10 175.47 2nub s PHE 423 N 0.48 3.30 0.01 5.22 0.08 -0.62 0.15 117.98 126.59 2nub s PHE 423 Ca -0.16 -1.30 -0.03 0.00 0.12 0.00 0.00 56.93 55.56 2nub s PHE 423 Cb -0.17 -2.83 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 2nub s PHE 423 CO 0.06 -0.79 0.21 -0.51 -0.10 0.00 0.00 175.22 174.09 2nub s LEU 424 N 1.49 4.37 0.14 -0.37 1.43 -0.51 -1.44 118.68 123.78 2nub s LEU 424 Ca 0.03 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 2nub s LEU 424 Cb -0.22 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 2nub s LEU 424 CO 0.04 0.24 0.13 -0.70 0.23 0.00 0.00 176.35 176.29 2nub s GLU 425 N -2.00 2.92 -0.05 1.70 2.56 -1.25 -0.15 118.70 122.43 2nub s GLU 425 Ca 0.29 -0.81 0.06 0.00 0.00 0.00 0.00 54.97 54.50 2nub s GLU 425 Cb -0.13 -2.68 -0.02 0.00 2.00 0.00 0.00 34.13 33.30 2nub s GLU 425 CO 0.20 0.51 -0.22 -1.21 -0.56 0.00 0.00 175.26 173.97 2nub s GLU 426 N -2.94 2.43 0.15 4.30 2.02 -1.26 -4.94 118.70 118.45 2nub s GLU 426 Ca 0.31 -0.85 0.09 0.00 0.02 0.00 0.00 54.97 54.53 2nub s GLU 426 Cb -0.11 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 2nub s GLU 426 CO 0.23 0.49 -0.14 0.71 0.02 0.00 0.00 175.26 176.58 2nub s TYR 427 N -0.43 2.59 -0.60 1.61 1.51 -1.26 -5.09 117.35 115.68 2nub s TYR 427 Ca 0.05 -0.23 -0.25 0.00 -1.01 0.00 0.00 57.07 55.62 2nub s TYR 427 Cb -0.12 -1.32 0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2nub s TYR 427 CO 0.01 0.45 1.02 -1.25 -1.11 0.00 0.00 175.55 174.68 2nub s PRO 428 N -2.48 3.29 0.00 -1.71 0.04 -1.26 -4.86 135.00 128.02 2nub s PRO 428 Ca 0.22 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2nub s PRO 428 Cb -0.10 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2nub s PRO 428 CO 0.13 -1.67 0.00 1.17 0.04 0.00 0.00 177.00 176.67 2nub n LYS 429 N 7.89 0.00 0.00 4.56 4.81 -1.26 -5.12 118.16 129.04 2nub n LYS 429 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2nub n LYS 429 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 2nub n LYS 429 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2nub n VAL 430 N 0.00 0.00 -2.92 3.15 0.31 -1.26 -4.99 118.33 112.62 2nub n VAL 430 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 2nub n VAL 430 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 2nub n VAL 430 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2nub s ASP 431 N 0.00 6.40 0.42 4.52 -1.08 -1.26 -4.89 116.67 120.79 2nub s ASP 431 Ca 0.00 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.87 2nub s ASP 431 Cb 0.00 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 2nub s ASP 431 CO 0.00 -1.00 0.78 -2.65 0.52 0.00 0.00 175.17 172.82 2nub n PRO 432 N 6.92 0.02 0.00 4.34 -0.02 -1.26 -2.83 135.00 142.17 2nub n PRO 432 Ca 0.02 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2nub n PRO 432 Cb 0.48 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2nub n PRO 432 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2nub n TYR 433 N -1.91 0.00 -3.83 6.00 4.02 -1.26 -4.99 117.16 115.20 2nub n TYR 433 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 2nub n TYR 433 Cb 0.78 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.06 2nub n TYR 433 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2nub s LYS 434 N -1.21 3.51 -0.44 -0.72 2.20 -1.13 -4.65 119.74 117.31 2nub s LYS 434 Ca 0.00 -0.27 -0.22 0.00 -0.36 0.00 0.00 55.97 55.12 2nub s LYS 434 Cb 0.00 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2nub s LYS 434 CO 0.00 0.59 0.71 -1.54 -0.36 0.00 0.00 175.35 174.75 2nub s SER 435 N -2.27 6.37 -0.03 1.43 1.04 -1.25 -4.09 113.70 114.91 2nub s SER 435 Ca 0.34 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.58 2nub s SER 435 Cb -0.13 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.66 2nub s SER 435 CO 0.24 -0.83 -0.01 0.12 0.98 0.00 0.00 173.24 173.73 2nub s PHE 436 N 3.04 0.39 -0.29 5.02 5.99 -1.26 -5.03 117.98 125.85 2nub s PHE 436 Ca 0.26 -0.04 -0.17 0.00 0.00 0.00 0.00 56.93 56.98 2nub s PHE 436 Cb -0.13 -0.44 0.12 0.00 0.00 0.00 0.00 43.02 42.57 2nub s PHE 436 CO 0.20 -0.13 0.89 -0.48 -0.00 0.00 0.00 175.22 175.70 2nub s LEU 437 N 0.93 -0.63 0.44 6.12 2.34 -1.26 -4.81 118.68 121.82 2nub s LEU 437 Ca -0.10 1.03 0.26 0.00 0.06 0.00 0.00 54.13 55.38 2nub s LEU 437 Cb -0.13 1.95 1.30 0.00 -0.56 0.00 0.00 46.19 48.75 2nub s LEU 437 CO -0.01 -0.16 1.74 -0.07 -1.06 0.00 0.00 176.35 176.78 2nub h LEU 438 N 6.19 0.28 0.00 1.48 3.38 -1.98 -0.56 115.31 124.11 2nub h LEU 438 Ca -0.29 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2nub h LEU 438 Cb 1.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2nub h LEU 438 CO 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.71 2nub n TYR 439 N -4.52 0.00 -0.29 1.13 9.36 -1.26 0.13 117.16 121.71 2nub n TYR 439 Ca 0.29 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.60 2nub n TYR 439 Cb 1.13 -0.47 0.25 0.00 -0.63 0.00 0.00 39.34 39.62 2nub n TYR 439 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2nub h ASP 440 N 0.00 0.39 0.18 2.98 3.32 -1.88 -1.42 116.42 119.98 2nub h ASP 440 Ca 0.00 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2nub h ASP 440 Cb 0.00 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2nub h ASP 440 CO 0.00 0.10 -0.13 0.15 -1.72 0.00 0.00 179.24 177.64 2nub h PHE 441 N 0.49 -0.35 -0.61 4.55 3.57 -0.82 -0.89 116.94 122.88 2nub h PHE 441 Ca 0.49 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.09 2nub h PHE 441 Cb 0.82 0.13 -0.11 0.00 2.79 0.00 0.00 35.95 39.58 2nub h PHE 441 CO -0.13 -0.19 -0.40 0.28 -2.23 0.00 0.00 178.31 175.65 2nub h VAL 442 N -0.30 0.11 -0.21 1.41 2.07 -0.02 -1.51 116.25 117.81 2nub h VAL 442 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2nub h VAL 442 Cb 0.24 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 2nub h VAL 442 CO 0.01 0.00 -0.36 0.11 0.02 0.00 0.00 177.57 177.35 2nub h LYS 443 N -0.19 -0.38 -0.85 1.57 1.79 -1.23 -1.53 116.57 115.76 2nub h LYS 443 Ca 0.21 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.72 2nub h LYS 443 Cb 0.56 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.25 2nub h LYS 443 CO -0.70 -0.25 0.56 -0.09 -1.08 0.00 0.00 179.45 177.89 2nub h ARG 444 N -0.39 1.10 0.00 3.15 2.43 -0.75 -0.38 114.38 119.54 2nub h ARG 444 Ca 0.11 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2nub h ARG 444 Cb 0.57 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2nub h ARG 444 CO -0.43 0.73 -0.20 0.93 -1.51 0.00 0.00 179.97 179.49 2nub h GLU 445 N 1.13 0.00 0.00 0.20 4.39 -0.78 -1.99 114.58 117.53 2nub h GLU 445 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2nub h GLU 445 Cb -0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2nub h GLU 445 CO -0.08 0.20 -1.01 1.28 -1.16 0.00 0.00 179.01 178.24 2nub n LEU 446 N -3.72 0.76 -0.07 1.33 4.77 -0.62 -2.84 117.00 116.62 2nub n LEU 446 Ca -0.01 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 2nub n LEU 446 Cb 0.31 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2nub n LEU 446 CO 0.33 -0.14 0.53 -0.07 -1.33 0.00 0.00 177.39 176.71 2nub h LEU 447 N 0.00 0.62 -0.73 2.23 3.38 -0.38 0.53 115.31 120.96 2nub h LEU 447 Ca 0.00 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 2nub h LEU 447 Cb 0.94 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2nub h LEU 447 CO 0.00 1.01 0.19 0.11 0.09 0.00 0.00 178.44 179.85 2nub h LYS 448 N 0.24 1.16 0.00 1.13 1.57 -1.50 0.61 116.57 119.77 2nub h LYS 448 Ca 0.02 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2nub h LYS 448 Cb 0.88 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2nub h LYS 448 CO 0.07 1.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.58 2nub n LYS 449 N -4.23 0.30 -3.85 3.15 4.01 -1.13 -4.90 118.16 111.52 2nub n LYS 449 Ca 0.06 0.09 -0.37 0.00 -0.51 0.00 0.00 58.31 57.57 2nub n LYS 449 Cb 0.25 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.30 2nub n LYS 449 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2nub n MET 450 N -1.28 -0.92 -4.52 1.97 2.81 0.21 -4.95 117.12 110.44 2nub n MET 450 Ca 0.10 0.31 -0.23 0.00 -1.81 0.00 0.00 57.70 56.06 2nub n MET 450 Cb 0.16 -3.53 -0.16 0.00 -0.71 0.00 0.00 33.22 28.98 2nub n MET 450 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2nub s ILE 451 N -3.51 1.02 0.25 2.02 1.01 -0.02 -5.02 121.20 116.93 2nub s ILE 451 Ca 0.46 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 2nub s ILE 451 Cb -0.20 -0.92 -0.09 0.00 0.01 0.00 0.00 42.46 41.25 2nub s ILE 451 CO 0.91 0.32 1.31 -2.16 0.00 0.00 0.00 174.94 175.32 2nub s PRO 452 N 0.50 4.38 0.05 2.79 0.04 -1.26 -4.58 135.00 136.92 2nub s PRO 452 Ca -0.10 2.11 0.03 0.00 0.04 0.00 0.00 61.00 63.08 2nub s PRO 452 Cb -0.13 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2nub s PRO 452 CO 0.02 -0.22 -0.09 -1.54 0.04 0.00 0.00 177.00 175.21 2nub s SER 453 N 0.01 1.08 -0.25 6.66 1.04 -1.26 -2.15 113.70 118.82 2nub s SER 453 Ca 0.54 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2nub s SER 453 Cb -0.38 0.01 0.07 0.00 0.10 0.00 0.00 66.02 65.83 2nub s SER 453 CO 0.43 -0.17 -0.00 -1.58 0.98 0.00 0.00 173.24 172.89 2nub s GLN 454 N -1.66 1.30 -0.20 4.02 2.00 -0.90 -4.99 119.66 119.23 2nub s GLN 454 Ca -0.07 -1.00 -0.19 0.00 -2.00 0.00 0.00 55.36 52.09 2nub s GLN 454 Cb -0.10 -2.47 -0.03 0.00 0.80 0.00 0.00 33.01 31.21 2nub s GLN 454 CO 0.01 -0.70 0.57 0.08 -0.50 0.00 0.00 175.29 174.74 2nub s VAL 455 N 1.46 5.07 -0.26 1.34 1.01 -1.26 -0.75 120.40 127.00 2nub s VAL 455 Ca -0.01 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2nub s VAL 455 Cb -0.18 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2nub s VAL 455 CO -0.10 0.14 -0.09 -0.63 0.00 0.00 0.00 175.10 174.42 2nub s ILE 456 N 1.78 2.35 0.14 2.22 1.01 0.38 -4.95 121.20 124.14 2nub s ILE 456 Ca 0.26 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.09 2nub s ILE 456 Cb -0.16 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 2nub s ILE 456 CO 0.10 0.01 1.21 -0.76 0.00 0.00 0.00 174.94 175.49 2nub s LEU 457 N 1.15 4.42 0.51 2.97 1.43 -1.26 -1.43 118.68 126.48 2nub s LEU 457 Ca -0.07 2.17 0.23 0.00 -1.03 0.00 0.00 54.13 55.43 2nub s LEU 457 Cb -0.19 -3.60 1.38 0.00 0.03 0.00 0.00 46.19 43.81 2nub s LEU 457 CO -0.05 -0.42 2.09 0.78 0.23 0.00 0.00 176.35 178.99 2nub h ASN 458 N 5.85 0.00 -0.46 2.29 2.35 -0.88 -0.17 115.58 124.56 2nub h ASN 458 Ca -0.43 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.31 2nub h ASN 458 Cb 1.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 2nub h ASN 458 CO 0.77 0.11 0.27 -0.09 -1.65 0.00 0.00 177.43 176.84 2nub h ARG 459 N 0.00 0.65 -0.14 0.81 2.43 -1.91 -1.93 114.38 114.30 2nub h ARG 459 Ca -0.00 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.91 2nub h ARG 459 Cb 0.24 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2nub h ARG 459 CO 0.01 0.48 -0.72 1.15 -1.51 0.00 0.00 179.97 179.38 2nub h THR 460 N 0.67 1.32 0.00 0.20 2.02 -1.41 -2.92 112.91 112.78 2nub h THR 460 Ca 0.17 -2.01 -0.07 0.00 0.77 0.00 0.00 66.41 65.27 2nub h THR 460 Cb 0.00 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2nub h THR 460 CO -0.03 0.62 -0.35 -0.07 0.37 0.00 0.00 175.52 176.06 2nub h LEU 461 N 0.43 0.00 0.15 2.58 3.38 -1.21 -1.55 115.31 119.09 2nub h LEU 461 Ca -0.03 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.64 2nub h LEU 461 Cb 1.32 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.09 2nub h LEU 461 CO 0.14 0.35 -1.31 0.11 0.09 0.00 0.00 178.44 177.82 2nub h LYS 462 N 0.00 0.43 0.00 1.13 1.57 -1.33 -3.41 116.57 114.96 2nub h LYS 462 Ca -0.00 -0.68 -0.06 0.00 -1.87 0.00 0.00 60.65 58.04 2nub h LYS 462 Cb 0.75 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2nub h LYS 462 CO 0.05 1.31 -1.60 0.09 -0.57 0.00 0.00 179.45 178.72 2nub n ASN 463 N -3.65 2.28 -2.15 0.86 5.03 -1.11 -5.05 115.26 111.48 2nub n ASN 463 Ca -0.12 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.31 2nub n ASN 463 Cb 1.03 1.33 0.01 0.00 -1.02 0.00 0.00 39.78 41.14 2nub n ASN 463 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2nub n GLU 464 N -2.05 0.04 -3.36 3.52 -0.58 -0.59 -5.03 120.64 112.59 2nub n GLU 464 Ca -0.07 -0.16 -0.43 0.00 -0.42 0.00 0.00 57.16 56.09 2nub n GLU 464 Cb 0.46 -0.09 -0.09 0.00 -0.57 0.00 0.00 31.44 31.15 2nub n GLU 464 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2nub s ASN 465 N -1.34 6.17 0.61 1.62 -0.87 -1.26 -4.94 114.94 114.93 2nub s ASN 465 Ca 0.05 -0.78 0.25 0.00 -1.57 0.00 0.00 52.86 50.82 2nub s ASN 465 Cb -0.00 -2.20 1.07 0.00 -0.02 0.00 0.00 41.25 40.10 2nub s ASN 465 CO 0.04 -0.55 1.52 0.25 -2.57 0.00 0.00 177.10 175.79 2nub h LEU 466 N 8.92 0.00 0.20 0.60 5.85 -1.92 0.23 115.31 129.20 2nub h LEU 466 Ca -0.27 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.13 2nub h LEU 466 Cb 1.11 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.16 2nub h LEU 466 CO 0.78 0.00 -1.56 0.50 -0.34 0.00 0.00 178.44 177.82 2nub h LYS 467 N 0.00 0.43 0.00 1.25 3.64 -1.98 -0.17 116.57 119.74 2nub h LYS 467 Ca 0.31 -0.73 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2nub h LYS 467 Cb 2.06 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 34.16 2nub h LYS 467 CO -0.00 1.35 0.00 0.74 -2.27 0.00 0.00 179.45 179.27 2nub h PHE 468 N 0.05 0.00 0.06 1.91 -1.00 -1.05 -2.68 116.94 114.23 2nub h PHE 468 Ca -0.30 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.22 2nub h PHE 468 Cb 2.06 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.60 2nub h PHE 468 CO 0.12 0.00 -1.41 0.28 -1.61 0.00 0.00 178.31 175.69 2nub h VAL 469 N 0.00 0.91 -0.86 -0.55 2.07 -1.09 -2.56 116.25 114.18 2nub h VAL 469 Ca 0.00 -2.27 0.20 0.00 0.82 0.00 0.00 66.70 65.44 2nub h VAL 469 Cb 0.69 2.45 -0.12 0.00 -1.52 0.00 0.00 31.29 32.79 2nub h VAL 469 CO 0.00 0.55 0.35 0.25 0.02 0.00 0.00 177.57 178.74 2nub h LEU 470 N -0.59 0.29 0.25 2.57 5.85 -0.96 0.11 115.31 122.84 2nub h LEU 470 Ca -0.34 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2nub h LEU 470 Cb 1.56 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.72 2nub h LEU 470 CO -0.07 0.03 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.86 2nub h LEU 471 N 0.41 -0.29 -1.44 2.25 3.38 -1.60 -1.91 115.31 116.10 2nub h LEU 471 Ca 0.51 -0.24 0.36 0.00 0.09 0.00 0.00 57.88 58.61 2nub h LEU 471 Cb 0.92 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 2nub h LEU 471 CO -0.50 0.13 0.78 -1.13 0.09 0.00 0.00 178.44 177.82 2nub h ASN 472 N -0.77 0.31 0.00 -0.43 -0.73 -0.65 -1.63 115.58 111.68 2nub h ASN 472 Ca -0.03 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2nub h ASN 472 Cb 0.50 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.16 2nub h ASN 472 CO 0.06 -0.05 -0.17 0.58 -0.37 0.00 0.00 177.43 177.48 2nub h VAL 473 N 0.21 0.00 -0.49 2.57 2.07 -0.87 -3.30 116.25 116.43 2nub h VAL 473 Ca 0.70 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2nub h VAL 473 Cb 2.11 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.79 2nub h VAL 473 CO -0.33 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.11 2nub n ALA 474 N -2.88 0.04 -0.07 1.67 0.00 -0.72 0.27 120.51 118.82 2nub n ALA 474 Ca -0.02 0.52 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 2nub n ALA 474 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 2nub n ALA 474 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2nub h GLU 475 N 0.00 0.36 0.57 0.00 4.81 -1.49 0.24 114.58 119.08 2nub h GLU 475 Ca 0.21 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2nub h GLU 475 Cb 0.33 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.64 2nub h GLU 475 CO -0.50 0.24 -0.28 1.96 -0.73 0.00 0.00 179.01 179.71 2nub h GLN 476 N 0.36 -0.74 0.04 1.92 1.08 0.37 -2.98 115.11 115.15 2nub h GLN 476 Ca 0.10 0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 2nub h GLN 476 Cb -0.03 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 2nub h GLN 476 CO -0.02 -0.50 -0.33 0.28 -0.95 0.00 0.00 178.83 177.31 2nub h VAL 477 N -0.77 0.29 -0.64 -0.54 2.07 -0.42 -1.75 116.25 114.48 2nub h VAL 477 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 2nub h VAL 477 Cb 0.59 0.29 -0.11 0.00 -1.52 0.00 0.00 31.29 30.54 2nub h VAL 477 CO 0.13 0.00 -0.44 -0.07 0.02 0.00 0.00 177.57 177.21 2nub h LEU 478 N -0.50 -1.52 0.54 2.57 3.38 -0.54 -2.12 115.31 117.11 2nub h LEU 478 Ca 0.05 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2nub h LEU 478 Cb 0.57 0.70 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 2nub h LEU 478 CO -0.25 -0.32 -0.47 0.00 0.09 0.00 0.00 178.44 177.49 2nub h ALA 479 N 0.69 -1.08 -0.25 1.53 0.00 -1.33 -1.43 119.26 117.39 2nub h ALA 479 Ca 0.19 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2nub h ALA 479 Cb 0.56 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2nub h ALA 479 CO -0.73 -1.14 0.66 0.87 0.00 0.00 0.00 179.25 178.90 2nub h LYS 480 N -0.99 0.00 -0.35 0.00 1.57 -0.90 -0.86 116.57 115.04 2nub h LYS 480 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2nub h LYS 480 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2nub h LYS 480 CO -0.03 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.10 2nub n THR 481 N -3.03 1.59 -1.18 -0.16 -2.24 -0.83 -4.08 114.28 104.35 2nub n THR 481 Ca 0.04 -1.36 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 2nub n THR 481 Cb 0.76 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 2nub n THR 481 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nub n GLY 482 N 0.20 0.40 2.50 3.38 0.00 -0.33 -4.77 105.19 106.57 2nub n GLY 482 Ca 0.17 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 2nub n GLY 482 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nub n ASN 483 N 1.94 2.51 -4.72 1.61 3.02 -0.60 -4.03 115.26 114.99 2nub n ASN 483 Ca 0.00 -3.28 -0.43 0.00 -0.03 0.00 0.00 54.58 50.84 2nub n ASN 483 Cb 0.10 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 2nub n ASN 483 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2nub n ILE 484 N 0.31 0.49 0.41 2.41 -5.35 -1.25 -3.85 119.36 112.52 2nub n ILE 484 Ca 0.27 -0.12 0.13 0.00 -0.27 0.00 0.00 62.75 62.76 2nub n ILE 484 Cb 0.51 -1.89 0.49 0.00 -1.74 0.00 0.00 39.64 37.01 2nub n ILE 484 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2nub h PRO 485 N 5.68 0.00 -1.85 6.28 0.13 -1.89 0.10 132.00 140.46 2nub h PRO 485 Ca -0.45 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.96 2nub h PRO 485 Cb 1.22 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 2nub h PRO 485 CO 0.87 0.00 0.75 1.52 -0.23 0.00 0.00 178.00 180.91 2nub s TYR 486 N -3.33 -0.03 0.23 1.56 -0.85 -1.26 -4.27 117.35 109.39 2nub s TYR 486 Ca 0.05 -0.14 -0.14 0.00 -0.52 0.00 0.00 57.07 56.32 2nub s TYR 486 Cb 0.10 0.58 0.00 0.00 0.38 0.00 0.00 41.96 43.02 2nub s TYR 486 CO 0.48 -0.45 0.49 -1.59 -1.52 0.00 0.00 175.55 172.95 2nub s LYS 487 N -2.50 1.49 0.45 -3.49 -2.85 -0.43 -4.92 119.74 107.50 2nub s LYS 487 Ca 0.17 -1.13 -0.24 0.00 -1.00 0.00 0.00 55.97 53.77 2nub s LYS 487 Cb 0.02 0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 36.20 2nub s LYS 487 CO -0.01 -0.62 1.31 -0.51 0.10 0.00 0.00 175.35 175.62 2nub s LEU 488 N -2.97 4.09 0.26 2.77 1.43 -1.02 -0.36 118.68 122.88 2nub s LEU 488 Ca 0.18 2.66 0.09 0.00 -1.03 0.00 0.00 54.13 56.02 2nub s LEU 488 Cb -0.01 -4.04 0.33 0.00 0.03 0.00 0.00 46.19 42.50 2nub s LEU 488 CO 0.05 -1.06 1.60 0.50 0.23 0.00 0.00 176.35 177.67 2nub h LYS 489 N 2.27 0.07 -1.17 1.70 3.64 -0.73 -3.44 116.57 118.91 2nub h LYS 489 Ca -0.50 -0.05 0.34 0.00 -1.27 0.00 0.00 60.65 59.16 2nub h LYS 489 Cb 1.26 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.91 2nub h LYS 489 CO 0.61 0.66 0.93 -1.83 -2.27 0.00 0.00 179.45 177.55 2nub s GLU 490 N -3.66 0.12 0.05 1.90 -1.05 -1.26 -5.05 118.70 109.75 2nub s GLU 490 Ca -0.02 -0.06 0.05 0.00 -0.15 0.00 0.00 54.97 54.79 2nub s GLU 490 Cb 0.12 0.05 -0.02 0.00 -0.44 0.00 0.00 34.13 33.84 2nub s GLU 490 CO 0.77 -0.06 -0.15 0.42 0.95 0.00 0.00 175.26 177.20 2nub s ILE 491 N -2.15 1.18 0.02 1.83 1.01 -1.26 -4.80 121.20 117.03 2nub s ILE 491 Ca 0.13 -1.08 -0.32 0.00 0.00 0.00 0.00 60.65 59.38 2nub s ILE 491 Cb 0.02 -1.07 -0.10 0.00 0.01 0.00 0.00 42.46 41.31 2nub s ILE 491 CO -0.04 -0.01 1.90 1.21 0.00 0.00 0.00 174.94 178.00 2nub n GLU 492 N 1.78 2.60 0.00 2.79 2.13 -1.26 -4.73 120.64 123.96 2nub n GLU 492 Ca -0.18 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.59 2nub n GLU 492 Cb 0.54 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.40 2nub n GLU 492 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nub n GLY 493 N 4.39 1.38 3.46 8.31 0.00 -1.26 -4.77 105.19 116.70 2nub n GLY 493 Ca 0.20 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 2nub n GLY 493 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nub s LYS 494 N -3.56 3.15 0.02 1.61 0.00 -1.26 -5.00 119.74 114.70 2nub s LYS 494 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 55.97 55.29 2nub s LYS 494 Cb 0.00 -4.19 -0.02 0.00 0.00 0.00 0.00 37.83 33.63 2nub s LYS 494 CO 0.00 -1.71 -0.15 0.08 0.00 0.00 0.00 175.35 173.57 2nub s VAL 495 N 3.94 1.19 -0.12 1.79 1.01 -1.26 -4.85 120.40 122.10 2nub s VAL 495 Ca 0.23 -0.86 0.20 0.00 0.00 0.00 0.00 61.98 61.55 2nub s VAL 495 Cb -0.16 -1.04 -0.21 0.00 0.00 0.00 0.00 36.38 34.97 2nub s VAL 495 CO 0.12 0.16 0.59 0.47 0.00 0.00 0.00 175.10 176.44 2nub n ASP 496 N 2.24 0.36 -3.51 3.32 8.00 -0.10 -4.48 116.55 122.39 2nub n ASP 496 Ca -0.16 0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 2nub n ASP 496 Cb 0.55 1.10 -0.04 0.00 -0.02 0.00 0.00 41.12 42.70 2nub n ASP 496 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nub s ALA 497 N -3.17 -1.78 -0.21 2.24 0.00 -1.12 -3.48 121.76 114.24 2nub s ALA 497 Ca -0.06 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2nub s ALA 497 Cb 0.10 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.42 2nub s ALA 497 CO 0.85 -0.53 -0.11 -0.06 0.00 0.00 0.00 175.76 175.91 2nub s PHE 498 N -2.25 2.64 -0.13 0.00 0.40 -0.39 -1.77 117.98 116.49 2nub s PHE 498 Ca -0.02 -1.77 -0.06 0.00 -0.60 0.00 0.00 56.93 54.48 2nub s PHE 498 Cb -0.01 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 2nub s PHE 498 CO -0.02 -0.78 0.09 0.08 0.70 0.00 0.00 175.22 175.29 2nub s VAL 499 N 1.32 5.08 -0.16 -0.44 1.01 0.12 -1.27 120.40 126.06 2nub s VAL 499 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2nub s VAL 499 Cb -0.17 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.03 2nub s VAL 499 CO -0.08 0.58 -0.10 -0.83 0.00 0.00 0.00 175.10 174.67 2nub s GLY 500 N -0.65 1.05 0.09 4.51 0.00 -0.00 0.12 107.32 112.43 2nub s GLY 500 Ca 0.12 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 44.02 2nub s GLY 500 CO 0.02 0.73 -0.16 -0.26 0.00 0.00 0.00 173.10 173.44 2nub s ILE 501 N 1.55 1.30 -0.06 0.90 -5.25 -0.47 -1.33 121.20 117.84 2nub s ILE 501 Ca 0.02 -1.42 -0.03 0.00 -0.99 0.00 0.00 60.65 58.24 2nub s ILE 501 Cb -0.14 -1.26 0.04 0.00 2.95 0.00 0.00 42.46 44.05 2nub s ILE 501 CO -0.09 -0.21 0.10 -0.62 -1.79 0.00 0.00 174.94 172.34 2nub s ASP 502 N -1.88 0.94 -0.22 4.36 3.68 -0.38 -1.65 116.67 121.52 2nub s ASP 502 Ca 0.02 0.19 -0.04 0.00 2.13 0.00 0.00 52.55 54.85 2nub s ASP 502 Cb -0.09 0.03 -0.00 0.00 -1.45 0.00 0.00 42.92 41.41 2nub s ASP 502 CO 0.03 -0.24 -0.05 -0.63 0.13 0.00 0.00 175.17 174.41 2nub s ILE 503 N 2.18 3.30 -0.11 4.11 1.01 -1.26 -1.23 121.20 129.20 2nub s ILE 503 Ca 0.04 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2nub s ILE 503 Cb -0.12 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.84 2nub s ILE 503 CO -0.04 0.41 -0.23 -0.44 0.00 0.00 0.00 174.94 174.64 2nub s SER 504 N 1.46 3.07 -0.13 3.58 0.01 -0.61 -5.00 113.70 116.09 2nub s SER 504 Ca 0.05 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.76 2nub s SER 504 Cb -0.14 -1.41 -0.00 0.00 0.21 0.00 0.00 66.02 64.67 2nub s SER 504 CO -0.04 0.13 -0.18 0.00 0.41 0.00 0.00 173.24 173.56 2nub s ARG 505 N 0.52 3.19 -0.16 12.44 1.70 -1.26 -1.38 118.95 134.00 2nub s ARG 505 Ca -0.14 -0.79 -0.29 0.00 -0.47 0.00 0.00 55.73 54.03 2nub s ARG 505 Cb -0.17 -2.49 -0.01 0.00 -0.57 0.00 0.00 34.95 31.71 2nub s ARG 505 CO 0.05 0.14 1.23 0.42 -1.08 0.00 0.00 175.30 176.05 2nub s ILE 506 N 0.50 4.32 -0.37 4.99 1.01 -0.95 -4.98 121.20 125.72 2nub s ILE 506 Ca -0.12 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.17 2nub s ILE 506 Cb -0.17 -4.04 0.11 0.00 0.01 0.00 0.00 42.46 38.37 2nub s ILE 506 CO 0.05 -0.12 0.09 -0.89 0.00 0.00 0.00 174.94 174.07 2nub s THR 507 N 3.28 2.28 -0.96 2.92 2.01 -1.26 -3.14 115.64 120.77 2nub s THR 507 Ca 0.54 -2.50 -0.03 0.00 0.31 0.00 0.00 61.69 60.01 2nub s THR 507 Cb -0.21 -2.67 0.26 0.00 0.01 0.00 0.00 72.50 69.88 2nub s THR 507 CO 0.15 -0.64 1.00 0.54 -0.69 0.00 0.00 174.62 174.98 2nub n ARG 508 N 4.06 3.22 -0.02 4.92 1.74 -1.26 -4.50 116.66 124.82 2nub n ARG 508 Ca 0.04 -4.52 0.00 0.00 -0.77 0.00 0.00 57.85 52.61 2nub n ARG 508 Cb 0.40 -2.44 -0.00 0.00 -1.02 0.00 0.00 32.46 29.40 2nub n ARG 508 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2nub n ASP 509 N 1.99 -0.12 0.00 0.55 9.92 -1.26 -4.98 116.55 122.65 2nub n ASP 509 Ca 0.24 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 2nub n ASP 509 Cb 0.37 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 2nub n ASP 509 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2nub n GLY 510 N -1.26 1.07 3.07 0.44 0.00 -1.26 -4.00 105.19 103.26 2nub n GLY 510 Ca 0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 2nub n GLY 510 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nub s LYS 511 N 0.00 2.76 0.55 1.61 2.20 -1.26 -5.05 119.74 120.54 2nub s LYS 511 Ca 0.00 -2.85 0.00 0.00 -0.36 0.00 0.00 55.97 52.76 2nub s LYS 511 Cb 0.00 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2nub s LYS 511 CO 0.00 -1.21 0.00 2.41 -0.36 0.00 0.00 175.35 176.19 2nub n THR 512 N 2.96 0.00 0.00 3.43 -1.04 -1.26 -4.82 114.28 113.56 2nub n THR 512 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2nub n THR 512 Cb 0.37 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2nub n THR 512 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2nub n VAL 513 N -0.80 0.00 -4.37 12.58 0.31 -1.19 -4.64 118.33 120.23 2nub n VAL 513 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 2nub n VAL 513 Cb 0.04 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.88 2nub n VAL 513 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2nub s ASN 514 N 0.96 1.97 0.37 4.52 4.22 -1.25 -2.62 114.94 123.12 2nub s ASN 514 Ca 0.00 -1.69 -0.14 0.00 -2.14 0.00 0.00 52.86 48.89 2nub s ASN 514 Cb 0.00 0.51 0.05 0.00 1.28 0.00 0.00 41.25 43.09 2nub s ASN 514 CO 0.00 -0.99 0.74 0.00 -2.04 0.00 0.00 177.10 174.82 2nub s ALA 515 N -3.42 -0.56 -0.00 3.54 0.00 -1.19 -2.23 121.76 117.90 2nub s ALA 515 Ca 0.34 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 2nub s ALA 515 Cb 0.03 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2nub s ALA 515 CO 0.21 -0.96 0.13 0.08 0.00 0.00 0.00 175.76 175.22 2nub s VAL 516 N -2.50 0.08 -0.07 0.00 1.01 -0.48 -1.12 120.40 117.32 2nub s VAL 516 Ca 0.17 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 2nub s VAL 516 Cb -0.04 -0.41 0.04 0.00 0.00 0.00 0.00 36.38 35.97 2nub s VAL 516 CO 0.12 -0.35 0.15 0.00 0.00 0.00 0.00 175.10 175.03 2nub s ALA 517 N -1.24 -0.27 -0.13 5.51 0.00 0.12 -1.57 121.76 124.18 2nub s ALA 517 Ca -0.13 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 2nub s ALA 517 Cb -0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2nub s ALA 517 CO 0.01 -0.16 -0.11 0.12 0.00 0.00 0.00 175.76 175.62 2nub s PHE 518 N 1.19 2.86 -0.03 0.00 5.36 -0.37 -1.78 117.98 125.21 2nub s PHE 518 Ca -0.09 -0.54 0.03 0.00 -0.96 0.00 0.00 56.93 55.37 2nub s PHE 518 Cb -0.12 -1.86 -0.00 0.00 -0.34 0.00 0.00 43.02 40.70 2nub s PHE 518 CO -0.06 -0.15 -0.12 0.99 -1.46 0.00 0.00 175.22 174.41 2nub s THR 519 N 0.30 1.04 -0.06 0.12 2.01 0.02 -1.25 115.64 117.82 2nub s THR 519 Ca -0.09 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2nub s THR 519 Cb -0.15 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.48 2nub s THR 519 CO 0.05 0.31 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.66 2nub s LYS 520 N 0.03 1.38 -0.16 4.92 1.02 -0.44 0.30 119.74 126.79 2nub s LYS 520 Ca -0.01 -0.28 -0.00 0.00 0.02 0.00 0.00 55.97 55.69 2nub s LYS 520 Cb -0.09 -1.24 -0.00 0.00 -0.52 0.00 0.00 37.83 35.98 2nub s LYS 520 CO 0.01 -0.05 -0.14 0.42 -0.92 0.00 0.00 175.35 174.67 2nub s ILE 521 N 0.90 2.82 0.22 2.17 1.01 0.85 -0.82 121.20 128.35 2nub s ILE 521 Ca -0.11 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 59.93 2nub s ILE 521 Cb -0.15 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2nub s ILE 521 CO 0.01 0.51 -0.14 -0.36 0.00 0.00 0.00 174.94 174.96 2nub s PHE 522 N 0.79 2.48 0.00 3.97 0.40 -0.40 0.49 117.98 125.71 2nub s PHE 522 Ca -0.05 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2nub s PHE 522 Cb -0.15 -1.16 0.00 0.00 0.51 0.00 0.00 43.02 42.21 2nub s PHE 522 CO 0.01 0.58 0.00 0.27 0.70 0.00 0.00 175.22 176.77 2nub n ASN 523 N -0.22 0.00 0.09 1.36 0.23 -0.08 -1.26 115.26 115.39 2nub n ASN 523 Ca -0.09 -0.73 0.11 0.00 -0.53 0.00 0.00 54.58 53.34 2nub n ASN 523 Cb 0.57 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.72 2nub n ASN 523 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2nub n SER 524 N -2.18 0.51 -1.03 0.53 3.41 -1.23 -2.16 113.62 111.47 2nub n SER 524 Ca 0.00 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 2nub n SER 524 Cb 0.00 -0.73 0.23 0.00 -0.26 0.00 0.00 64.21 63.45 2nub n SER 524 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2nub n LYS 525 N -2.05 2.56 -0.86 4.33 4.76 -1.26 -4.30 118.16 121.33 2nub n LYS 525 Ca 0.03 -2.29 0.00 0.00 -2.87 0.00 0.00 58.31 53.18 2nub n LYS 525 Cb 0.24 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 2nub n LYS 525 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nub n GLY 526 N 1.20 0.74 3.74 0.72 0.00 -0.92 -2.43 105.19 108.24 2nub n GLY 526 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2nub n GLY 526 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nub s GLU 527 N -0.14 4.59 -0.41 1.61 2.02 -1.26 -4.74 118.70 120.37 2nub s GLU 527 Ca 0.00 1.70 -0.29 0.00 0.02 0.00 0.00 54.97 56.41 2nub s GLU 527 Cb 0.00 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.94 2nub s GLU 527 CO 0.00 0.06 1.52 -1.17 0.02 0.00 0.00 175.26 175.69 2nub s LEU 528 N -0.23 3.54 0.10 1.80 2.96 -1.26 -0.91 118.68 124.67 2nub s LEU 528 Ca 0.50 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 55.31 2nub s LEU 528 Cb -0.29 -3.46 -0.24 0.00 0.50 0.00 0.00 46.19 42.70 2nub s LEU 528 CO 0.34 -1.55 1.21 0.58 -1.32 0.00 0.00 176.35 175.61 2nub h VAL 529 N 6.55 1.61 -1.14 1.68 2.07 -0.28 -3.47 116.25 123.28 2nub h VAL 529 Ca -0.29 -3.27 0.21 0.00 0.82 0.00 0.00 66.70 64.17 2nub h VAL 529 Cb 1.12 2.88 -0.27 0.00 -1.52 0.00 0.00 31.29 33.49 2nub h VAL 529 CO 1.09 0.94 0.88 -0.60 0.02 0.00 0.00 177.57 179.89 2nub s ARG 530 N -2.69 0.14 0.22 1.57 6.06 -0.95 -4.80 118.95 118.51 2nub s ARG 530 Ca -0.01 0.05 0.10 0.00 -2.50 0.00 0.00 55.73 53.37 2nub s ARG 530 Cb 0.09 0.07 -0.05 0.00 0.06 0.00 0.00 34.95 35.12 2nub s ARG 530 CO 0.84 -0.04 -0.18 1.52 -2.50 0.00 0.00 175.30 174.95 2nub s TYR 531 N -0.88 1.96 -0.24 5.12 -0.85 -0.26 -0.10 117.35 122.09 2nub s TYR 531 Ca 0.07 -0.46 -0.02 0.00 -0.52 0.00 0.00 57.07 56.14 2nub s TYR 531 Cb -0.01 -0.90 0.12 0.00 0.38 0.00 0.00 41.96 41.55 2nub s TYR 531 CO -0.07 0.48 0.32 -0.47 -1.52 0.00 0.00 175.55 174.29 2nub s TYR 532 N -2.55 -0.62 -0.21 -3.49 5.04 0.15 -2.72 117.35 112.96 2nub s TYR 532 Ca 0.23 0.45 -0.05 0.00 -2.44 0.00 0.00 57.07 55.26 2nub s TYR 532 Cb -0.04 -0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.07 2nub s TYR 532 CO 0.10 -0.74 0.00 -1.17 -1.34 0.00 0.00 175.55 172.40 2nub s LEU 533 N 2.45 3.22 -0.02 6.97 2.96 -0.31 -0.80 118.68 133.14 2nub s LEU 533 Ca 0.10 -0.24 -0.25 0.00 -0.22 0.00 0.00 54.13 53.53 2nub s LEU 533 Cb -0.15 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.77 2nub s LEU 533 CO -0.19 0.03 0.54 0.28 -1.32 0.00 0.00 176.35 175.70 2nub s THR 534 N 1.20 0.02 0.03 3.68 -1.32 -0.73 -2.24 115.64 116.28 2nub s THR 534 Ca 0.03 -0.18 0.03 0.00 -1.21 0.00 0.00 61.69 60.36 2nub s THR 534 Cb -0.15 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 2nub s THR 534 CO 0.01 -0.10 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.36 2nub s SER 535 N -1.35 4.95 -0.43 8.08 1.04 -1.17 0.12 113.70 124.94 2nub s SER 535 Ca -0.11 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.25 2nub s SER 535 Cb -0.02 -1.22 0.12 0.00 0.10 0.00 0.00 66.02 65.00 2nub s SER 535 CO 0.07 0.25 0.19 -0.31 0.98 0.00 0.00 173.24 174.42 2nub s TYR 536 N -1.12 2.72 0.45 5.02 2.02 -0.28 -4.86 117.35 121.29 2nub s TYR 536 Ca 0.21 -2.73 -0.24 0.00 -0.37 0.00 0.00 57.07 53.94 2nub s TYR 536 Cb -0.11 -2.40 -0.08 0.00 -0.40 0.00 0.00 41.96 38.97 2nub s TYR 536 CO 0.12 -0.81 1.28 -2.14 -1.57 0.00 0.00 175.55 172.42 2nub s PRO 537 N 0.37 3.76 0.05 -1.71 0.02 -1.26 -3.17 135.00 133.06 2nub s PRO 537 Ca 0.15 2.07 -0.00 0.00 0.02 0.00 0.00 61.00 63.24 2nub s PRO 537 Cb -0.23 -2.57 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 2nub s PRO 537 CO -0.04 -0.64 -0.04 0.00 -0.33 0.00 0.00 177.00 175.95 2nub s ALA 538 N -1.34 0.53 0.00 -1.55 0.00 -1.08 -4.99 121.76 113.32 2nub s ALA 538 Ca 0.61 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2nub s ALA 538 Cb -0.36 0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2nub s ALA 538 CO 0.45 -0.28 0.00 0.34 0.00 0.00 0.00 175.76 176.27 2nub n PHE 539 N 0.48 0.00 -2.53 0.00 -0.00 -1.26 -4.89 117.46 109.25 2nub n PHE 539 Ca -0.16 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.06 2nub n PHE 539 Cb 0.59 -0.07 0.05 0.00 -0.00 0.00 0.00 39.48 40.05 2nub n PHE 539 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2nub s GLY 540 N -2.09 1.79 -1.30 7.13 0.00 -1.26 -4.98 107.32 106.62 2nub s GLY 540 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 2nub s GLY 540 CO 0.00 -0.93 2.42 1.18 0.00 0.00 0.00 173.10 175.77 2nub n GLU 541 N -2.51 4.49 -1.38 2.90 4.71 -1.26 -4.37 120.64 123.22 2nub n GLU 541 Ca 0.08 -3.38 -0.10 0.00 -0.01 0.00 0.00 57.16 53.76 2nub n GLU 541 Cb 0.60 -2.62 0.11 0.00 -1.01 0.00 0.00 31.44 28.52 2nub n GLU 541 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2nub n LYS 542 N 1.75 2.64 0.13 3.49 0.00 -1.26 -4.77 118.16 120.13 2nub n LYS 542 Ca 0.63 -3.75 0.01 0.00 -0.00 0.00 0.00 58.31 55.20 2nub n LYS 542 Cb 0.26 -1.95 0.02 0.00 -0.00 0.00 0.00 35.03 33.36 2nub n LYS 542 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2nub h LEU 543 N 1.64 0.00 -0.04 -5.58 6.46 -1.99 -3.25 115.31 112.55 2nub h LEU 543 Ca 0.19 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 2nub h LEU 543 Cb 1.30 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.23 2nub h LEU 543 CO 0.40 0.58 -0.05 0.74 -0.62 0.00 0.00 178.44 179.49 2nub h THR 544 N 0.00 1.40 -0.57 1.05 2.02 -1.97 0.32 112.91 115.15 2nub h THR 544 Ca -0.01 -1.27 0.12 0.00 0.77 0.00 0.00 66.41 66.02 2nub h THR 544 Cb 1.42 2.17 -0.10 0.00 -1.74 0.00 0.00 68.15 69.90 2nub h THR 544 CO 0.07 0.34 -0.04 -0.08 0.37 0.00 0.00 175.52 176.18 2nub h GLU 545 N -0.39 0.07 0.45 6.66 4.81 -1.93 0.17 114.58 124.42 2nub h GLU 545 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2nub h GLU 545 Cb 0.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2nub h GLU 545 CO 0.01 0.05 -0.22 -0.22 -0.73 0.00 0.00 179.01 177.90 2nub h LYS 546 N 0.08 -0.58 -0.70 1.92 3.64 -1.59 -1.47 116.57 117.87 2nub h LYS 546 Ca 0.29 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.78 2nub h LYS 546 Cb 0.46 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.31 2nub h LYS 546 CO -0.52 -0.31 -0.57 0.00 -2.27 0.00 0.00 179.45 175.78 2nub h ALA 547 N -0.88 -0.65 -0.96 5.00 0.00 -0.55 0.36 119.26 121.57 2nub h ALA 547 Ca -0.06 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2nub h ALA 547 Cb 0.55 1.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 2nub h ALA 547 CO 0.10 -1.01 0.63 0.82 0.00 0.00 0.00 179.25 179.80 2nub h ILE 548 N -0.20 1.21 -0.04 0.00 5.03 -1.09 -2.96 117.51 119.46 2nub h ILE 548 Ca 0.12 -0.43 0.02 0.00 -0.12 0.00 0.00 64.86 64.45 2nub h ILE 548 Cb 0.51 -0.16 -0.05 0.00 -3.03 0.00 0.00 36.82 34.08 2nub h ILE 548 CO -0.77 0.23 -0.50 1.23 -0.68 0.00 0.00 178.15 177.66 2nub h GLY 549 N 1.26 -1.15 -0.54 5.37 0.00 0.76 -1.00 103.07 107.77 2nub h GLY 549 Ca 0.37 0.67 0.29 0.00 0.00 0.00 0.00 47.33 48.66 2nub h GLY 549 CO -0.10 -0.25 0.99 -0.55 0.00 0.00 0.00 176.54 176.64 2nub h ASP 550 N -0.60 0.00 -0.03 0.19 5.19 -0.90 0.18 116.42 120.45 2nub h ASP 550 Ca 0.02 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 2nub h ASP 550 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2nub h ASP 550 CO -0.36 0.00 -0.14 0.58 -3.12 0.00 0.00 179.24 176.21 2nub h VAL 551 N 0.00 1.49 -0.70 -1.35 2.07 -1.22 -2.06 116.25 114.48 2nub h VAL 551 Ca 0.48 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 2nub h VAL 551 Cb 2.45 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 34.68 2nub h VAL 551 CO -0.01 0.44 0.15 -0.26 0.02 0.00 0.00 177.57 177.92 2nub h PHE 552 N -0.45 1.19 -0.81 1.57 -1.00 -0.57 -0.67 116.94 116.20 2nub h PHE 552 Ca -0.01 -0.15 0.10 0.00 2.81 0.00 0.00 57.97 60.72 2nub h PHE 552 Cb 0.79 -0.33 -0.08 0.00 3.61 0.00 0.00 35.95 39.94 2nub h PHE 552 CO 0.15 0.98 0.44 1.03 -1.61 0.00 0.00 178.31 179.30 2nub h SER 553 N 1.07 0.61 0.77 2.17 0.87 -1.30 -0.14 113.55 117.59 2nub h SER 553 Ca 0.22 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.73 2nub h SER 553 Cb 0.40 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2nub h SER 553 CO 0.01 0.33 -0.52 0.25 -0.53 0.00 0.00 176.83 176.37 2nub h LEU 554 N 0.72 0.00 -0.76 2.23 5.85 -0.91 -1.76 115.31 120.69 2nub h LEU 554 Ca 0.40 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 2nub h LEU 554 Cb 0.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2nub h LEU 554 CO -0.27 0.52 -0.59 -0.07 -0.34 0.00 0.00 178.44 177.69 2nub h LEU 555 N 0.00 0.00 0.14 2.25 3.38 0.50 -2.23 115.31 119.35 2nub h LEU 555 Ca -0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 2nub h LEU 555 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2nub h LEU 555 CO 0.07 0.59 -1.69 1.05 0.09 0.00 0.00 178.44 178.54 2nub h GLU 556 N 0.00 0.29 0.00 1.13 4.11 -1.24 -2.26 114.58 116.61 2nub h GLU 556 Ca -0.01 -0.50 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2nub h GLU 556 Cb 1.08 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2nub h GLU 556 CO 0.08 1.17 0.00 1.17 0.07 0.00 0.00 179.01 181.49 2nub n LYS 557 N -3.48 0.47 -0.05 1.06 4.81 -0.67 -2.01 118.16 118.29 2nub n LYS 557 Ca -0.22 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.20 2nub n LYS 557 Cb 1.06 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 34.50 2nub n LYS 557 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2nub n LEU 558 N -1.00 0.00 0.00 3.14 4.77 -0.84 -5.02 117.00 118.04 2nub n LEU 558 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2nub n LEU 558 Cb 0.05 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2nub n LEU 558 CO 0.09 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2nub n GLY 559 N 2.07 1.34 3.57 -0.72 0.00 -0.85 -5.09 105.19 105.51 2nub n GLY 559 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2nub n GLY 559 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nub s PHE 560 N -1.51 3.19 0.50 1.61 0.08 -0.86 -5.05 117.98 115.94 2nub s PHE 560 Ca 0.00 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 56.99 2nub s PHE 560 Cb 0.00 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2nub s PHE 560 CO 0.00 -0.05 0.03 -1.59 -0.10 0.00 0.00 175.22 173.51 2nub s LYS 561 N 0.93 2.17 0.25 0.44 0.00 -1.26 -4.36 119.74 117.91 2nub s LYS 561 Ca 0.04 -2.33 -0.25 0.00 0.00 0.00 0.00 55.97 53.43 2nub s LYS 561 Cb -0.14 -1.59 -0.16 0.00 0.00 0.00 0.00 37.83 35.94 2nub s LYS 561 CO 0.03 -0.33 0.38 1.17 0.00 0.00 0.00 175.35 176.59 2nub n LYS 562 N -1.26 0.00 0.00 1.78 4.81 -1.26 -1.89 118.16 120.34 2nub n LYS 562 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 2nub n LYS 562 Cb 0.67 -0.95 0.00 0.00 0.02 0.00 0.00 35.03 34.76 2nub n LYS 562 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nub n GLY 563 N 2.00 1.29 3.77 3.14 0.00 -0.97 -5.04 105.19 109.36 2nub n GLY 563 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2nub n GLY 563 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nub s SER 564 N -1.73 6.93 -0.26 1.61 0.01 -0.79 -4.76 113.70 114.70 2nub s SER 564 Ca 0.00 2.44 -0.11 0.00 1.31 0.00 0.00 55.95 59.59 2nub s SER 564 Cb 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2nub s SER 564 CO 0.00 -0.40 0.19 -0.75 0.41 0.00 0.00 173.24 172.69 2nub s LYS 565 N -1.76 4.02 -0.11 12.44 2.47 -1.26 0.64 119.74 136.18 2nub s LYS 565 Ca 0.49 -0.25 0.03 0.00 -1.56 0.00 0.00 55.97 54.67 2nub s LYS 565 Cb -0.35 -3.59 0.01 0.00 -1.46 0.00 0.00 37.83 32.44 2nub s LYS 565 CO 0.45 -0.06 -0.19 0.42 0.16 0.00 0.00 175.35 176.13 2nub s ILE 566 N 1.40 1.75 -0.19 5.43 -1.09 0.11 -0.92 121.20 127.69 2nub s ILE 566 Ca 0.08 -0.81 -0.06 0.00 -2.23 0.00 0.00 60.65 57.64 2nub s ILE 566 Cb -0.15 -1.56 -0.03 0.00 -1.58 0.00 0.00 42.46 39.14 2nub s ILE 566 CO 0.08 0.49 0.02 -0.69 -1.23 0.00 0.00 174.94 173.61 2nub s VAL 567 N 0.75 4.27 -0.01 2.92 1.01 -0.73 -2.12 120.40 126.49 2nub s VAL 567 Ca -0.10 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2nub s VAL 567 Cb -0.16 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2nub s VAL 567 CO 0.01 0.45 -0.03 -0.69 0.00 0.00 0.00 175.10 174.84 2nub s VAL 568 N 0.69 3.94 -0.33 2.92 1.01 -0.88 0.14 120.40 127.89 2nub s VAL 568 Ca 0.01 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2nub s VAL 568 Cb -0.14 -2.72 0.10 0.00 0.00 0.00 0.00 36.38 33.62 2nub s VAL 568 CO 0.02 0.42 0.05 -1.00 0.00 0.00 0.00 175.10 174.59 2nub s HIS 569 N -1.01 3.42 -0.11 5.22 3.76 0.31 -2.88 115.29 124.00 2nub s HIS 569 Ca 0.17 -2.77 -0.29 0.00 -0.15 0.00 0.00 55.06 52.02 2nub s HIS 569 Cb -0.11 -2.69 -0.01 0.00 1.11 0.00 0.00 32.58 30.87 2nub s HIS 569 CO 0.08 -0.93 1.00 0.50 -0.85 0.00 0.00 174.74 174.53 2nub s ARG 570 N 1.02 4.41 0.00 1.40 3.00 0.92 -1.37 118.95 128.33 2nub s ARG 570 Ca 0.10 1.37 0.00 0.00 -1.00 0.00 0.00 55.73 56.20 2nub s ARG 570 Cb -0.19 -3.55 0.00 0.00 0.00 0.00 0.00 34.95 31.22 2nub s ARG 570 CO -0.11 -0.33 0.00 -3.47 0.00 0.00 0.00 175.30 171.40 2nub n ASP 571 N 5.07 0.00 0.00 -2.12 2.03 -0.66 -2.22 116.55 118.64 2nub n ASP 571 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2nub n ASP 571 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2nub n ASP 571 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nub n GLY 572 N 0.00 -2.51 3.89 0.27 0.00 -1.26 -2.63 105.19 102.94 2nub n GLY 572 Ca 0.00 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2nub n GLY 572 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nub s ARG 573 N 0.00 3.48 0.14 1.61 1.81 -1.26 -3.32 118.95 121.42 2nub s ARG 573 Ca 0.00 -0.18 -0.30 0.00 -1.72 0.00 0.00 55.73 53.53 2nub s ARG 573 Cb 0.00 -3.13 -0.07 0.00 -0.45 0.00 0.00 34.95 31.30 2nub s ARG 573 CO 0.00 0.71 0.97 -0.51 -0.68 0.00 0.00 175.30 175.79 2nub s LEU 574 N -1.54 4.53 -0.12 2.53 1.43 -1.26 -5.04 118.68 119.20 2nub s LEU 574 Ca 0.23 1.85 -0.07 0.00 -1.03 0.00 0.00 54.13 55.11 2nub s LEU 574 Cb -0.13 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 2nub s LEU 574 CO 0.13 -0.04 0.13 -0.31 0.23 0.00 0.00 176.35 176.49 2nub s TYR 575 N -0.26 3.57 0.31 0.29 1.51 -1.26 -4.98 117.35 116.53 2nub s TYR 575 Ca 0.46 0.50 0.10 0.00 -1.01 0.00 0.00 57.07 57.13 2nub s TYR 575 Cb -0.24 -1.95 0.97 0.00 -0.11 0.00 0.00 41.96 40.62 2nub s TYR 575 CO 0.31 0.70 1.44 2.89 -1.11 0.00 0.00 175.55 179.78 2nub n ARG 576 N 2.08 -0.06 -0.10 -0.62 1.85 -1.26 0.19 116.66 118.74 2nub n ARG 576 Ca -0.20 1.32 -0.08 0.00 -1.00 0.00 0.00 57.85 57.89 2nub n ARG 576 Cb 0.55 -2.23 0.08 0.00 -1.05 0.00 0.00 32.46 29.81 2nub n ARG 576 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2nub h ASP 577 N 0.00 0.83 -0.40 2.89 2.03 -2.00 -2.76 116.42 117.01 2nub h ASP 577 Ca 0.67 -0.29 -0.09 0.00 -0.73 0.00 0.00 57.03 56.58 2nub h ASP 577 Cb 1.60 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.86 2nub h ASP 577 CO -0.78 1.01 -0.11 -0.33 -1.03 0.00 0.00 179.24 178.00 2nub h GLU 578 N 0.72 0.78 -0.77 4.15 5.08 -0.66 -1.88 114.58 122.00 2nub h GLU 578 Ca 0.10 -0.30 0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2nub h GLU 578 Cb 0.72 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2nub h GLU 578 CO 0.06 0.92 0.45 0.28 -1.00 0.00 0.00 179.01 179.71 2nub h VAL 579 N 0.59 0.98 -0.48 3.13 2.07 -1.30 0.15 116.25 121.38 2nub h VAL 579 Ca 0.10 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 2nub h VAL 579 Cb 0.64 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2nub h VAL 579 CO 0.04 0.15 -0.15 0.00 0.02 0.00 0.00 177.57 177.63 2nub h ALA 580 N 1.39 0.81 -0.71 1.67 0.00 -1.31 -1.22 119.26 119.89 2nub h ALA 580 Ca 0.35 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2nub h ALA 580 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2nub h ALA 580 CO -0.20 0.65 0.27 0.00 0.00 0.00 0.00 179.25 179.98 2nub h ALA 581 N 0.99 0.92 0.43 0.00 0.00 -0.49 0.59 119.26 121.69 2nub h ALA 581 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2nub h ALA 581 Cb 0.70 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2nub h ALA 581 CO 0.05 0.55 -0.20 0.74 0.00 0.00 0.00 179.25 180.39 2nub h PHE 582 N 1.02 -0.53 -0.91 0.00 0.04 -0.71 -0.40 116.94 115.44 2nub h PHE 582 Ca 0.23 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.06 2nub h PHE 582 Cb 0.23 0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.49 2nub h PHE 582 CO 0.02 -0.24 0.59 0.87 -0.60 0.00 0.00 178.31 178.95 2nub h LYS 583 N -0.75 0.98 0.00 1.51 1.57 -1.10 0.28 116.57 119.06 2nub h LYS 583 Ca -0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2nub h LYS 583 Cb 0.53 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2nub h LYS 583 CO 0.10 0.65 0.00 1.17 -0.57 0.00 0.00 179.45 180.79 2nub n LYS 584 N -4.50 0.00 -0.29 3.15 0.00 0.20 -2.21 118.16 114.51 2nub n LYS 584 Ca 0.14 0.48 0.01 0.00 0.00 0.00 0.00 58.31 58.94 2nub n LYS 584 Cb 0.22 -1.38 0.20 0.00 0.00 0.00 0.00 35.03 34.07 2nub n LYS 584 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2nub h TYR 585 N 0.00 1.08 -0.91 5.64 -1.99 -0.97 -1.24 116.97 118.57 2nub h TYR 585 Ca 0.00 0.03 0.26 0.00 2.00 0.00 0.00 58.73 61.02 2nub h TYR 585 Cb 0.00 -0.36 -0.04 0.00 2.00 0.00 0.00 36.73 38.33 2nub h TYR 585 CO -0.00 0.65 0.67 0.78 -0.00 0.00 0.00 178.16 180.26 2nub h GLY 586 N 1.14 0.00 1.07 3.88 0.00 -0.39 0.67 103.07 109.44 2nub h GLY 586 Ca 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.48 2nub h GLY 586 CO -0.09 0.00 -0.65 -2.09 0.00 0.00 0.00 176.54 173.71 2nub h GLU 587 N 0.00 0.72 -0.35 4.80 4.81 -0.74 0.38 114.58 124.20 2nub h GLU 587 Ca 0.43 -0.56 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 2nub h GLU 587 Cb 1.77 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.25 2nub h GLU 587 CO -0.00 1.18 -0.33 -0.07 -0.73 0.00 0.00 179.01 179.05 2nub h LEU 588 N 0.42 0.80 -1.19 1.64 3.38 0.35 -2.78 115.31 117.92 2nub h LEU 588 Ca -0.04 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2nub h LEU 588 Cb 1.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2nub h LEU 588 CO 0.14 1.06 -0.09 -1.22 0.09 0.00 0.00 178.44 178.42 2nub n TYR 589 N -4.07 0.00 -3.40 1.13 4.02 -0.24 -4.98 117.16 109.63 2nub n TYR 589 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 2nub n TYR 589 Cb 0.50 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 39.84 2nub n TYR 589 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2nub n GLY 590 N 1.28 -1.13 3.37 2.72 0.00 -0.51 -4.15 105.19 106.77 2nub n GLY 590 Ca 0.15 0.52 -0.29 0.00 0.00 0.00 0.00 46.02 46.41 2nub n GLY 590 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nub s TYR 591 N -3.33 2.27 -0.08 1.61 2.02 0.01 -2.29 117.35 117.55 2nub s TYR 591 Ca 0.37 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.50 2nub s TYR 591 Cb -0.09 -1.25 -0.05 0.00 -0.40 0.00 0.00 41.96 40.18 2nub s TYR 591 CO 0.79 0.29 0.50 -1.12 -1.57 0.00 0.00 175.55 174.45 2nub s SER 592 N -1.91 6.76 0.07 2.29 0.01 0.21 -4.69 113.70 116.43 2nub s SER 592 Ca 0.13 0.90 0.07 0.00 1.31 0.00 0.00 55.95 58.37 2nub s SER 592 Cb -0.10 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2nub s SER 592 CO 0.05 0.05 -0.20 -0.76 0.41 0.00 0.00 173.24 172.79 2nub s LEU 593 N 0.31 2.23 -0.09 2.44 1.02 -1.26 0.06 118.68 123.39 2nub s LEU 593 Ca 0.27 -0.60 0.01 0.00 0.02 0.00 0.00 54.13 53.83 2nub s LEU 593 Cb -0.16 -0.86 0.02 0.00 0.02 0.00 0.00 46.19 45.21 2nub s LEU 593 CO 0.12 0.08 -0.10 -1.61 0.02 0.00 0.00 176.35 174.87 2nub s GLU 594 N -1.54 1.62 -0.10 1.70 0.41 -0.90 -4.04 118.70 115.84 2nub s GLU 594 Ca 0.06 -0.33 -0.03 0.00 -0.41 0.00 0.00 54.97 54.26 2nub s GLU 594 Cb -0.09 -1.52 -0.03 0.00 -1.78 0.00 0.00 34.13 30.70 2nub s GLU 594 CO 0.03 -0.14 0.02 -0.51 -0.49 0.00 0.00 175.26 174.17 2nub s LEU 595 N 1.26 3.67 -0.01 1.80 1.43 0.43 -2.07 118.68 125.19 2nub s LEU 595 Ca -0.03 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2nub s LEU 595 Cb -0.14 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.23 2nub s LEU 595 CO -0.03 0.35 0.03 -0.76 0.23 0.00 0.00 176.35 176.16 2nub s LEU 596 N -0.70 1.82 0.02 1.79 1.02 -1.14 -0.29 118.68 121.19 2nub s LEU 596 Ca 0.11 0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.33 2nub s LEU 596 Cb -0.12 0.08 -0.04 0.00 0.02 0.00 0.00 46.19 46.13 2nub s LEU 596 CO 0.02 -0.02 0.03 -1.61 0.02 0.00 0.00 176.35 174.79 2nub s GLU 597 N 0.12 2.83 -0.43 1.70 2.02 -0.98 -0.06 118.70 123.90 2nub s GLU 597 Ca -0.01 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.38 2nub s GLU 597 Cb -0.01 -2.70 0.14 0.00 0.10 0.00 0.00 34.13 31.65 2nub s GLU 597 CO -0.00 0.61 0.24 0.42 0.02 0.00 0.00 175.26 176.55 2nub s ILE 598 N -1.17 1.27 -0.12 -1.63 1.01 -0.94 -2.64 121.20 116.96 2nub s ILE 598 Ca 0.22 -2.49 -0.29 0.00 0.00 0.00 0.00 60.65 58.08 2nub s ILE 598 Cb -0.12 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 2nub s ILE 598 CO 0.13 -0.92 1.32 -0.63 0.00 0.00 0.00 174.94 174.85 2nub s ILE 599 N 0.39 4.14 -1.20 2.92 1.09 -0.22 -4.56 121.20 123.76 2nub s ILE 599 Ca 0.18 1.40 0.11 0.00 -1.10 0.00 0.00 60.65 61.24 2nub s ILE 599 Cb -0.23 -3.90 0.21 0.00 -1.06 0.00 0.00 42.46 37.47 2nub s ILE 599 CO -0.00 -0.10 1.07 2.29 -0.10 0.00 0.00 174.94 178.09 2nub n LYS 600 N 6.43 1.75 -4.31 2.79 2.85 -1.26 -0.73 118.16 125.68 2nub n LYS 600 Ca 0.14 -1.64 -0.23 0.00 -1.05 0.00 0.00 58.31 55.54 2nub n LYS 600 Cb 0.45 -1.25 -0.13 0.00 -0.65 0.00 0.00 35.03 33.45 2nub n LYS 600 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2nub s ARG 601 N -0.98 1.08 -1.21 -1.58 0.52 -1.26 -4.86 118.95 110.66 2nub s ARG 601 Ca 0.19 -1.07 -0.14 0.00 -0.52 0.00 0.00 55.73 54.19 2nub s ARG 601 Cb 0.11 -1.26 -0.01 0.00 0.52 0.00 0.00 34.95 34.31 2nub s ARG 601 CO 0.15 0.30 0.70 0.09 0.02 0.00 0.00 175.30 176.56 2nub n ASN 602 N 1.27 -3.80 -4.73 0.23 3.02 -1.26 -5.00 115.26 104.99 2nub n ASN 602 Ca -0.19 -0.99 -0.23 0.00 -0.03 0.00 0.00 54.58 53.13 2nub n ASN 602 Cb 0.54 -3.40 -0.07 0.00 -0.61 0.00 0.00 39.78 36.24 2nub n ASN 602 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2nub s ASN 603 N -3.76 4.59 0.91 6.41 0.01 -1.26 -5.10 114.94 116.74 2nub s ASN 603 Ca 0.32 -0.88 -0.11 0.00 -0.71 0.00 0.00 52.86 51.49 2nub s ASN 603 Cb -0.11 -0.63 0.14 0.00 0.41 0.00 0.00 41.25 41.06 2nub s ASN 603 CO 0.86 -0.38 1.11 -2.84 -1.51 0.00 0.00 177.10 174.33 2nub s PRO 604 N -3.87 1.10 0.02 -0.60 0.02 -1.26 -4.98 135.00 125.43 2nub s PRO 604 Ca 0.39 1.23 0.09 0.00 0.02 0.00 0.00 61.00 62.73 2nub s PRO 604 Cb -0.01 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.73 2nub s PRO 604 CO 0.23 -2.47 -0.25 1.03 -0.33 0.00 0.00 177.00 175.20 2nub s ARG 605 N -4.74 1.82 0.28 5.54 0.52 -1.26 -4.41 118.95 116.69 2nub s ARG 605 Ca 0.65 -1.02 -0.23 0.00 -0.52 0.00 0.00 55.73 54.61 2nub s ARG 605 Cb -0.21 -1.91 -0.09 0.00 0.52 0.00 0.00 34.95 33.26 2nub s ARG 605 CO 0.58 0.50 0.84 -0.06 0.02 0.00 0.00 175.30 177.19 2nub s PHE 606 N -0.73 3.67 -0.30 -0.53 0.08 -0.97 -3.29 117.98 115.90 2nub s PHE 606 Ca 0.10 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.75 2nub s PHE 606 Cb -0.10 -2.78 0.09 0.00 -0.57 0.00 0.00 43.02 39.67 2nub s PHE 606 CO 0.01 0.26 0.07 -0.06 -0.10 0.00 0.00 175.22 175.40 2nub s PHE 607 N -1.58 2.25 0.21 0.36 0.40 0.42 -3.36 117.98 116.68 2nub s PHE 607 Ca 0.47 -2.00 -0.09 0.00 -0.60 0.00 0.00 56.93 54.71 2nub s PHE 607 Cb -0.17 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2nub s PHE 607 CO 0.22 -0.87 0.35 0.45 0.70 0.00 0.00 175.22 176.08 2nub s SER 608 N 1.43 -0.01 -0.10 1.36 0.15 -1.26 0.35 113.70 115.63 2nub s SER 608 Ca 0.08 -1.00 0.13 0.00 0.70 0.00 0.00 55.95 55.86 2nub s SER 608 Cb -0.18 0.50 0.34 0.00 -1.71 0.00 0.00 66.02 64.97 2nub s SER 608 CO -0.18 -1.01 1.25 0.59 1.20 0.00 0.00 173.24 175.09 2nub n ASN 609 N -0.31 3.02 0.07 5.45 3.02 -1.26 -4.76 115.26 120.48 2nub n ASN 609 Ca -0.02 -2.64 -0.16 0.00 -0.03 0.00 0.00 54.58 51.73 2nub n ASN 609 Cb 0.63 -0.36 -0.08 0.00 -0.61 0.00 0.00 39.78 39.36 2nub n ASN 609 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2nub h GLU 610 N 1.16 0.49 0.00 3.52 4.57 -1.83 -3.47 114.58 119.02 2nub h GLU 610 Ca 0.00 -0.57 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 2nub h GLU 610 Cb 1.03 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2nub h GLU 610 CO 0.08 1.21 0.00 1.63 -1.18 0.00 0.00 179.01 180.75 2nub n LYS 611 N -3.76 0.00 -2.44 1.92 4.01 -1.26 -4.63 118.16 112.01 2nub n LYS 611 Ca -0.09 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.31 2nub n LYS 611 Cb 0.88 -0.01 0.02 0.00 -0.51 0.00 0.00 35.03 35.42 2nub n LYS 611 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2nub n PHE 612 N 0.00 2.90 1.43 2.13 3.72 -1.26 -2.26 117.46 124.11 2nub n PHE 612 Ca 0.00 -2.56 0.13 0.00 -0.05 0.00 0.00 57.45 54.97 2nub n PHE 612 Cb 0.00 -1.15 0.49 0.00 -0.94 0.00 0.00 39.48 37.88 2nub n PHE 612 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2nub n ILE 613 N -0.21 0.06 -1.64 4.37 -5.35 -1.26 -4.91 119.36 110.42 2nub n ILE 613 Ca 0.48 -0.28 -0.48 0.00 -0.27 0.00 0.00 62.75 62.21 2nub n ILE 613 Cb 0.26 0.45 -0.05 0.00 -1.74 0.00 0.00 39.64 38.57 2nub n ILE 613 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2nub n LYS 614 N 0.20 1.99 0.00 6.28 4.81 -1.26 0.77 118.16 130.96 2nub n LYS 614 Ca 0.18 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 2nub n LYS 614 Cb 0.34 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.70 2nub n LYS 614 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nub n GLY 615 N 4.90 0.62 3.73 3.14 0.00 0.19 -4.78 105.19 112.99 2nub n GLY 615 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 2nub n GLY 615 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nub s TYR 616 N -2.00 3.26 0.09 1.61 1.51 0.23 -0.23 117.35 121.83 2nub s TYR 616 Ca 0.00 1.16 -0.00 0.00 -1.01 0.00 0.00 57.07 57.22 2nub s TYR 616 Cb 0.00 -3.61 -0.04 0.00 -0.11 0.00 0.00 41.96 38.20 2nub s TYR 616 CO 0.00 -1.97 -0.01 -0.59 -1.11 0.00 0.00 175.55 171.87 2nub s PHE 617 N 0.39 0.76 -0.05 2.71 -0.12 0.24 -1.90 117.98 120.01 2nub s PHE 617 Ca 0.59 -1.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.39 2nub s PHE 617 Cb -0.36 -0.47 0.03 0.00 -0.63 0.00 0.00 43.02 41.58 2nub s PHE 617 CO 0.36 -0.35 0.01 -0.47 -0.05 0.00 0.00 175.22 174.72 2nub s TYR 618 N -3.86 0.48 -0.06 3.49 6.14 -0.72 0.04 117.35 122.86 2nub s TYR 618 Ca 0.14 -0.05 -0.23 0.00 0.64 0.00 0.00 57.07 57.57 2nub s TYR 618 Cb 0.07 -0.64 -0.04 0.00 0.42 0.00 0.00 41.96 41.77 2nub s TYR 618 CO -0.05 -0.25 0.69 0.15 0.64 0.00 0.00 175.55 176.73 2nub s LYS 619 N 1.71 4.43 0.45 4.97 1.02 -1.26 0.47 119.74 131.52 2nub s LYS 619 Ca 0.00 0.86 0.07 0.00 0.02 0.00 0.00 55.97 56.93 2nub s LYS 619 Cb -0.13 -3.44 0.07 0.00 -0.52 0.00 0.00 37.83 33.82 2nub s LYS 619 CO -0.04 0.09 0.62 1.28 -0.92 0.00 0.00 175.35 176.38 2nub n LEU 620 N 3.69 0.00 0.00 3.17 4.32 0.17 -2.29 117.00 126.06 2nub n LEU 620 Ca -0.02 -1.95 0.00 0.00 -0.02 0.00 0.00 56.01 54.02 2nub n LEU 620 Cb 0.51 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 2nub n LEU 620 CO 0.47 -0.66 0.00 -1.54 -1.22 0.00 0.00 177.39 174.43 2nub n SER 621 N -2.47 0.00 -3.78 -1.43 3.41 -1.26 -2.77 113.62 105.33 2nub n SER 621 Ca 0.13 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.52 2nub n SER 621 Cb 0.47 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 2nub n SER 621 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2nub n GLU 622 N 0.00 0.00 -2.90 4.33 4.07 -1.26 -3.58 120.64 121.30 2nub n GLU 622 Ca 0.00 -0.53 -0.13 0.00 -0.06 0.00 0.00 57.16 56.44 2nub n GLU 622 Cb 0.00 -1.80 -0.01 0.00 -0.06 0.00 0.00 31.44 29.57 2nub n GLU 622 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2nub n ASP 623 N 6.61 -2.51 -4.83 4.31 8.00 -1.26 -4.58 116.55 122.29 2nub n ASP 623 Ca 0.24 0.03 -0.24 0.00 0.71 0.00 0.00 54.79 55.52 2nub n ASP 623 Cb 0.34 -2.18 -0.05 0.00 -0.02 0.00 0.00 41.12 39.22 2nub n ASP 623 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2nub s SER 624 N -2.31 5.64 0.01 -2.24 0.15 -1.24 -2.31 113.70 111.41 2nub s SER 624 Ca 0.18 -0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.65 2nub s SER 624 Cb -0.10 -1.49 -0.01 0.00 -1.71 0.00 0.00 66.02 62.71 2nub s SER 624 CO 0.22 0.02 0.07 -0.69 1.20 0.00 0.00 173.24 174.06 2nub s VAL 625 N -1.90 0.09 -0.34 4.45 1.01 0.93 0.46 120.40 125.11 2nub s VAL 625 Ca 0.32 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2nub s VAL 625 Cb -0.09 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.95 2nub s VAL 625 CO 0.25 -0.40 0.15 -0.63 0.00 0.00 0.00 175.10 174.47 2nub s ILE 626 N -1.33 4.38 -0.12 2.22 -1.09 0.18 -0.88 121.20 124.55 2nub s ILE 626 Ca -0.14 -0.73 -0.00 0.00 -2.23 0.00 0.00 60.65 57.55 2nub s ILE 626 Cb -0.08 -3.35 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2nub s ILE 626 CO 0.00 -0.08 -0.11 -0.22 -1.23 0.00 0.00 174.94 173.31 2nub s LEU 627 N 1.54 2.84 -0.35 2.97 2.96 0.40 -1.76 118.68 127.29 2nub s LEU 627 Ca 0.02 -0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 53.49 2nub s LEU 627 Cb -0.18 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.87 2nub s LEU 627 CO 0.05 0.20 0.56 0.00 -1.32 0.00 0.00 176.35 175.83 2nub s ALA 628 N 0.18 3.47 -1.92 5.97 0.00 -0.80 -1.22 121.76 127.44 2nub s ALA 628 Ca -0.06 -0.95 0.18 0.00 0.00 0.00 0.00 51.96 51.12 2nub s ALA 628 Cb -0.15 -3.07 0.31 0.00 0.00 0.00 0.00 23.12 20.22 2nub s ALA 628 CO 0.04 -1.26 1.24 0.25 0.00 0.00 0.00 175.76 176.03 2nub n THR 629 N 5.48 0.47 -3.87 0.00 -2.24 -1.26 0.54 114.28 113.40 2nub n THR 629 Ca -0.04 -0.74 -0.11 0.00 -2.27 0.00 0.00 64.05 60.90 2nub n THR 629 Cb 0.49 0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 2nub n THR 629 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2nub s TYR 630 N -1.27 0.02 0.12 4.78 -0.85 -1.26 -4.76 117.35 114.13 2nub s TYR 630 Ca 0.29 -0.07 -0.30 0.00 -0.52 0.00 0.00 57.07 56.48 2nub s TYR 630 Cb 0.17 -0.04 -0.06 0.00 0.38 0.00 0.00 41.96 42.41 2nub s TYR 630 CO 0.24 -0.23 1.12 -0.80 -1.52 0.00 0.00 175.55 174.36 2nub s ASN 631 N -1.07 7.22 -0.79 -0.18 0.01 -1.26 -4.03 114.94 114.83 2nub s ASN 631 Ca -0.12 2.01 -0.24 0.00 -0.71 0.00 0.00 52.86 53.80 2nub s ASN 631 Cb -0.06 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 39.06 2nub s ASN 631 CO 0.01 -0.31 1.21 0.00 -1.51 0.00 0.00 177.10 176.51 2nub s GLN 632 N 0.28 3.29 -0.35 -0.60 -2.07 -0.96 -4.71 119.66 114.55 2nub s GLN 632 Ca 0.53 -0.73 0.07 0.00 -1.82 0.00 0.00 55.36 53.41 2nub s GLN 632 Cb -0.28 -4.50 0.51 0.00 -1.09 0.00 0.00 33.01 27.64 2nub s GLN 632 CO 0.32 -2.04 1.52 0.28 -1.32 0.00 0.00 175.29 174.05 2nub n VAL 633 N 6.27 2.72 -3.68 3.63 0.31 -1.26 -4.68 118.33 121.64 2nub n VAL 633 Ca 0.09 -2.96 -0.16 0.00 -0.01 0.00 0.00 64.34 61.30 2nub n VAL 633 Cb 0.48 -0.55 -0.15 0.00 -0.91 0.00 0.00 33.84 32.71 2nub n VAL 633 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2nub s TYR 634 N -3.38 -0.19 0.00 3.52 6.04 -1.26 -5.07 117.35 117.01 2nub s TYR 634 Ca 0.49 0.61 0.00 0.00 0.04 0.00 0.00 57.07 58.21 2nub s TYR 634 Cb 0.42 -0.22 0.00 0.00 -1.04 0.00 0.00 41.96 41.13 2nub s TYR 634 CO 0.01 -0.26 0.00 -0.85 -1.54 0.00 0.00 175.55 172.91 2nub n GLU 635 N 5.14 0.00 0.05 4.97 -0.00 -1.26 -4.70 120.64 124.83 2nub n GLU 635 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 2nub n GLU 635 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.94 2nub n GLU 635 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2nub n GLY 636 N 0.00 -0.08 3.66 -1.84 0.00 -1.26 -5.06 105.19 100.60 2nub n GLY 636 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2nub n GLY 636 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2nub s THR 637 N -1.51 3.59 -0.21 2.61 -1.32 -1.26 -4.77 115.64 112.76 2nub s THR 637 Ca 0.00 0.71 -0.13 0.00 -1.21 0.00 0.00 61.69 61.05 2nub s THR 637 Cb 0.00 -3.46 -0.04 0.00 -1.51 0.00 0.00 72.50 67.48 2nub s THR 637 CO 0.00 -0.07 0.28 -2.28 -2.21 0.00 0.00 174.62 170.34 2nub s HIS 638 N 4.12 3.36 -0.58 9.09 2.46 -1.21 -5.04 115.29 127.49 2nub s HIS 638 Ca 0.73 0.45 -0.15 0.00 0.47 0.00 0.00 55.06 56.55 2nub s HIS 638 Cb -0.33 -2.40 0.14 0.00 -0.13 0.00 0.00 32.58 29.87 2nub s HIS 638 CO 0.29 0.05 0.53 1.14 -2.47 0.00 0.00 174.74 174.28 2nub s GLN 639 N 1.11 3.05 0.00 2.88 -2.07 -1.26 -2.30 119.66 121.07 2nub s GLN 639 Ca 0.14 -1.81 0.00 0.00 -1.82 0.00 0.00 55.36 51.86 2nub s GLN 639 Cb -0.14 -4.30 0.00 0.00 -1.09 0.00 0.00 33.01 27.48 2nub s GLN 639 CO 0.06 -1.32 0.00 -0.35 -1.32 0.00 0.00 175.29 172.36 2nub n PRO 640 N 5.07 0.53 -4.17 9.60 -0.04 -1.26 -4.92 135.00 139.81 2nub n PRO 640 Ca -0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.24 2nub n PRO 640 Cb 0.41 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.78 2nub n PRO 640 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2nub s ILE 641 N -0.28 0.00 -0.09 0.52 -4.36 -0.36 -4.92 121.20 111.72 2nub s ILE 641 Ca 0.00 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 2nub s ILE 641 Cb 0.00 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.25 2nub s ILE 641 CO 0.00 -0.02 -0.13 -0.75 0.24 0.00 0.00 174.94 174.28 2nub s LYS 642 N -4.14 2.95 -0.14 0.37 2.20 0.09 -0.45 119.74 120.62 2nub s LYS 642 Ca 0.36 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 2nub s LYS 642 Cb 0.06 -2.52 0.02 0.00 -1.51 0.00 0.00 37.83 33.88 2nub s LYS 642 CO 0.11 0.43 -0.15 0.08 -0.36 0.00 0.00 175.35 175.45 2nub s VAL 643 N -0.21 1.63 -0.10 4.02 1.01 -0.06 -1.06 120.40 125.64 2nub s VAL 643 Ca 0.01 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2nub s VAL 643 Cb -0.13 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2nub s VAL 643 CO 0.03 0.47 -0.18 -0.60 0.00 0.00 0.00 175.10 174.82 2nub s ARG 644 N 1.34 2.43 -0.60 2.72 3.52 -1.08 -0.05 118.95 127.23 2nub s ARG 644 Ca 0.02 -0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 54.74 2nub s ARG 644 Cb -0.13 -1.94 0.06 0.00 -1.56 0.00 0.00 34.95 31.38 2nub s ARG 644 CO -0.09 0.05 0.88 0.21 -0.81 0.00 0.00 175.30 175.55 2nub s LYS 645 N 0.64 3.17 0.18 5.12 2.20 -0.98 -2.30 119.74 127.78 2nub s LYS 645 Ca -0.13 -0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 54.72 2nub s LYS 645 Cb -0.16 -4.16 0.07 0.00 -1.51 0.00 0.00 37.83 32.07 2nub s LYS 645 CO 0.04 -1.60 1.49 0.28 -0.36 0.00 0.00 175.35 175.19 2nub h VAL 646 N 5.97 1.31 -2.47 4.02 2.07 -1.00 -3.46 116.25 122.68 2nub h VAL 646 Ca -0.28 -1.77 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 2nub h VAL 646 Cb 1.08 1.72 -0.17 0.00 -1.52 0.00 0.00 31.29 32.39 2nub h VAL 646 CO 1.11 0.56 0.10 -0.47 0.02 0.00 0.00 177.57 178.89 2nub s TYR 647 N -4.05 -0.52 0.00 1.57 5.04 -1.15 -4.92 117.35 113.32 2nub s TYR 647 Ca -0.08 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 2nub s TYR 647 Cb 0.11 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.80 2nub s TYR 647 CO 0.85 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 174.84 2nub n GLY 648 N 0.63 3.72 0.97 8.97 0.00 -1.26 0.16 105.19 118.38 2nub n GLY 648 Ca -0.19 -1.68 0.02 0.00 0.00 0.00 0.00 46.02 44.17 2nub n GLY 648 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nub n GLU 649 N -1.82 2.18 -4.87 1.61 0.28 -1.26 -5.00 120.64 111.75 2nub n GLU 649 Ca 0.00 -3.01 -0.32 0.00 -0.16 0.00 0.00 57.16 53.67 2nub n GLU 649 Cb 0.00 -1.80 -0.13 0.00 1.43 0.00 0.00 31.44 30.94 2nub n GLU 649 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2nub s LEU 650 N -3.07 2.57 0.67 -1.84 1.43 -1.26 -5.11 118.68 112.07 2nub s LEU 650 Ca 0.43 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 2nub s LEU 650 Cb 0.37 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 2nub s LEU 650 CO 0.03 0.31 1.19 -2.65 0.23 0.00 0.00 176.35 175.45 2nub n PRO 651 N 2.04 0.91 0.24 1.29 -0.02 -1.26 -4.86 135.00 133.33 2nub n PRO 651 Ca -0.17 0.37 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 2nub n PRO 651 Cb 0.52 -2.42 0.58 0.00 -0.02 0.00 0.00 33.50 32.16 2nub n PRO 651 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2nub h VAL 652 N 0.28 0.60 -0.83 -1.45 -1.51 -1.99 -2.63 116.25 108.72 2nub h VAL 652 Ca -0.50 -0.88 0.07 0.00 -1.23 0.00 0.00 66.70 64.17 2nub h VAL 652 Cb 1.34 1.57 -0.06 0.00 -2.13 0.00 0.00 31.29 32.01 2nub h VAL 652 CO 0.51 0.19 0.50 -0.33 -1.23 0.00 0.00 177.57 177.21 2nub h GLU 653 N 0.00 0.87 0.56 5.19 3.07 -1.99 0.46 114.58 122.75 2nub h GLU 653 Ca -0.00 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 2nub h GLU 653 Cb 0.56 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2nub h GLU 653 CO 0.02 0.58 -0.27 0.28 -1.40 0.00 0.00 179.01 178.22 2nub h VAL 654 N 0.90 0.00 -0.98 3.13 2.07 -1.83 -1.35 116.25 118.18 2nub h VAL 654 Ca 0.37 -0.33 0.28 0.00 0.82 0.00 0.00 66.70 67.84 2nub h VAL 654 Cb 0.21 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.84 2nub h VAL 654 CO -0.19 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 177.86 2nub h LEU 655 N -1.08 0.50 -0.28 2.57 3.38 -1.32 0.58 115.31 119.67 2nub h LEU 655 Ca -0.08 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2nub h LEU 655 Cb 0.58 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2nub h LEU 655 CO 0.13 -0.05 0.02 0.00 0.09 0.00 0.00 178.44 178.63 2nub h SER 657 N 0.28 0.71 -0.46 0.00 0.87 0.77 -1.02 113.55 114.70 2nub h SER 657 Ca 0.08 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 2nub h SER 657 Cb 0.39 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2nub h SER 657 CO 0.01 0.68 -0.02 1.56 -0.53 0.00 0.00 176.83 178.53 2nub h GLN 658 N 0.75 0.88 -0.71 2.24 4.20 0.11 -1.13 115.11 121.46 2nub h GLN 658 Ca 0.17 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 2nub h GLN 658 Cb 0.23 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2nub h GLN 658 CO -0.01 0.89 0.21 0.82 -0.67 0.00 0.00 178.83 180.07 2nub h ILE 659 N 0.81 1.26 -0.05 2.54 2.04 -0.66 -0.98 117.51 122.47 2nub h ILE 659 Ca 0.15 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 2nub h ILE 659 Cb 0.51 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2nub h ILE 659 CO 0.03 0.36 0.01 -0.07 0.00 0.00 0.00 178.15 178.47 2nub h LEU 660 N 1.06 0.07 -0.61 1.44 3.38 -0.83 -2.74 115.31 117.09 2nub h LEU 660 Ca 0.23 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2nub h LEU 660 Cb 0.32 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2nub h LEU 660 CO -0.00 0.28 0.28 0.28 0.09 0.00 0.00 178.44 179.36 2nub h SER 661 N -0.14 0.35 0.00 -0.43 0.02 -0.91 0.47 113.55 112.90 2nub h SER 661 Ca 0.02 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2nub h SER 661 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2nub h SER 661 CO 0.00 0.22 0.00 0.18 -1.14 0.00 0.00 176.83 176.09 2nub n LEU 662 N -4.92 0.00 0.06 5.07 4.77 -0.40 -1.48 117.00 120.11 2nub n LEU 662 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 2nub n LEU 662 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2nub n LEU 662 CO 0.25 0.00 0.28 0.74 -1.33 0.00 0.00 177.39 177.34 2nub h THR 663 N 0.00 1.41 0.00 -5.08 2.02 -0.59 -1.13 112.91 109.54 2nub h THR 663 Ca 0.00 -2.33 -0.00 0.00 0.77 0.00 0.00 66.41 64.85 2nub h THR 663 Cb 0.00 2.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2nub h THR 663 CO 0.00 0.69 -0.02 -0.07 0.37 0.00 0.00 175.52 176.49 2nub h LEU 664 N 0.22 0.00 -0.04 2.58 3.38 -1.37 -2.96 115.31 117.12 2nub h LEU 664 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2nub h LEU 664 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2nub h LEU 664 CO 0.14 0.02 0.00 0.23 0.09 0.00 0.00 178.44 178.92 2nub n MET 665 N -3.62 0.99 -0.21 1.13 2.81 -1.18 -2.52 117.12 114.51 2nub n MET 665 Ca -0.03 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.95 2nub n MET 665 Cb 0.11 -1.02 0.25 0.00 -0.71 0.00 0.00 33.22 31.85 2nub n MET 665 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2nub n ASN 666 N -0.48 2.58 -3.56 7.83 3.02 -1.12 -4.84 115.26 118.69 2nub n ASN 666 Ca 0.00 -1.94 -0.21 0.00 -0.03 0.00 0.00 54.58 52.39 2nub n ASN 666 Cb 0.01 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2nub n ASN 666 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2nub n TYR 667 N 0.91 -1.20 -2.97 3.10 4.02 -1.05 -4.90 117.16 115.06 2nub n TYR 667 Ca 0.17 0.38 -0.11 0.00 -0.01 0.00 0.00 57.90 58.33 2nub n TYR 667 Cb 0.43 -1.82 -0.03 0.00 -0.02 0.00 0.00 39.34 37.90 2nub n TYR 667 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2nub s SER 668 N -3.09 -0.55 -0.48 7.72 0.15 -1.26 -4.37 113.70 111.82 2nub s SER 668 Ca 0.11 -2.10 0.01 0.00 0.70 0.00 0.00 55.95 54.67 2nub s SER 668 Cb -0.06 1.18 0.48 0.00 -1.71 0.00 0.00 66.02 65.91 2nub s SER 668 CO 0.61 -0.09 1.91 -1.54 1.20 0.00 0.00 173.24 175.33 2nub n SER 669 N 2.99 5.51 0.00 5.45 3.41 -1.26 -3.92 113.62 125.80 2nub n SER 669 Ca 0.21 -3.48 0.00 0.00 -0.26 0.00 0.00 58.87 55.34 2nub n SER 669 Cb 0.53 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2nub n SER 669 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2nub n PHE 670 N -0.73 0.00 -4.08 7.33 3.72 -1.26 -5.01 117.46 117.43 2nub n PHE 670 Ca 0.52 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.59 2nub n PHE 670 Cb 1.07 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.45 2nub n PHE 670 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2nub s GLN 671 N -0.32 2.76 0.32 -1.08 -0.21 -1.25 -5.10 119.66 114.77 2nub s GLN 671 Ca 0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 55.36 54.09 2nub s GLN 671 Cb 0.00 -2.74 -0.11 0.00 1.00 0.00 0.00 33.01 31.16 2nub s GLN 671 CO 0.00 -0.34 1.56 -2.14 -2.12 0.00 0.00 175.29 172.24 2nub s PRO 672 N 1.24 4.12 -0.06 2.91 0.02 -1.26 -4.83 135.00 137.14 2nub s PRO 672 Ca 0.00 2.57 0.04 0.00 0.02 0.00 0.00 61.00 63.63 2nub s PRO 672 Cb -0.16 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 2nub s PRO 672 CO -0.09 -0.60 -0.18 0.42 -0.33 0.00 0.00 177.00 176.23 2nub s ILE 673 N -0.34 2.75 -0.15 2.83 -1.09 -1.26 -5.06 121.20 118.87 2nub s ILE 673 Ca 0.60 -0.82 -0.27 0.00 -2.23 0.00 0.00 60.65 57.92 2nub s ILE 673 Cb -0.47 -2.07 -0.25 0.00 -1.58 0.00 0.00 42.46 38.10 2nub s ILE 673 CO 0.52 0.57 0.65 0.50 -1.23 0.00 0.00 174.94 175.95 2nub h LYS 674 N 5.76 0.01 -6.64 2.79 3.64 -1.95 -3.41 116.57 116.77 2nub h LYS 674 Ca -0.39 -0.01 -0.51 0.00 -1.27 0.00 0.00 60.65 58.47 2nub h LYS 674 Cb 1.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2nub h LYS 674 CO 0.50 1.01 -0.02 -0.51 -2.27 0.00 0.00 179.45 178.16 2nub s LEU 675 N -8.13 3.99 0.54 5.20 1.43 -1.26 -4.67 118.68 115.79 2nub s LEU 675 Ca -0.21 0.96 -0.19 0.00 -1.03 0.00 0.00 54.13 53.65 2nub s LEU 675 Cb -0.01 -3.79 -0.06 0.00 0.03 0.00 0.00 46.19 42.36 2nub s LEU 675 CO 0.67 -0.26 1.12 -2.84 0.23 0.00 0.00 176.35 175.28 2nub s PRO 676 N -3.50 3.36 0.59 1.29 0.02 -1.26 -4.68 135.00 130.82 2nub s PRO 676 Ca 0.48 1.58 0.29 0.00 0.02 0.00 0.00 61.00 63.38 2nub s PRO 676 Cb -0.11 -2.01 1.37 0.00 0.02 0.00 0.00 34.50 33.77 2nub s PRO 676 CO 0.28 -0.83 1.75 0.00 -0.33 0.00 0.00 177.00 177.86 2nub h ALA 677 N 1.17 2.47 0.00 -1.55 0.00 -1.48 0.20 119.26 120.06 2nub h ALA 677 Ca -0.50 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 2nub h ALA 677 Cb 1.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2nub h ALA 677 CO 0.57 -1.04 -0.40 1.79 0.00 0.00 0.00 179.25 180.16 2nub h THR 678 N 0.00 1.10 0.00 0.00 1.35 -1.90 -3.32 112.91 110.14 2nub h THR 678 Ca 0.32 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2nub h THR 678 Cb 1.71 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 2nub h THR 678 CO -0.00 0.39 0.00 1.33 -0.25 0.00 0.00 175.52 176.99 2nub n VAL 679 N -3.78 0.43 -2.13 6.82 0.24 -0.08 -4.31 118.33 115.52 2nub n VAL 679 Ca -0.01 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 2nub n VAL 679 Cb 0.47 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.67 2nub n VAL 679 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2nub s HIS 680 N -0.43 3.17 -1.47 6.34 2.46 -0.39 -2.98 115.29 121.99 2nub s HIS 680 Ca 0.00 1.06 -0.11 0.00 0.47 0.00 0.00 55.06 56.48 2nub s HIS 680 Cb 0.00 -3.71 0.06 0.00 -0.13 0.00 0.00 32.58 28.80 2nub s HIS 680 CO 0.00 -2.34 0.99 0.66 -2.47 0.00 0.00 174.74 171.58 2nub n TYR 681 N 2.96 -2.37 -0.04 3.88 4.02 -1.26 -4.93 117.16 119.43 2nub n TYR 681 Ca 0.08 0.92 -0.03 0.00 -0.01 0.00 0.00 57.90 58.86 2nub n TYR 681 Cb 0.42 -4.25 -0.01 0.00 -0.02 0.00 0.00 39.34 35.47 2nub n TYR 681 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2nub n SER 682 N -2.90 0.88 -0.33 7.72 7.64 -1.16 -3.51 113.62 121.96 2nub n SER 682 Ca -0.01 0.32 0.18 0.00 1.01 0.00 0.00 58.87 60.37 2nub n SER 682 Cb 0.55 -0.65 0.39 0.00 -1.01 0.00 0.00 64.21 63.49 2nub n SER 682 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2nub h ASP 683 N -0.47 0.44 0.35 6.43 3.58 -1.92 0.39 116.42 125.23 2nub h ASP 683 Ca 0.00 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 2nub h ASP 683 Cb 0.33 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2nub h ASP 683 CO 0.00 -0.05 -0.17 0.50 -2.88 0.00 0.00 179.24 176.64 2nub h LYS 684 N 0.39 -0.46 0.43 0.28 3.64 -1.96 1.06 116.57 119.95 2nub h LYS 684 Ca 0.65 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 60.04 2nub h LYS 684 Cb 1.34 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 2nub h LYS 684 CO -0.56 -0.27 -0.21 0.82 -2.27 0.00 0.00 179.45 176.96 2nub h ILE 685 N -0.53 0.55 -0.36 2.00 2.04 -1.12 0.13 117.51 120.22 2nub h ILE 685 Ca -0.05 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.55 2nub h ILE 685 Cb 0.40 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2nub h ILE 685 CO 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 178.15 178.28 2nub h THR 686 N -0.77 0.73 0.00 -0.27 1.03 -0.30 0.64 112.91 113.96 2nub h THR 686 Ca -0.06 -0.03 -0.05 0.00 -0.01 0.00 0.00 66.41 66.26 2nub h THR 686 Cb 0.53 0.63 -0.01 0.00 -1.07 0.00 0.00 68.15 68.24 2nub h THR 686 CO 0.10 0.02 -0.23 0.50 -0.01 0.00 0.00 175.52 175.90 2nub h LYS 687 N 0.09 0.00 0.07 0.00 1.63 0.12 -3.12 116.57 115.37 2nub h LYS 687 Ca 0.17 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.71 2nub h LYS 687 Cb 0.24 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2nub h LYS 687 CO -0.30 0.23 -1.30 1.25 -3.45 0.00 0.00 179.45 175.88 2nub h LEU 688 N 0.00 0.24 -0.77 5.20 5.85 0.22 -3.31 115.31 122.75 2nub h LEU 688 Ca -0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2nub h LEU 688 Cb 0.48 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2nub h LEU 688 CO 0.03 1.24 0.00 0.23 -0.34 0.00 0.00 178.44 179.60 2nub n MET 689 N -3.41 1.21 -2.72 1.25 2.81 0.19 -4.39 117.12 112.06 2nub n MET 689 Ca -0.09 -0.20 -0.42 0.00 -1.81 0.00 0.00 57.70 55.18 2nub n MET 689 Cb 1.01 -1.34 0.01 0.00 -0.71 0.00 0.00 33.22 32.18 2nub n MET 689 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2nub n LEU 690 N -0.12 6.89 -3.70 4.03 4.77 -1.25 -4.96 117.00 122.68 2nub n LEU 690 Ca 0.02 -5.17 -0.16 0.00 -0.03 0.00 0.00 56.01 50.67 2nub n LEU 690 Cb 0.20 -1.27 -0.15 0.00 -2.33 0.00 0.00 43.42 39.87 2nub n LEU 690 CO 0.02 1.80 -0.25 -0.13 -1.33 0.00 0.00 177.39 177.50 2nub s ARG 691 N -2.72 0.04 2.39 3.23 3.00 -1.26 -5.11 118.95 118.51 2nub s ARG 691 Ca 0.36 0.48 0.00 0.00 0.00 0.00 0.00 55.73 56.58 2nub s ARG 691 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 34.95 34.80 2nub s ARG 691 CO 0.01 -0.26 0.00 0.41 0.00 0.00 0.00 175.30 175.46 2nub n GLY 692 N 4.94 -0.40 1.12 -3.53 0.00 -1.26 -3.32 105.19 102.75 2nub n GLY 692 Ca -0.12 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 44.85 2nub n GLY 692 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2nub n ILE 693 N -0.11 1.24 -1.44 -0.61 3.06 -1.26 -4.92 119.36 115.32 2nub n ILE 693 Ca 0.00 -0.63 -0.49 0.00 -2.50 0.00 0.00 62.75 59.13 2nub n ILE 693 Cb 0.00 -0.38 -0.09 0.00 0.54 0.00 0.00 39.64 39.72 2nub n ILE 693 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2nub n GLU 694 N 0.29 0.75 -3.10 9.51 2.13 -1.21 -4.89 120.64 124.11 2nub n GLU 694 Ca 0.13 0.16 -0.45 0.00 0.66 0.00 0.00 57.16 57.66 2nub n GLU 694 Cb 0.67 -2.30 -0.04 0.00 0.27 0.00 0.00 31.44 30.04 2nub n GLU 694 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2nub s PRO 695 N 6.91 3.05 -0.12 5.31 0.04 -1.26 -4.93 135.00 143.98 2nub s PRO 695 Ca 1.14 -1.31 -0.05 0.00 0.04 0.00 0.00 61.00 60.82 2nub s PRO 695 Cb -0.92 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 29.31 2nub s PRO 695 CO 0.48 -1.55 0.06 0.96 0.04 0.00 0.00 177.00 176.99 2nub s ILE 696 N 2.72 4.77 -0.45 0.56 -4.36 -1.26 -5.01 121.20 118.17 2nub s ILE 696 Ca 0.12 -0.06 0.06 0.00 -0.26 0.00 0.00 60.65 60.51 2nub s ILE 696 Cb -0.24 -3.07 0.22 0.00 1.25 0.00 0.00 42.46 40.62 2nub s ILE 696 CO 0.06 0.57 0.63 1.17 0.24 0.00 0.00 174.94 177.61 2nub n LYS 697 N 2.47 0.60 -4.72 0.37 3.00 -1.26 -3.03 118.16 115.58 2nub n LYS 697 Ca -0.18 -2.56 -0.25 0.00 -0.00 0.00 0.00 58.31 55.31 2nub n LYS 697 Cb 0.54 -1.42 -0.15 0.00 0.00 0.00 0.00 35.03 34.00 2nub n LYS 697 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2nub s LYS 698 N -0.02 1.39 0.03 1.64 1.02 -0.95 -5.05 119.74 117.79 2nub s LYS 698 Ca 0.33 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.53 2nub s LYS 698 Cb 0.13 -1.42 -0.02 0.00 -0.52 0.00 0.00 37.83 36.00 2nub s LYS 698 CO -0.16 0.37 -0.05 -1.83 -0.92 0.00 0.00 175.35 172.77 2nub s GLU 699 N -0.84 0.38 0.19 1.68 -1.05 -1.26 -1.17 118.70 116.63 2nub s GLU 699 Ca 0.07 -0.63 -0.06 0.00 -0.15 0.00 0.00 54.97 54.20 2nub s GLU 699 Cb -0.08 -0.06 0.03 0.00 -0.44 0.00 0.00 34.13 33.57 2nub s GLU 699 CO 0.01 -0.01 0.37 0.41 0.95 0.00 0.00 175.26 176.99 2nub n GLY 700 N 1.66 1.67 2.71 -3.83 0.00 -1.10 -4.98 105.19 101.33 2nub n GLY 700 Ca -0.23 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 2nub n GLY 700 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nub n ASP 701 N -1.36 1.68 -3.78 1.61 5.68 -1.26 -1.11 116.55 118.01 2nub n ASP 701 Ca -0.04 -2.49 -0.16 0.00 -0.50 0.00 0.00 54.79 51.61 2nub n ASP 701 Cb 0.29 -0.50 -0.16 0.00 -1.14 0.00 0.00 41.12 39.61 2nub n ASP 701 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2nub s ILE 702 N -3.51 -0.01 -1.40 2.12 -1.09 -1.26 -4.76 121.20 111.28 2nub s ILE 702 Ca 0.28 0.20 -0.08 0.00 -2.23 0.00 0.00 60.65 58.81 2nub s ILE 702 Cb 0.40 -0.12 -0.05 0.00 -1.58 0.00 0.00 42.46 41.11 2nub s ILE 702 CO 0.00 0.10 2.89 0.23 -1.23 0.00 0.00 174.94 176.93 2nub n MET 703 N 4.21 3.74 -0.07 2.79 2.81 -1.26 -4.71 117.12 124.63 2nub n MET 703 Ca -0.27 -2.39 0.18 0.00 -1.81 0.00 0.00 57.70 53.41 2nub n MET 703 Cb 0.50 -2.68 0.61 0.00 -0.71 0.00 0.00 33.22 30.94 2nub n MET 703 CO 0.00 0.00 0.00 0.10 1.51 0.00 0.00 175.97 177.58 2nub h TYR 704 N 4.70 0.20 -0.93 2.03 -0.00 -1.90 -2.83 116.97 118.25 2nub h TYR 704 Ca 0.77 0.01 0.03 0.00 0.00 0.00 0.00 58.73 59.54 2nub h TYR 704 Cb 0.39 -0.06 -0.05 0.00 0.00 0.00 0.00 36.73 37.01 2nub h TYR 704 CO 1.81 0.08 0.61 0.11 -0.00 0.00 0.00 178.16 180.77 2nub h TRP 705 N 0.18 1.13 0.00 0.10 0.09 -1.91 -3.40 115.95 112.14 2nub h TRP 705 Ca 0.30 0.03 0.00 0.00 0.09 0.00 0.00 58.89 59.30 2nub h TRP 705 Cb 0.93 -0.38 0.00 0.00 0.08 0.00 0.00 29.16 29.79 2nub h TRP 705 CO -0.00 0.66 0.00 1.28 0.09 0.00 0.00 178.44 180.47