#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d48 s PRO 3 N 0.00 3.48 0.59 3.23 0.04 -1.26 -4.20 135.00 136.88 3d48 s PRO 3 Ca 0.00 -0.43 -0.20 0.00 0.04 0.00 0.00 61.00 60.41 3d48 s PRO 3 Cb 0.00 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 3d48 s PRO 3 CO 0.00 0.52 1.23 -2.30 0.04 0.00 0.00 177.00 176.49 3d48 n PRO 4 N -0.22 1.28 -1.40 0.56 -0.02 -1.26 -1.70 135.00 132.24 3d48 n PRO 4 Ca -0.05 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3d48 n PRO 4 Cb 0.53 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3d48 n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d48 n GLY 5 N 0.96 -0.63 3.63 -1.23 0.00 -1.26 -4.16 105.19 102.49 3d48 n GLY 5 Ca 0.13 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3d48 n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d48 s LYS 6 N -0.98 3.64 0.65 1.61 2.47 -1.26 -4.19 119.74 121.67 3d48 s LYS 6 Ca 0.00 2.00 -0.07 0.00 -1.56 0.00 0.00 55.97 56.35 3d48 s LYS 6 Cb 0.00 -4.19 0.03 0.00 -1.46 0.00 0.00 37.83 32.21 3d48 s LYS 6 CO 0.00 -1.51 0.97 -1.25 0.16 0.00 0.00 175.35 173.72 3d48 s PRO 7 N 5.22 2.64 -0.07 4.03 0.05 -1.26 -3.59 135.00 142.02 3d48 s PRO 7 Ca 0.86 -0.04 0.01 0.00 0.05 0.00 0.00 61.00 61.88 3d48 s PRO 7 Cb -0.32 -2.20 0.02 0.00 0.05 0.00 0.00 34.50 32.05 3d48 s PRO 7 CO 0.34 -0.95 -0.10 -2.00 0.05 0.00 0.00 177.00 174.35 3d48 s GLU 8 N -5.14 1.50 -0.50 4.56 2.12 -1.10 -4.22 118.70 115.92 3d48 s GLU 8 Ca 0.57 -0.32 -0.25 0.00 0.36 0.00 0.00 54.97 55.33 3d48 s GLU 8 Cb -0.11 -1.34 0.03 0.00 0.26 0.00 0.00 34.13 32.98 3d48 s GLU 8 CO 0.46 -0.06 0.92 0.42 -0.54 0.00 0.00 175.26 176.46 3d48 s ILE 9 N 0.94 4.45 -0.10 -3.70 1.01 -1.26 -0.95 121.20 121.58 3d48 s ILE 9 Ca -0.10 0.48 0.20 0.00 0.00 0.00 0.00 60.65 61.24 3d48 s ILE 9 Cb -0.15 -4.47 -0.29 0.00 0.01 0.00 0.00 42.46 37.56 3d48 s ILE 9 CO 0.01 -0.95 0.37 2.22 0.00 0.00 0.00 174.94 176.58 3d48 n PHE 10 N 7.25 0.08 -3.61 3.97 -1.74 0.41 -4.96 117.46 118.86 3d48 n PHE 10 Ca 0.04 0.03 -0.16 0.00 -0.56 0.00 0.00 57.45 56.79 3d48 n PHE 10 Cb 0.48 -0.72 -0.07 0.00 1.52 0.00 0.00 39.48 40.68 3d48 n PHE 10 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 3d48 s LYS 11 N -3.11 0.91 0.15 3.97 -2.85 -1.23 -5.04 119.74 112.53 3d48 s LYS 11 Ca -0.08 0.09 0.07 0.00 -1.00 0.00 0.00 55.97 55.05 3d48 s LYS 11 Cb 0.11 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 3d48 s LYS 11 CO 0.87 -0.27 -0.16 0.00 0.10 0.00 0.00 175.35 175.89 3d48 s ARG 13 N -2.84 0.64 -0.13 0.00 3.52 -0.14 -4.91 118.95 115.08 3d48 s ARG 13 Ca 0.14 0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 56.36 3d48 s ARG 13 Cb -0.05 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 3d48 s ARG 13 CO 0.05 -0.09 -0.10 0.45 -0.81 0.00 0.00 175.30 174.80 3d48 s SER 14 N 0.09 4.31 0.00 -2.12 0.15 0.15 -1.78 113.70 114.49 3d48 s SER 14 Ca -0.02 -0.23 0.25 0.00 0.70 0.00 0.00 55.95 56.66 3d48 s SER 14 Cb -0.04 -1.59 0.57 0.00 -1.71 0.00 0.00 66.02 63.25 3d48 s SER 14 CO 0.01 0.19 1.46 -0.81 1.20 0.00 0.00 173.24 175.29 3d48 n PRO 15 N 3.36 0.10 -0.61 5.44 -0.04 -1.26 -1.43 135.00 140.55 3d48 n PRO 15 Ca -0.18 -0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.21 3d48 n PRO 15 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 3d48 n PRO 15 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3d48 n ASN 16 N -1.40 -0.17 -0.64 3.54 0.23 -1.26 -4.08 115.26 111.47 3d48 n ASN 16 Ca 0.06 -1.28 -0.06 0.00 -0.53 0.00 0.00 54.58 52.77 3d48 n ASN 16 Cb 0.34 0.04 -0.03 0.00 -2.08 0.00 0.00 39.78 38.05 3d48 n ASN 16 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3d48 n LYS 17 N 0.01 -1.68 -0.00 -3.83 5.02 -1.26 -4.71 118.16 111.70 3d48 n LYS 17 Ca -0.05 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 3d48 n LYS 17 Cb 0.56 -4.56 -0.01 0.00 -0.02 0.00 0.00 35.03 31.01 3d48 n LYS 17 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3d48 n GLU 18 N -0.51 1.78 -4.37 1.97 1.02 -1.26 -4.87 120.64 114.40 3d48 n GLU 18 Ca -0.06 -0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.89 3d48 n GLU 18 Cb 0.38 -1.02 -0.10 0.00 -0.02 0.00 0.00 31.44 30.68 3d48 n GLU 18 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3d48 s THR 19 N -2.05 0.78 0.30 2.62 -4.23 -1.26 -3.53 115.64 108.28 3d48 s THR 19 Ca -0.00 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 3d48 s THR 19 Cb 0.00 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.18 3d48 s THR 19 CO 0.04 0.00 0.71 0.72 -0.54 0.00 0.00 174.62 175.55 3d48 s PHE 20 N -3.58 -0.05 -0.06 3.99 -0.12 -0.57 -4.12 117.98 113.48 3d48 s PHE 20 Ca 0.37 -0.45 -0.06 0.00 -0.05 0.00 0.00 56.93 56.74 3d48 s PHE 20 Cb 0.08 0.68 0.02 0.00 -0.63 0.00 0.00 43.02 43.17 3d48 s PHE 20 CO 0.14 -1.29 0.17 0.99 -0.05 0.00 0.00 175.22 175.18 3d48 s THR 21 N -3.54 -0.00 0.40 -4.49 2.01 -0.74 -0.22 115.64 109.07 3d48 s THR 21 Ca 0.13 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.22 3d48 s THR 21 Cb -0.05 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.14 3d48 s THR 21 CO 0.08 0.00 0.04 0.00 -0.69 0.00 0.00 174.62 174.06 3d48 s TRP 23 N -2.67 -0.17 0.14 0.00 0.51 -0.41 -1.27 118.94 115.06 3d48 s TRP 23 Ca 0.36 0.41 0.04 0.00 -2.12 0.00 0.00 56.10 54.79 3d48 s TRP 23 Cb 0.08 0.05 -0.04 0.00 -0.81 0.00 0.00 33.47 32.75 3d48 s TRP 23 CO 0.19 -0.13 -0.10 1.67 -0.51 0.00 0.00 176.95 178.07 3d48 s TRP 24 N -0.14 1.20 -0.08 -1.98 -2.14 0.28 -0.44 118.94 115.64 3d48 s TRP 24 Ca -0.02 -0.78 0.01 0.00 2.66 0.00 0.00 56.10 57.97 3d48 s TRP 24 Cb -0.02 -0.62 -0.03 0.00 -3.10 0.00 0.00 33.47 29.70 3d48 s TRP 24 CO 0.01 0.05 -0.10 1.03 -2.66 0.00 0.00 176.95 175.27 3d48 s ARG 25 N -3.72 2.90 0.97 3.25 0.52 -0.13 -4.78 118.95 117.97 3d48 s ARG 25 Ca 0.15 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 54.63 3d48 s ARG 25 Cb 0.03 -2.57 0.10 0.00 0.52 0.00 0.00 34.95 33.02 3d48 s ARG 25 CO -0.00 0.52 0.66 -2.30 0.02 0.00 0.00 175.30 174.20 3d48 n PRO 26 N 2.64 -0.60 -3.26 3.54 -0.02 -1.26 -2.73 135.00 133.31 3d48 n PRO 26 Ca -0.18 -0.13 -0.31 0.00 -2.02 0.00 0.00 63.50 60.87 3d48 n PRO 26 Cb 0.53 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 3d48 n PRO 26 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3d48 s GLY 27 N -2.24 2.14 -0.20 -1.23 0.00 -1.25 -4.77 107.32 99.77 3d48 s GLY 27 Ca 0.61 -0.27 -0.38 0.00 0.00 0.00 0.00 44.72 44.68 3d48 s GLY 27 CO 0.64 -0.12 1.15 -0.37 0.00 0.00 0.00 173.10 174.39 3d48 n THR 28 N -0.54 0.00 -0.65 0.90 5.66 -1.24 -4.08 114.28 114.33 3d48 n THR 28 Ca 0.01 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.75 3d48 n THR 28 Cb 0.53 -0.20 -0.04 0.00 -1.55 0.00 0.00 70.33 69.07 3d48 n THR 28 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3d48 n ASP 29 N 2.32 0.09 -1.74 1.09 8.00 -1.26 -4.14 116.55 120.91 3d48 n ASP 29 Ca 0.22 0.49 -0.01 0.00 0.71 0.00 0.00 54.79 56.20 3d48 n ASP 29 Cb 0.01 -0.39 0.01 0.00 -0.02 0.00 0.00 41.12 40.74 3d48 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d48 n GLY 30 N 0.83 1.18 3.75 0.44 0.00 -1.26 -4.51 105.19 105.62 3d48 n GLY 30 Ca 0.09 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 3d48 n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d48 s GLY 31 N -2.26 1.57 -0.42 -0.02 0.00 -0.69 -4.77 107.32 100.73 3d48 s GLY 31 Ca 0.07 -0.48 -0.28 0.00 0.00 0.00 0.00 44.72 44.04 3d48 s GLY 31 CO 0.02 0.11 1.81 -2.27 0.00 0.00 0.00 173.10 172.77 3d48 s LEU 32 N -6.19 3.45 0.00 0.66 1.98 -1.26 -4.12 118.68 113.20 3d48 s LEU 32 Ca 0.64 0.99 -0.30 0.00 -2.89 0.00 0.00 54.13 52.57 3d48 s LEU 32 Cb -0.16 -3.20 -0.09 0.00 0.66 0.00 0.00 46.19 43.40 3d48 s LEU 32 CO 0.55 -1.92 1.99 -0.81 -1.89 0.00 0.00 176.35 174.27 3d48 n PRO 33 N 8.64 2.72 -0.03 0.98 -0.04 -1.26 -4.85 135.00 141.17 3d48 n PRO 33 Ca 0.22 0.98 -0.13 0.00 -0.04 0.00 0.00 63.50 64.54 3d48 n PRO 33 Cb 0.49 -3.00 -0.08 0.00 -0.04 0.00 0.00 33.50 30.86 3d48 n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d48 h THR 34 N 5.76 1.33 -3.94 0.52 1.03 -1.76 -3.47 112.91 112.38 3d48 h THR 34 Ca -0.49 -1.06 -0.57 0.00 -0.01 0.00 0.00 66.41 64.28 3d48 h THR 34 Cb 1.24 1.93 -0.22 0.00 -1.07 0.00 0.00 68.15 70.03 3d48 h THR 34 CO 0.94 0.29 -0.83 0.21 -0.01 0.00 0.00 175.52 176.12 3d48 s ASN 35 N -5.77 2.60 0.04 0.00 2.47 -0.98 -5.02 114.94 108.28 3d48 s ASN 35 Ca -0.15 -0.68 0.07 0.00 0.42 0.00 0.00 52.86 52.52 3d48 s ASN 35 Cb 0.03 -0.15 -0.03 0.00 -1.45 0.00 0.00 41.25 39.65 3d48 s ASN 35 CO 0.70 0.08 -0.20 -0.31 -3.72 0.00 0.00 177.10 173.65 3d48 s TYR 36 N -1.13 2.52 -0.02 0.43 2.02 -1.26 -1.33 117.35 118.58 3d48 s TYR 36 Ca 0.07 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3d48 s TYR 36 Cb -0.10 -1.46 0.02 0.00 -0.40 0.00 0.00 41.96 40.02 3d48 s TYR 36 CO 0.04 0.22 0.01 0.45 -1.57 0.00 0.00 175.55 174.70 3d48 s SER 37 N -1.36 0.21 -0.22 2.29 0.15 0.97 -4.97 113.70 110.78 3d48 s SER 37 Ca 0.14 -0.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.77 3d48 s SER 37 Cb -0.10 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 3d48 s SER 37 CO 0.04 -0.07 -0.09 -0.22 1.20 0.00 0.00 173.24 174.10 3d48 s LEU 38 N 0.72 2.76 0.20 3.45 1.98 -1.26 0.16 118.68 126.68 3d48 s LEU 38 Ca -0.06 -0.59 0.10 0.00 -2.89 0.00 0.00 54.13 50.69 3d48 s LEU 38 Cb -0.09 -1.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.07 3d48 s LEU 38 CO -0.02 -0.04 -0.21 0.42 -1.89 0.00 0.00 176.35 174.61 3d48 s THR 39 N 1.39 2.16 0.08 3.68 -4.23 0.68 0.45 115.64 119.84 3d48 s THR 39 Ca 0.04 -2.06 -0.23 0.00 -1.18 0.00 0.00 61.69 58.26 3d48 s THR 39 Cb -0.15 -2.05 0.06 0.00 1.34 0.00 0.00 72.50 71.70 3d48 s THR 39 CO -0.06 -0.25 0.56 -0.72 -0.54 0.00 0.00 174.62 173.61 3d48 s TYR 40 N -1.99 -0.48 0.32 3.99 1.13 -0.40 -0.21 117.35 119.71 3d48 s TYR 40 Ca 0.21 0.48 0.08 0.00 -1.41 0.00 0.00 57.07 56.42 3d48 s TYR 40 Cb -0.06 0.42 -0.06 0.00 -1.10 0.00 0.00 41.96 41.15 3d48 s TYR 40 CO 0.09 -0.71 -0.07 -3.38 -2.51 0.00 0.00 175.55 168.97 3d48 s HIS 41 N -2.80 2.22 0.11 -3.49 -3.43 -0.30 0.10 115.29 107.70 3d48 s HIS 41 Ca -0.03 -0.61 0.06 0.00 -0.80 0.00 0.00 55.06 53.68 3d48 s HIS 41 Cb -0.00 -1.30 -0.04 0.00 -1.43 0.00 0.00 32.58 29.81 3d48 s HIS 41 CO -0.04 0.43 -0.03 1.03 -2.00 0.00 0.00 174.74 174.13 3d48 s ARG 42 N -3.67 2.38 0.45 -0.38 0.52 -1.26 0.54 118.95 117.53 3d48 s ARG 42 Ca 0.32 -0.95 -0.23 0.00 -0.52 0.00 0.00 55.73 54.34 3d48 s ARG 42 Cb 0.04 -2.43 -0.07 0.00 0.52 0.00 0.00 34.95 33.00 3d48 s ARG 42 CO 0.15 0.51 1.17 -1.83 0.02 0.00 0.00 175.30 175.32 3d48 s GLU 43 N -2.40 3.78 -0.26 3.54 -1.05 -0.88 -3.73 118.70 117.69 3d48 s GLU 43 Ca 0.25 1.80 -0.01 0.00 -0.15 0.00 0.00 54.97 56.86 3d48 s GLU 43 Cb -0.11 -2.44 -0.02 0.00 -0.44 0.00 0.00 34.13 31.12 3d48 s GLU 43 CO 0.17 -0.54 0.23 0.41 0.95 0.00 0.00 175.26 176.48 3d48 n GLY 44 N 0.48 0.24 0.00 -3.83 0.00 -1.26 -4.85 105.19 95.96 3d48 n GLY 44 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3d48 n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d48 n GLU 45 N -1.85 0.00 -0.08 1.61 1.02 -1.24 -5.07 120.64 115.03 3d48 n GLU 45 Ca -0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.02 3d48 n GLU 45 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.86 3d48 n GLU 45 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3d48 n THR 46 N -0.71 0.95 -1.62 2.62 -2.24 -1.26 -4.63 114.28 107.39 3d48 n THR 46 Ca 0.00 -0.43 -0.61 0.00 -2.27 0.00 0.00 64.05 60.74 3d48 n THR 46 Cb 0.00 -0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 67.18 3d48 n THR 46 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3d48 n LEU 47 N -2.84 0.86 -4.73 3.22 0.00 -1.26 -4.98 117.00 107.27 3d48 n LEU 47 Ca -0.27 1.16 -0.36 0.00 0.00 0.00 0.00 56.01 56.53 3d48 n LEU 47 Cb 0.85 -0.96 -0.07 0.00 0.00 0.00 0.00 43.42 43.24 3d48 n LEU 47 CO 0.20 -1.28 -0.05 -0.32 0.00 0.00 0.00 177.39 175.95 3d48 s MET 48 N 1.47 4.24 0.28 1.96 -2.45 -1.26 -4.63 119.30 118.92 3d48 s MET 48 Ca 0.96 0.04 0.09 0.00 -1.25 0.00 0.00 55.69 55.52 3d48 s MET 48 Cb -1.29 -3.42 -0.04 0.00 1.25 0.00 0.00 34.83 31.32 3d48 s MET 48 CO 0.65 0.25 0.08 -1.01 1.05 0.00 0.00 175.02 176.05 3d48 s HIS 49 N 0.45 2.79 0.16 4.11 3.76 0.12 -4.95 115.29 121.72 3d48 s HIS 49 Ca 0.15 -0.24 0.10 0.00 -0.15 0.00 0.00 55.06 54.92 3d48 s HIS 49 Cb -0.13 -1.36 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 3d48 s HIS 49 CO 0.03 0.52 -0.18 -1.83 -0.85 0.00 0.00 174.74 172.43 3d48 s GLU 50 N -3.76 1.77 -0.19 1.40 -1.05 -1.26 -1.27 118.70 114.34 3d48 s GLU 50 Ca 0.34 -1.30 -0.29 0.00 -0.15 0.00 0.00 54.97 53.56 3d48 s GLU 50 Cb -0.06 -2.05 -0.13 0.00 -0.44 0.00 0.00 34.13 31.46 3d48 s GLU 50 CO 0.22 0.44 0.90 0.00 0.95 0.00 0.00 175.26 177.78 3d48 n PRO 52 N 1.92 0.15 -3.15 0.00 -0.04 -1.26 -4.80 135.00 127.81 3d48 n PRO 52 Ca 0.17 0.25 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 3d48 n PRO 52 Cb 0.00 -1.72 -0.00 0.00 -0.04 0.00 0.00 33.50 31.74 3d48 n PRO 52 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3d48 s ASP 53 N -3.89 -1.10 0.00 3.54 -1.08 -1.25 -5.02 116.67 107.88 3d48 s ASP 53 Ca 0.09 0.25 0.23 0.00 -0.52 0.00 0.00 52.55 52.60 3d48 s ASP 53 Cb 0.12 1.74 0.16 0.00 -1.46 0.00 0.00 42.92 43.49 3d48 s ASP 53 CO 0.46 -0.20 1.18 -1.22 0.52 0.00 0.00 175.17 175.91 3d48 n TYR 54 N 5.33 0.00 -0.05 -5.34 4.02 -1.26 -1.58 117.16 118.28 3d48 n TYR 54 Ca 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.90 3d48 n TYR 54 Cb 0.55 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.79 3d48 n TYR 54 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3d48 h ILE 55 N 1.05 0.00 0.00 -0.72 1.08 -1.85 -3.39 117.51 113.68 3d48 h ILE 55 Ca 0.00 -0.75 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 3d48 h ILE 55 Cb 0.59 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.34 3d48 h ILE 55 CO 0.00 0.00 -0.00 0.71 -0.69 0.00 0.00 178.15 178.17 3d48 h THR 56 N -0.75 0.46 0.00 -0.27 1.35 -1.94 1.25 112.91 113.02 3d48 h THR 56 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3d48 h THR 56 Cb 0.34 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3d48 h THR 56 CO 0.00 0.00 -0.30 0.61 -0.25 0.00 0.00 175.52 175.58 3d48 n GLY 57 N -1.27 -1.40 5.09 5.82 0.00 -1.26 -5.05 105.19 107.12 3d48 n GLY 57 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3d48 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d48 n GLY 58 N 1.46 -1.57 2.93 -0.02 0.00 0.43 -4.82 105.19 103.59 3d48 n GLY 58 Ca 0.06 -1.49 -0.48 0.00 0.00 0.00 0.00 46.02 44.11 3d48 n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d48 n PRO 59 N 0.00 0.00 -4.31 1.61 -0.01 -1.26 -3.42 135.00 127.62 3d48 n PRO 59 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 63.50 63.18 3d48 n PRO 59 Cb 0.00 -1.17 -0.09 0.00 -0.01 0.00 0.00 33.50 32.23 3d48 n PRO 59 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 3d48 n ASN 60 N 1.36 0.71 -3.95 2.55 3.02 -1.26 -4.90 115.26 112.79 3d48 n ASN 60 Ca 0.16 -1.26 -0.10 0.00 -0.03 0.00 0.00 54.58 53.36 3d48 n ASN 60 Cb 0.10 -1.70 -0.11 0.00 -0.61 0.00 0.00 39.78 37.46 3d48 n ASN 60 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3d48 s SER 61 N -4.33 0.17 -0.14 6.41 1.04 -1.22 -0.55 113.70 115.08 3d48 s SER 61 Ca 0.05 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.10 3d48 s SER 61 Cb -0.03 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.23 3d48 s SER 61 CO 0.99 -0.29 -0.18 0.00 0.98 0.00 0.00 173.24 174.74 3d48 s HIS 63 N 1.10 3.03 -0.45 0.00 5.04 -0.62 -0.99 115.29 122.41 3d48 s HIS 63 Ca -0.02 -0.62 -0.16 0.00 -1.54 0.00 0.00 55.06 52.72 3d48 s HIS 63 Cb -0.14 -2.15 0.04 0.00 0.04 0.00 0.00 32.58 30.37 3d48 s HIS 63 CO -0.06 -0.40 0.41 -0.06 -2.34 0.00 0.00 174.74 172.29 3d48 s PHE 64 N 1.41 3.20 1.32 3.88 0.40 0.69 -3.90 117.98 124.98 3d48 s PHE 64 Ca 0.05 -0.65 -0.20 0.00 -0.60 0.00 0.00 56.93 55.53 3d48 s PHE 64 Cb -0.15 -3.00 0.33 0.00 0.51 0.00 0.00 43.02 40.72 3d48 s PHE 64 CO 0.01 -0.75 0.99 0.20 0.70 0.00 0.00 175.22 176.36 3d48 s GLY 65 N 2.17 1.47 0.40 4.36 0.00 -1.26 -1.51 107.32 112.96 3d48 s GLY 65 Ca 0.08 -0.71 0.28 0.00 0.00 0.00 0.00 44.72 44.36 3d48 s GLY 65 CO 0.10 0.21 1.81 0.07 0.00 0.00 0.00 173.10 175.29 3d48 h LYS 66 N -3.07 0.00 0.00 2.90 2.10 -1.91 -0.24 116.57 116.35 3d48 h LYS 66 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3d48 h LYS 66 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3d48 h LYS 66 CO 0.35 0.00 0.00 0.94 -2.00 0.00 0.00 179.45 178.74 3d48 n GLN 67 N -2.74 0.14 -0.07 0.07 7.27 -1.26 -3.07 117.38 117.72 3d48 n GLN 67 Ca 0.02 0.33 0.02 0.00 0.07 0.00 0.00 57.00 57.45 3d48 n GLN 67 Cb 0.35 -1.75 0.03 0.00 2.41 0.00 0.00 30.24 31.28 3d48 n GLN 67 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3d48 n TYR 68 N -2.01 0.00 -4.29 3.69 4.01 -0.14 -5.01 117.16 113.41 3d48 n TYR 68 Ca 0.03 -0.41 -0.33 0.00 -0.16 0.00 0.00 57.90 57.03 3d48 n TYR 68 Cb 0.24 -0.06 -0.15 0.00 -0.31 0.00 0.00 39.34 39.06 3d48 n TYR 68 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3d48 s THR 69 N -0.98 2.48 -0.03 -0.72 2.01 -0.94 -4.88 115.64 112.59 3d48 s THR 69 Ca 0.06 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.32 3d48 s THR 69 Cb 0.05 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 3d48 s THR 69 CO 0.01 0.51 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.77 3d48 s SER 70 N 1.10 2.81 0.48 3.53 0.01 -1.26 -4.92 113.70 115.45 3d48 s SER 70 Ca 0.00 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 56.70 3d48 s SER 70 Cb -0.14 -0.50 -0.06 0.00 0.21 0.00 0.00 66.02 65.53 3d48 s SER 70 CO -0.06 0.26 0.87 -0.04 0.41 0.00 0.00 173.24 174.69 3d48 s MET 71 N -0.38 3.76 -1.31 12.44 -1.94 -1.26 -4.42 119.30 126.18 3d48 s MET 71 Ca 0.04 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 3d48 s MET 71 Cb -0.11 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.46 3d48 s MET 71 CO 0.01 -0.21 0.00 0.91 -0.01 0.00 0.00 175.02 175.71 3d48 n TRP 72 N -1.76 -0.13 -3.85 -0.03 8.01 -1.26 -5.00 117.44 113.43 3d48 n TRP 72 Ca 0.04 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 56.06 3d48 n TRP 72 Cb 0.54 -2.44 -0.16 0.00 -2.01 0.00 0.00 31.31 27.24 3d48 n TRP 72 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 3d48 s ARG 73 N -3.41 0.18 0.35 -0.99 3.52 -1.26 -5.10 118.95 112.23 3d48 s ARG 73 Ca 0.00 0.14 -0.28 0.00 -0.13 0.00 0.00 55.73 55.47 3d48 s ARG 73 Cb 0.00 -0.45 -0.10 0.00 -1.56 0.00 0.00 34.95 32.85 3d48 s ARG 73 CO 0.00 -0.18 1.24 0.99 -0.81 0.00 0.00 175.30 176.55 3d48 s THR 74 N 1.21 2.92 -0.18 4.11 2.01 -1.26 -4.50 115.64 119.96 3d48 s THR 74 Ca -0.07 0.88 -0.04 0.00 0.31 0.00 0.00 61.69 62.77 3d48 s THR 74 Cb -0.13 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3d48 s THR 74 CO -0.02 0.17 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.73 3d48 s TYR 75 N -1.22 2.99 -0.28 4.92 1.51 0.19 -2.07 117.35 123.39 3d48 s TYR 75 Ca 0.51 -0.51 -0.09 0.00 -1.01 0.00 0.00 57.07 55.97 3d48 s TYR 75 Cb -0.36 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 3d48 s TYR 75 CO 0.47 -0.22 0.14 0.42 -1.11 0.00 0.00 175.55 175.26 3d48 s ILE 76 N 0.78 4.78 0.11 2.71 1.09 0.19 -1.10 121.20 129.75 3d48 s ILE 76 Ca -0.01 -0.11 0.09 0.00 -1.10 0.00 0.00 60.65 59.51 3d48 s ILE 76 Cb -0.14 -3.31 -0.04 0.00 -1.06 0.00 0.00 42.46 37.91 3d48 s ILE 76 CO 0.02 0.22 -0.22 -0.04 -0.10 0.00 0.00 174.94 174.82 3d48 s MET 77 N 1.67 1.19 -0.04 2.79 -1.94 0.38 -1.15 119.30 122.20 3d48 s MET 77 Ca 0.06 -1.20 -0.03 0.00 -1.71 0.00 0.00 55.69 52.81 3d48 s MET 77 Cb -0.16 -1.51 0.01 0.00 2.01 0.00 0.00 34.83 35.19 3d48 s MET 77 CO 0.07 0.35 0.11 -1.64 -0.01 0.00 0.00 175.02 173.90 3d48 s MET 78 N -1.92 0.11 -0.13 2.03 -1.94 0.70 -0.39 119.30 117.77 3d48 s MET 78 Ca 0.08 0.18 -0.04 0.00 -1.71 0.00 0.00 55.69 54.20 3d48 s MET 78 Cb -0.10 0.01 -0.03 0.00 2.01 0.00 0.00 34.83 36.72 3d48 s MET 78 CO 0.05 -0.04 0.01 0.08 -0.01 0.00 0.00 175.02 175.10 3d48 s VAL 79 N 0.25 4.34 -0.22 -6.03 1.01 -1.26 -0.23 120.40 118.26 3d48 s VAL 79 Ca -0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 3d48 s VAL 79 Cb -0.03 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3d48 s VAL 79 CO -0.01 0.54 0.12 0.20 0.00 0.00 0.00 175.10 175.95 3d48 s ASN 80 N -0.22 5.88 -0.20 3.32 -0.87 0.41 0.01 114.94 123.28 3d48 s ASN 80 Ca 0.06 0.08 -0.06 0.00 -1.57 0.00 0.00 52.86 51.37 3d48 s ASN 80 Cb -0.12 -2.04 -0.03 0.00 -0.02 0.00 0.00 41.25 39.04 3d48 s ASN 80 CO 0.02 0.10 0.02 0.00 -2.57 0.00 0.00 177.10 174.67 3d48 s ALA 81 N 0.82 3.11 0.02 0.60 0.00 0.11 -0.02 121.76 126.41 3d48 s ALA 81 Ca 0.06 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.12 3d48 s ALA 81 Cb -0.13 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 3d48 s ALA 81 CO 0.02 -0.10 -0.14 0.95 0.00 0.00 0.00 175.76 176.49 3d48 s THR 82 N 0.91 1.12 0.34 0.00 -4.23 -0.44 -0.98 115.64 112.35 3d48 s THR 82 Ca 0.02 -0.88 0.10 0.00 -1.18 0.00 0.00 61.69 59.75 3d48 s THR 82 Cb -0.14 -0.99 -0.06 0.00 1.34 0.00 0.00 72.50 72.65 3d48 s THR 82 CO 0.02 0.10 -0.11 0.20 -0.54 0.00 0.00 174.62 174.30 3d48 s ASN 83 N -0.89 3.71 0.58 3.99 0.01 0.20 -1.98 114.94 120.56 3d48 s ASN 83 Ca 0.03 -1.18 0.28 0.00 -0.71 0.00 0.00 52.86 51.28 3d48 s ASN 83 Cb -0.07 -0.34 1.54 0.00 0.41 0.00 0.00 41.25 42.79 3d48 s ASN 83 CO 0.01 -0.18 2.02 0.06 -1.51 0.00 0.00 177.10 177.50 3d48 h GLN 84 N 2.05 0.00 0.00 -0.60 3.07 -1.93 -2.57 115.11 115.14 3d48 h GLN 84 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 3d48 h GLN 84 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 3d48 h GLN 84 CO 0.69 0.00 -0.74 0.52 0.09 0.00 0.00 178.83 179.39 3d48 h MET 85 N 0.00 0.00 0.00 0.06 2.86 -1.94 -3.50 114.93 112.40 3d48 h MET 85 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3d48 h MET 85 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3d48 h MET 85 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 3d48 n GLY 86 N 1.22 -0.81 3.51 8.32 0.00 -0.97 -4.72 105.19 111.74 3d48 n GLY 86 Ca 0.02 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 3d48 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d48 s SER 87 N -4.00 -0.50 0.05 1.61 1.04 -1.26 0.61 113.70 111.25 3d48 s SER 87 Ca 0.00 0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.73 3d48 s SER 87 Cb 0.00 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3d48 s SER 87 CO 0.00 -0.61 0.06 -0.94 0.98 0.00 0.00 173.24 172.73 3d48 s SER 88 N -1.75 0.29 -0.16 7.02 1.04 -0.15 -4.89 113.70 115.10 3d48 s SER 88 Ca -0.03 -0.73 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 3d48 s SER 88 Cb -0.01 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 3d48 s SER 88 CO -0.01 -0.58 0.05 -0.36 0.98 0.00 0.00 173.24 173.32 3d48 s PHE 89 N -3.30 3.24 1.00 5.02 0.40 -1.26 0.08 117.98 123.16 3d48 s PHE 89 Ca 0.01 0.09 -0.11 0.00 -0.60 0.00 0.00 56.93 56.31 3d48 s PHE 89 Cb 0.03 -2.00 0.19 0.00 0.51 0.00 0.00 43.02 41.75 3d48 s PHE 89 CO -0.08 0.23 1.09 -1.54 0.70 0.00 0.00 175.22 175.62 3d48 s SER 90 N 0.04 2.36 0.66 1.36 1.04 0.10 -4.62 113.70 114.64 3d48 s SER 90 Ca 0.05 1.78 -0.17 0.00 0.48 0.00 0.00 55.95 58.08 3d48 s SER 90 Cb -0.12 -2.39 -0.00 0.00 0.10 0.00 0.00 66.02 63.61 3d48 s SER 90 CO 0.01 -3.38 1.24 -1.81 0.98 0.00 0.00 173.24 170.28 3d48 s ASP 91 N -2.80 4.63 0.33 7.02 1.01 -1.26 -4.73 116.67 120.88 3d48 s ASP 91 Ca 0.66 2.47 -0.29 0.00 0.71 0.00 0.00 52.55 56.11 3d48 s ASP 91 Cb -0.22 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 40.99 3d48 s ASP 91 CO 0.60 -1.97 1.53 -0.62 0.21 0.00 0.00 175.17 174.92 3d48 n GLU 92 N -2.08 2.65 -4.34 8.23 1.02 -1.26 -4.71 120.64 120.15 3d48 n GLU 92 Ca 0.14 0.94 -0.33 0.00 -0.02 0.00 0.00 57.16 57.89 3d48 n GLU 92 Cb 0.49 -2.68 -0.15 0.00 -0.02 0.00 0.00 31.44 29.08 3d48 n GLU 92 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3d48 s LEU 93 N -1.22 2.44 -0.31 -4.62 2.96 0.48 -4.92 118.68 113.49 3d48 s LEU 93 Ca 0.59 -0.51 -0.18 0.00 -0.22 0.00 0.00 54.13 53.81 3d48 s LEU 93 Cb -0.49 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3d48 s LEU 93 CO 0.56 0.05 0.51 -0.31 -1.32 0.00 0.00 176.35 175.84 3d48 s TYR 94 N 1.04 3.21 -0.05 5.38 1.51 -1.26 -0.47 117.35 126.71 3d48 s TYR 94 Ca -0.01 0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 56.34 3d48 s TYR 94 Cb -0.15 -2.84 0.01 0.00 -0.11 0.00 0.00 41.96 38.88 3d48 s TYR 94 CO -0.04 -0.43 0.16 0.54 -1.11 0.00 0.00 175.55 174.67 3d48 s VAL 95 N 2.36 0.02 -0.07 0.71 0.11 -0.26 -4.96 120.40 118.31 3d48 s VAL 95 Ca 0.19 -0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 59.06 3d48 s VAL 95 Cb -0.15 -0.30 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3d48 s VAL 95 CO 0.12 -0.10 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.14 3d48 s ASP 96 N -0.29 1.40 0.37 3.54 -1.08 -1.26 0.55 116.67 119.89 3d48 s ASP 96 Ca -0.04 -0.13 0.05 0.00 -0.52 0.00 0.00 52.55 51.91 3d48 s ASP 96 Cb -0.03 -0.49 0.74 0.00 -1.46 0.00 0.00 42.92 41.67 3d48 s ASP 96 CO 0.01 -0.13 2.01 0.58 0.52 0.00 0.00 175.17 178.16 3d48 h VAL 97 N 6.23 1.10 -0.99 1.11 2.07 -1.82 -2.57 116.25 121.37 3d48 h VAL 97 Ca -0.28 -0.25 0.20 0.00 0.82 0.00 0.00 66.70 67.18 3d48 h VAL 97 Cb 1.14 0.30 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 3d48 h VAL 97 CO 0.36 0.13 0.61 0.74 0.02 0.00 0.00 177.57 179.44 3d48 h THR 98 N 0.74 0.68 -0.45 2.57 2.02 -1.93 -2.85 112.91 113.68 3d48 h THR 98 Ca 0.23 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3d48 h THR 98 Cb 0.02 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 3d48 h THR 98 CO -0.06 0.13 0.00 -1.22 0.37 0.00 0.00 175.52 174.74 3d48 n TYR 99 N -4.72 1.53 -2.33 3.16 0.53 -0.97 -4.43 117.16 109.93 3d48 n TYR 99 Ca 0.23 -0.77 -0.07 0.00 -1.02 0.00 0.00 57.90 56.27 3d48 n TYR 99 Cb 0.62 -0.40 0.06 0.00 -1.03 0.00 0.00 39.34 38.59 3d48 n TYR 99 CO 0.00 0.00 0.00 0.44 -1.02 0.00 0.00 176.86 176.28 3d48 n ILE 100 N 0.22 1.66 -3.25 -0.72 -5.35 -1.08 -5.01 119.36 105.84 3d48 n ILE 100 Ca 0.25 -3.14 -0.39 0.00 -0.27 0.00 0.00 62.75 59.19 3d48 n ILE 100 Cb 1.03 0.18 -0.07 0.00 -1.74 0.00 0.00 39.64 39.05 3d48 n ILE 100 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3d48 s VAL 101 N -3.45 5.11 -0.25 7.28 1.01 -1.26 0.31 120.40 129.15 3d48 s VAL 101 Ca 0.38 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 3d48 s VAL 101 Cb 0.37 -3.84 0.14 0.00 0.00 0.00 0.00 36.38 33.04 3d48 s VAL 101 CO -0.04 0.18 0.36 -1.58 0.00 0.00 0.00 175.10 174.03 3d48 s GLN 102 N 1.58 0.35 0.73 2.72 0.74 -0.52 -0.62 119.66 124.64 3d48 s GLN 102 Ca 0.24 0.38 -0.11 0.00 0.05 0.00 0.00 55.36 55.92 3d48 s GLN 102 Cb -0.15 -0.52 0.03 0.00 1.10 0.00 0.00 33.01 33.46 3d48 s GLN 102 CO 0.10 -0.74 1.09 -1.25 -0.55 0.00 0.00 175.29 173.94 3d48 s PRO 103 N 2.51 2.66 1.17 1.67 0.04 -1.26 -4.30 135.00 137.49 3d48 s PRO 103 Ca 0.11 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 3d48 s PRO 103 Cb -0.15 -1.99 0.20 0.00 0.04 0.00 0.00 34.50 32.60 3d48 s PRO 103 CO -0.19 -1.20 0.37 -0.25 0.04 0.00 0.00 177.00 175.77 3d48 n ASP 104 N -3.13 -2.59 -4.90 6.66 8.00 -1.26 -4.19 116.55 115.14 3d48 n ASP 104 Ca 0.07 -0.28 -0.28 0.00 0.71 0.00 0.00 54.79 55.00 3d48 n ASP 104 Cb 0.57 -0.99 0.03 0.00 -0.02 0.00 0.00 41.12 40.70 3d48 n ASP 104 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3d48 s PRO 105 N -3.84 3.02 0.76 -0.24 0.02 -1.26 -4.70 135.00 128.75 3d48 s PRO 105 Ca 0.57 0.24 -0.13 0.00 0.02 0.00 0.00 61.00 61.70 3d48 s PRO 105 Cb -0.14 -2.18 0.06 0.00 0.02 0.00 0.00 34.50 32.26 3d48 s PRO 105 CO 0.60 -0.75 1.15 -2.14 -0.33 0.00 0.00 177.00 175.52 3d48 s PRO 106 N -5.11 2.05 0.15 5.54 0.02 -1.26 -4.09 135.00 132.30 3d48 s PRO 106 Ca 0.55 1.52 0.06 0.00 0.02 0.00 0.00 61.00 63.15 3d48 s PRO 106 Cb -0.11 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 3d48 s PRO 106 CO 0.48 -1.86 0.07 -0.51 -0.33 0.00 0.00 177.00 174.86 3d48 s LEU 107 N -5.57 3.61 -1.44 -5.54 1.43 -0.76 -4.81 118.68 105.60 3d48 s LEU 107 Ca 0.69 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 3d48 s LEU 107 Cb -0.24 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.79 3d48 s LEU 107 CO 0.49 0.10 0.96 -0.62 0.23 0.00 0.00 176.35 177.51 3d48 n GLU 108 N -0.11 -5.88 -1.54 1.70 1.02 -1.26 -0.79 120.64 113.79 3d48 n GLU 108 Ca -0.09 0.65 -0.43 0.00 -0.02 0.00 0.00 57.16 57.27 3d48 n GLU 108 Cb 0.54 -5.51 -0.05 0.00 -0.02 0.00 0.00 31.44 26.41 3d48 n GLU 108 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3d48 n LEU 109 N -4.64 2.60 -4.60 -4.62 0.00 -1.25 -4.44 117.00 100.04 3d48 n LEU 109 Ca -0.05 0.09 -0.32 0.00 0.00 0.00 0.00 56.01 55.73 3d48 n LEU 109 Cb 0.57 -1.46 -0.10 0.00 0.00 0.00 0.00 43.42 42.43 3d48 n LEU 109 CO 0.72 -0.91 -0.38 0.00 0.00 0.00 0.00 177.39 176.81 3d48 s ALA 110 N 9.02 3.04 -0.15 1.96 0.00 0.11 -4.88 121.76 130.88 3d48 s ALA 110 Ca 1.04 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3d48 s ALA 110 Cb -0.48 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3d48 s ALA 110 CO 0.37 0.62 -0.15 0.08 0.00 0.00 0.00 175.76 176.69 3d48 s VAL 111 N -1.04 1.60 0.20 0.00 1.01 -1.26 -1.17 120.40 119.74 3d48 s VAL 111 Ca 0.18 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3d48 s VAL 111 Cb -0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3d48 s VAL 111 CO 0.09 0.46 0.11 -0.70 0.00 0.00 0.00 175.10 175.06 3d48 s GLU 112 N 1.44 2.75 -0.20 2.72 2.12 -0.15 -4.96 118.70 122.42 3d48 s GLU 112 Ca 0.04 -1.03 0.14 0.00 0.36 0.00 0.00 54.97 54.48 3d48 s GLU 112 Cb -0.13 -2.51 0.41 0.00 0.26 0.00 0.00 34.13 32.16 3d48 s GLU 112 CO -0.10 0.44 1.28 1.55 -0.54 0.00 0.00 175.26 177.88 3d48 n VAL 113 N -0.62 2.19 -3.56 3.70 3.14 -1.26 0.19 118.33 122.11 3d48 n VAL 113 Ca -0.08 -2.65 -0.15 0.00 -2.96 0.00 0.00 64.34 58.50 3d48 n VAL 113 Cb 0.56 -0.26 -0.06 0.00 -1.06 0.00 0.00 33.84 33.02 3d48 n VAL 113 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3d48 s LYS 114 N -3.07 0.87 -1.12 1.45 2.20 -1.26 -4.74 119.74 114.08 3d48 s LYS 114 Ca 0.38 0.39 -0.21 0.00 -0.36 0.00 0.00 55.97 56.16 3d48 s LYS 114 Cb 0.34 0.41 -0.08 0.00 -1.51 0.00 0.00 37.83 37.00 3d48 s LYS 114 CO -0.00 -0.24 1.92 -0.35 -0.36 0.00 0.00 175.35 176.32 3d48 n PRO 121 N 1.27 1.86 -3.79 4.03 -0.04 -1.26 -4.83 135.00 132.24 3d48 n PRO 121 Ca -0.16 -2.45 -0.09 0.00 -0.04 0.00 0.00 63.50 60.77 3d48 n PRO 121 Cb 0.57 -3.49 -0.04 0.00 -0.04 0.00 0.00 33.50 30.50 3d48 n PRO 121 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3d48 s TYR 122 N 8.32 -0.08 -0.05 0.54 1.13 -1.26 -4.85 117.35 121.10 3d48 s TYR 122 Ca 0.63 -0.28 -0.02 0.00 -1.41 0.00 0.00 57.07 55.98 3d48 s TYR 122 Cb 0.04 0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 3d48 s TYR 122 CO 0.12 -0.99 0.07 -0.48 -2.51 0.00 0.00 175.55 171.75 3d48 s LEU 123 N -2.90 3.88 -0.35 -3.49 -0.00 -1.17 -4.63 118.68 110.02 3d48 s LEU 123 Ca 0.11 0.20 0.01 0.00 -0.00 0.00 0.00 54.13 54.45 3d48 s LEU 123 Cb -0.02 -2.09 0.09 0.00 -0.00 0.00 0.00 46.19 44.17 3d48 s LEU 123 CO 0.01 0.33 0.08 0.86 -0.00 0.00 0.00 176.35 177.62 3d48 s TRP 124 N -1.07 3.57 -0.03 3.48 -0.00 0.13 -2.93 118.94 122.10 3d48 s TRP 124 Ca 0.18 -2.54 -0.23 0.00 -0.00 0.00 0.00 56.10 53.51 3d48 s TRP 124 Cb -0.12 -2.79 -0.04 0.00 -0.00 0.00 0.00 33.47 30.51 3d48 s TRP 124 CO 0.08 -0.93 0.70 0.42 -0.00 0.00 0.00 176.95 177.22 3d48 s ILE 125 N 1.06 4.95 -0.01 5.86 1.01 -1.10 -0.98 121.20 131.99 3d48 s ILE 125 Ca 0.05 1.45 0.01 0.00 0.00 0.00 0.00 60.65 62.17 3d48 s ILE 125 Cb -0.21 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.23 3d48 s ILE 125 CO -0.05 0.31 -0.03 -0.54 0.00 0.00 0.00 174.94 174.62 3d48 s LYS 126 N 0.43 0.37 0.35 2.79 1.02 -0.32 -2.56 119.74 121.82 3d48 s LYS 126 Ca 0.37 -0.09 0.08 0.00 0.02 0.00 0.00 55.97 56.34 3d48 s LYS 126 Cb -0.18 -0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 3d48 s LYS 126 CO 0.19 0.02 0.28 1.67 -0.92 0.00 0.00 175.35 176.59 3d48 s TRP 127 N 0.24 1.80 0.18 3.18 -2.14 -1.05 0.08 118.94 121.23 3d48 s TRP 127 Ca -0.02 -1.66 0.08 0.00 2.66 0.00 0.00 56.10 57.16 3d48 s TRP 127 Cb -0.06 -0.76 -0.04 0.00 -3.10 0.00 0.00 33.47 29.51 3d48 s TRP 127 CO -0.00 -0.84 -0.17 -1.12 -2.66 0.00 0.00 176.95 172.16 3d48 s SER 128 N -3.41 2.62 0.63 -2.66 0.01 0.03 -4.83 113.70 106.09 3d48 s SER 128 Ca 0.39 -0.92 -0.18 0.00 1.31 0.00 0.00 55.95 56.56 3d48 s SER 128 Cb 0.02 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 3d48 s SER 128 CO 0.28 -0.09 1.08 -0.81 0.41 0.00 0.00 173.24 174.10 3d48 n PRO 129 N 0.04 0.94 -1.61 12.44 -0.04 -1.26 -1.82 135.00 143.69 3d48 n PRO 129 Ca -0.11 0.37 -0.38 0.00 -0.04 0.00 0.00 63.50 63.33 3d48 n PRO 129 Cb 0.58 -2.30 0.04 0.00 -0.04 0.00 0.00 33.50 31.79 3d48 n PRO 129 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3d48 n PRO 130 N -1.39 1.00 -2.22 0.54 -0.02 -1.26 -4.21 135.00 127.44 3d48 n PRO 130 Ca 0.15 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.65 3d48 n PRO 130 Cb 0.48 -2.13 0.01 0.00 -0.02 0.00 0.00 33.50 31.84 3d48 n PRO 130 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3d48 s THR 131 N -1.47 3.07 -1.09 3.45 -1.32 -1.26 -3.67 115.64 113.35 3d48 s THR 131 Ca 0.72 0.67 0.00 0.00 -1.21 0.00 0.00 61.69 61.87 3d48 s THR 131 Cb -0.45 -3.27 0.00 0.00 -1.51 0.00 0.00 72.50 67.28 3d48 s THR 131 CO 0.50 -0.14 0.00 0.18 -2.21 0.00 0.00 174.62 172.94 3d48 n LEU 132 N -1.35 -0.89 -4.91 9.08 4.77 -1.26 -5.02 117.00 117.42 3d48 n LEU 132 Ca 0.12 0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 56.04 3d48 n LEU 132 Cb 0.51 -1.71 -0.02 0.00 -2.33 0.00 0.00 43.42 39.87 3d48 n LEU 132 CO 0.43 -0.48 0.28 -0.63 -1.33 0.00 0.00 177.39 175.66 3d48 s ILE 133 N -2.42 4.99 -0.46 -0.08 1.01 -1.24 -4.90 121.20 118.10 3d48 s ILE 133 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3d48 s ILE 133 Cb 0.00 -3.80 0.12 0.00 0.01 0.00 0.00 42.46 38.79 3d48 s ILE 133 CO 0.00 -0.55 0.22 -0.62 0.00 0.00 0.00 174.94 173.99 3d48 s ASP 134 N -3.64 4.75 -0.12 3.58 3.68 -1.26 -4.95 116.67 118.71 3d48 s ASP 134 Ca 0.45 -2.58 0.18 0.00 2.13 0.00 0.00 52.55 52.72 3d48 s ASP 134 Cb -0.10 -1.70 -0.24 0.00 -1.45 0.00 0.00 42.92 39.42 3d48 s ASP 134 CO 0.36 -0.35 0.31 0.18 0.13 0.00 0.00 175.17 175.80 3d48 n LEU 135 N 3.74 0.24 0.10 -1.34 4.77 -1.26 -2.34 117.00 120.91 3d48 n LEU 135 Ca 0.04 0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 56.10 3d48 n LEU 135 Cb 0.37 0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.80 3d48 n LEU 135 CO 0.30 0.37 0.32 0.07 -1.33 0.00 0.00 177.39 177.12 3d48 h LYS 136 N 0.00 0.00 0.00 3.23 2.10 -1.92 -3.01 116.57 116.97 3d48 h LYS 136 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 3d48 h LYS 136 Cb 1.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.28 3d48 h LYS 136 CO 0.04 0.77 -0.26 0.00 -2.00 0.00 0.00 179.45 178.00 3d48 h THR 137 N 0.00 0.00 0.00 0.07 1.03 -1.93 -3.48 112.91 108.61 3d48 h THR 137 Ca -0.01 -0.70 0.00 0.00 -0.01 0.00 0.00 66.41 65.69 3d48 h THR 137 Cb 1.49 1.54 0.00 0.00 -1.07 0.00 0.00 68.15 70.11 3d48 h THR 137 CO 0.10 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.22 3d48 n GLY 138 N 1.24 3.17 0.34 2.99 0.00 -1.14 -4.95 105.19 106.83 3d48 n GLY 138 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 3d48 n GLY 138 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3d48 h TRP 139 N 0.00 -0.21 -4.07 1.61 2.91 -1.85 -3.40 115.95 110.94 3d48 h TRP 139 Ca 0.00 0.07 -0.69 0.00 1.13 0.00 0.00 58.89 59.41 3d48 h TRP 139 Cb 0.00 0.25 -0.23 0.00 -0.51 0.00 0.00 29.16 28.66 3d48 h TRP 139 CO 0.00 -0.40 -0.82 0.12 -1.03 0.00 0.00 178.44 176.31 3d48 s PHE 140 N -6.11 2.52 -0.07 2.65 2.19 -0.99 -5.06 117.98 113.12 3d48 s PHE 140 Ca -0.14 -0.28 -0.01 0.00 0.33 0.00 0.00 56.93 56.84 3d48 s PHE 140 Cb 0.27 -1.48 0.03 0.00 -1.31 0.00 0.00 43.02 40.53 3d48 s PHE 140 CO 0.77 0.20 -0.01 0.99 1.83 0.00 0.00 175.22 179.00 3d48 s THR 141 N -0.86 0.45 -0.22 0.12 2.01 -1.26 -4.53 115.64 111.35 3d48 s THR 141 Ca 0.13 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.19 3d48 s THR 141 Cb -0.10 -0.56 0.04 0.00 0.01 0.00 0.00 72.50 71.88 3d48 s THR 141 CO 0.04 0.25 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.85 3d48 s LEU 142 N 1.66 2.75 0.03 4.42 2.96 -1.26 -0.96 118.68 128.29 3d48 s LEU 142 Ca 0.01 -0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 52.80 3d48 s LEU 142 Cb -0.13 -1.52 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 3d48 s LEU 142 CO -0.04 -0.09 0.40 -0.76 -1.32 0.00 0.00 176.35 174.54 3d48 s LEU 143 N 1.21 4.42 0.34 -0.68 2.01 0.66 -4.47 118.68 122.16 3d48 s LEU 143 Ca -0.01 0.87 0.09 0.00 0.01 0.00 0.00 54.13 55.09 3d48 s LEU 143 Cb -0.16 -2.75 -0.06 0.00 0.01 0.00 0.00 46.19 43.23 3d48 s LEU 143 CO -0.09 0.26 -0.05 -0.31 1.01 0.00 0.00 176.35 177.16 3d48 s TYR 144 N -1.22 2.46 -0.04 0.29 2.02 -0.30 -0.33 117.35 120.23 3d48 s TYR 144 Ca 0.28 -0.46 -0.26 0.00 -0.37 0.00 0.00 57.07 56.25 3d48 s TYR 144 Cb -0.15 -1.41 0.06 0.00 -0.40 0.00 0.00 41.96 40.06 3d48 s TYR 144 CO 0.15 0.55 0.57 -2.00 -1.57 0.00 0.00 175.55 173.24 3d48 s GLU 145 N -3.65 0.94 -0.04 -0.62 2.12 -0.78 -2.10 118.70 114.57 3d48 s GLU 145 Ca 0.33 0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.79 3d48 s GLU 145 Cb 0.01 0.44 0.02 0.00 0.26 0.00 0.00 34.13 34.86 3d48 s GLU 145 CO 0.18 -0.29 -0.03 0.42 -0.54 0.00 0.00 175.26 175.00 3d48 s ILE 146 N -1.25 0.44 0.21 -3.70 -1.09 -0.97 -1.13 121.20 113.71 3d48 s ILE 146 Ca -0.12 -0.06 0.10 0.00 -2.23 0.00 0.00 60.65 58.34 3d48 s ILE 146 Cb -0.02 -0.50 -0.05 0.00 -1.58 0.00 0.00 42.46 40.32 3d48 s ILE 146 CO 0.08 0.21 -0.19 0.00 -1.23 0.00 0.00 174.94 173.81 3d48 s ARG 147 N 1.03 1.42 -0.09 2.79 1.70 0.22 -0.89 118.95 125.15 3d48 s ARG 147 Ca -0.09 -1.55 -0.30 0.00 -0.47 0.00 0.00 55.73 53.31 3d48 s ARG 147 Cb -0.14 -1.48 0.10 0.00 -0.57 0.00 0.00 34.95 32.86 3d48 s ARG 147 CO -0.01 0.29 0.85 -0.48 -1.08 0.00 0.00 175.30 174.88 3d48 s LEU 148 N -3.00 -0.48 -0.28 -1.89 0.05 -0.84 -0.38 118.68 111.86 3d48 s LEU 148 Ca 0.21 0.45 -0.19 0.00 0.05 0.00 0.00 54.13 54.66 3d48 s LEU 148 Cb -0.05 2.15 0.08 0.00 -2.05 0.00 0.00 46.19 46.32 3d48 s LEU 148 CO 0.09 -0.50 0.70 -0.75 -0.55 0.00 0.00 176.35 175.35 3d48 s LYS 149 N -1.48 0.74 1.11 1.48 2.20 -1.02 -1.20 119.74 121.58 3d48 s LYS 149 Ca -0.04 1.15 -0.13 0.00 -0.36 0.00 0.00 55.97 56.59 3d48 s LYS 149 Cb -0.00 0.22 0.23 0.00 -1.51 0.00 0.00 37.83 36.76 3d48 s LYS 149 CO 0.03 -0.13 0.88 -0.35 -0.36 0.00 0.00 175.35 175.41 3d48 n PRO 150 N 3.83 -1.90 0.19 4.03 -0.04 -1.26 -1.78 135.00 138.07 3d48 n PRO 150 Ca -0.18 -0.52 0.08 0.00 -0.04 0.00 0.00 63.50 62.84 3d48 n PRO 150 Cb 0.58 -2.13 0.20 0.00 -0.04 0.00 0.00 33.50 32.11 3d48 n PRO 150 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3d48 h GLU 151 N -2.42 0.00 -0.18 0.54 4.81 -1.99 -3.06 114.58 112.28 3d48 h GLU 151 Ca -0.56 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 3d48 h GLU 151 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 3d48 h GLU 151 CO 0.45 0.24 -0.04 1.63 -0.73 0.00 0.00 179.01 180.57 3d48 n LYS 152 N -3.20 2.18 -2.15 1.92 5.02 -1.26 -5.04 118.16 115.63 3d48 n LYS 152 Ca 0.02 -2.84 -0.41 0.00 -2.02 0.00 0.00 58.31 53.06 3d48 n LYS 152 Cb 0.58 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 3d48 n LYS 152 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d48 s ALA 153 N -2.93 3.57 0.11 7.82 0.00 -1.16 -4.94 121.76 124.23 3d48 s ALA 153 Ca 0.39 1.18 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 3d48 s ALA 153 Cb 0.33 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 3d48 s ALA 153 CO 0.05 -0.61 1.64 0.00 0.00 0.00 0.00 175.76 176.84 3d48 h ALA 154 N 5.49 -0.45 -2.74 0.00 0.00 -1.96 -3.45 119.26 116.15 3d48 h ALA 154 Ca -0.45 -0.04 -0.62 0.00 0.00 0.00 0.00 54.91 53.80 3d48 h ALA 154 Cb 1.21 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 19.28 3d48 h ALA 154 CO 0.79 -0.80 -0.74 -1.21 0.00 0.00 0.00 179.25 177.29 3d48 s GLU 155 N -6.06 1.90 0.43 0.00 2.02 -1.26 -5.14 118.70 110.60 3d48 s GLU 155 Ca -0.16 -1.46 0.02 0.00 0.02 0.00 0.00 54.97 53.40 3d48 s GLU 155 Cb 0.08 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3d48 s GLU 155 CO 0.65 0.39 0.63 -1.58 0.02 0.00 0.00 175.26 175.37 3d48 s TRP 156 N -1.97 3.13 -0.17 1.61 0.52 -1.26 -4.92 118.94 115.88 3d48 s TRP 156 Ca 0.26 0.06 -0.01 0.00 0.02 0.00 0.00 56.10 56.44 3d48 s TRP 156 Cb -0.07 -2.30 -0.00 0.00 -1.15 0.00 0.00 33.47 29.95 3d48 s TRP 156 CO 0.15 -0.35 -0.13 -1.21 0.02 0.00 0.00 176.95 175.43 3d48 s GLU 157 N -4.48 3.25 -0.18 4.98 2.02 -0.34 -4.97 118.70 118.97 3d48 s GLU 157 Ca 0.49 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.71 3d48 s GLU 157 Cb -0.10 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 3d48 s GLU 157 CO 0.36 -0.02 -0.01 0.42 0.02 0.00 0.00 175.26 176.02 3d48 s ILE 158 N 0.93 3.94 -0.22 -1.63 1.09 -1.26 -1.98 121.20 122.07 3d48 s ILE 158 Ca -0.03 -0.33 0.01 0.00 -1.10 0.00 0.00 60.65 59.21 3d48 s ILE 158 Cb -0.15 -2.76 0.05 0.00 -1.06 0.00 0.00 42.46 38.54 3d48 s ILE 158 CO -0.01 0.46 -0.11 -1.00 -0.10 0.00 0.00 174.94 174.17 3d48 s HIS 159 N 0.73 2.68 0.12 3.97 3.76 -0.06 -4.97 115.29 121.52 3d48 s HIS 159 Ca -0.01 -1.82 -0.31 0.00 -0.15 0.00 0.00 55.06 52.77 3d48 s HIS 159 Cb -0.14 -1.74 -0.08 0.00 1.11 0.00 0.00 32.58 31.73 3d48 s HIS 159 CO 0.02 -0.79 1.41 0.12 -0.85 0.00 0.00 174.74 174.65 3d48 s PHE 160 N 1.30 3.22 -0.05 1.40 5.99 -1.26 -2.30 117.98 126.28 3d48 s PHE 160 Ca -0.03 0.92 0.07 0.00 0.00 0.00 0.00 56.93 57.89 3d48 s PHE 160 Cb -0.17 -3.71 0.11 0.00 0.00 0.00 0.00 43.02 39.25 3d48 s PHE 160 CO -0.08 -2.50 1.01 0.00 -0.00 0.00 0.00 175.22 173.66 3d48 n ALA 161 N 3.91 2.01 -0.79 11.12 0.00 -0.89 -5.00 120.51 130.87 3d48 n ALA 161 Ca 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.96 3d48 n ALA 161 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3d48 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d48 n GLY 162 N -0.78 2.94 1.25 0.00 0.00 -1.23 -2.05 105.19 105.32 3d48 n GLY 162 Ca 0.06 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.93 3d48 n GLY 162 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d48 n GLN 163 N 14.00 2.88 -3.03 1.61 6.02 -1.26 -1.15 117.38 136.45 3d48 n GLN 163 Ca 0.00 -2.26 -0.36 0.00 -0.01 0.00 0.00 57.00 54.37 3d48 n GLN 163 Cb 0.00 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 29.55 3d48 n GLN 163 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3d48 s GLN 164 N -1.54 4.30 -0.18 -1.09 -0.21 -0.87 -4.95 119.66 115.12 3d48 s GLN 164 Ca 0.41 0.95 0.16 0.00 0.02 0.00 0.00 55.36 56.90 3d48 s GLN 164 Cb 0.24 -2.81 0.77 0.00 1.00 0.00 0.00 33.01 32.21 3d48 s GLN 164 CO 0.23 0.34 1.69 -2.37 -2.12 0.00 0.00 175.29 173.06 3d48 n THR 165 N 0.58 2.31 -3.65 -0.19 5.66 -1.26 -4.79 114.28 112.94 3d48 n THR 165 Ca -0.01 -1.33 -0.10 0.00 -3.05 0.00 0.00 64.05 59.56 3d48 n THR 165 Cb 0.51 -0.08 -0.03 0.00 -1.55 0.00 0.00 70.33 69.18 3d48 n THR 165 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 3d48 s GLU 166 N -2.33 1.44 0.11 1.09 -1.05 -1.26 -2.53 118.70 114.16 3d48 s GLU 166 Ca 0.53 -0.75 -0.26 0.00 -0.15 0.00 0.00 54.97 54.34 3d48 s GLU 166 Cb 0.37 0.57 0.08 0.00 -0.44 0.00 0.00 34.13 34.71 3d48 s GLU 166 CO 0.20 -0.63 0.96 0.12 0.95 0.00 0.00 175.26 176.86 3d48 s PHE 167 N -3.84 -0.17 -0.12 4.83 5.36 -1.06 -5.02 117.98 117.96 3d48 s PHE 167 Ca 0.06 -0.08 -0.08 0.00 -0.96 0.00 0.00 56.93 55.87 3d48 s PHE 167 Cb -0.02 0.61 0.04 0.00 -0.34 0.00 0.00 43.02 43.31 3d48 s PHE 167 CO -0.04 -0.73 0.30 -1.59 -1.46 0.00 0.00 175.22 171.69 3d48 s LYS 168 N -3.19 0.30 0.22 10.12 -2.85 -1.26 -2.72 119.74 120.35 3d48 s LYS 168 Ca 0.11 0.54 0.10 0.00 -1.00 0.00 0.00 55.97 55.71 3d48 s LYS 168 Cb -0.01 0.01 -0.04 0.00 -2.06 0.00 0.00 37.83 35.72 3d48 s LYS 168 CO -0.01 -0.12 -0.13 0.42 0.10 0.00 0.00 175.35 175.62 3d48 s ILE 169 N 0.87 2.94 -0.22 3.79 1.09 -1.15 -4.99 121.20 123.53 3d48 s ILE 169 Ca -0.06 -1.92 0.01 0.00 -1.10 0.00 0.00 60.65 57.58 3d48 s ILE 169 Cb -0.07 -2.49 0.05 0.00 -1.06 0.00 0.00 42.46 38.90 3d48 s ILE 169 CO -0.06 -0.22 -0.09 -0.76 -0.10 0.00 0.00 174.94 173.72 3d48 s LEU 170 N -3.09 2.52 0.00 2.97 2.01 -1.26 -3.05 118.68 118.78 3d48 s LEU 170 Ca 0.26 -1.05 0.00 0.00 0.01 0.00 0.00 54.13 53.36 3d48 s LEU 170 Cb -0.07 -1.25 0.00 0.00 0.01 0.00 0.00 46.19 44.87 3d48 s LEU 170 CO 0.15 -0.18 0.00 -1.20 1.01 0.00 0.00 176.35 176.13 3d48 n SER 171 N 4.65 0.00 0.00 2.29 7.64 -1.26 -5.14 113.62 121.79 3d48 n SER 171 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 3d48 n SER 171 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3d48 n SER 171 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3d48 n PRO 174 N 0.00 0.00 -3.21 1.43 -0.02 -1.26 -5.20 135.00 126.74 3d48 n PRO 174 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 3d48 n PRO 174 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 3d48 n PRO 174 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d48 n GLY 175 N 2.17 3.52 3.13 -1.23 0.00 -1.26 -4.76 105.19 106.76 3d48 n GLY 175 Ca 0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 3d48 n GLY 175 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d48 s GLN 176 N -1.83 0.71 -0.22 1.61 2.00 -0.88 -4.80 119.66 116.27 3d48 s GLN 176 Ca 0.38 -1.08 -0.15 0.00 -2.00 0.00 0.00 55.36 52.51 3d48 s GLN 176 Cb 0.22 -0.28 -0.04 0.00 0.80 0.00 0.00 33.01 33.70 3d48 s GLN 176 CO -0.09 0.02 0.34 0.21 -0.50 0.00 0.00 175.29 175.27 3d48 s LYS 177 N -2.81 4.14 -0.16 1.67 2.20 -1.26 -1.37 119.74 122.14 3d48 s LYS 177 Ca 0.02 0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.70 3d48 s LYS 177 Cb -0.02 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 3d48 s LYS 177 CO -0.02 -0.04 -0.12 0.71 -0.36 0.00 0.00 175.35 175.52 3d48 s TYR 178 N 1.32 2.84 -0.19 4.03 1.51 -0.06 -3.63 117.35 123.16 3d48 s TYR 178 Ca 0.16 -0.90 -0.29 0.00 -1.01 0.00 0.00 57.07 55.03 3d48 s TYR 178 Cb -0.15 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.77 3d48 s TYR 178 CO 0.07 -0.41 1.14 -0.51 -1.11 0.00 0.00 175.55 174.73 3d48 s LEU 179 N 0.84 4.15 -0.04 -1.29 1.02 -0.73 -1.64 118.68 120.99 3d48 s LEU 179 Ca -0.04 1.54 0.06 0.00 0.02 0.00 0.00 54.13 55.72 3d48 s LEU 179 Cb -0.15 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.51 3d48 s LEU 179 CO 0.00 -0.70 -0.23 0.54 0.02 0.00 0.00 176.35 175.99 3d48 s VAL 180 N 3.24 1.83 0.05 -1.59 0.11 0.75 -2.44 120.40 122.34 3d48 s VAL 180 Ca 0.49 -0.96 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 3d48 s VAL 180 Cb -0.18 -1.54 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 3d48 s VAL 180 CO 0.11 0.52 -0.16 -1.10 -3.33 0.00 0.00 175.10 171.13 3d48 s GLN 181 N -0.30 1.05 -0.04 1.54 -0.21 0.48 -1.03 119.66 121.15 3d48 s GLN 181 Ca 0.02 -0.87 0.05 0.00 0.02 0.00 0.00 55.36 54.59 3d48 s GLN 181 Cb -0.11 -1.11 -0.01 0.00 1.00 0.00 0.00 33.01 32.78 3d48 s GLN 181 CO 0.01 0.27 -0.19 0.54 -2.12 0.00 0.00 175.29 173.81 3d48 s VAL 182 N -0.92 1.53 0.40 1.09 0.11 -1.26 0.73 120.40 122.08 3d48 s VAL 182 Ca 0.03 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.36 3d48 s VAL 182 Cb -0.09 -1.30 -0.08 0.00 -1.53 0.00 0.00 36.38 33.39 3d48 s VAL 182 CO 0.02 0.44 0.02 0.00 -3.33 0.00 0.00 175.10 172.24 3d48 s ARG 183 N -0.11 1.93 -0.01 1.54 1.70 -0.29 -1.88 118.95 121.83 3d48 s ARG 183 Ca -0.01 -2.09 -0.06 0.00 -0.47 0.00 0.00 55.73 53.09 3d48 s ARG 183 Cb -0.11 -1.55 0.00 0.00 -0.57 0.00 0.00 34.95 32.72 3d48 s ARG 183 CO 0.02 -0.07 0.13 0.00 -1.08 0.00 0.00 175.30 174.30 3d48 s LYS 185 N -0.95 1.50 0.60 0.00 -2.85 0.55 0.57 119.74 119.16 3d48 s LYS 185 Ca -0.10 -1.78 -0.06 0.00 -1.00 0.00 0.00 55.97 53.03 3d48 s LYS 185 Cb -0.06 -0.93 0.01 0.00 -2.06 0.00 0.00 37.83 34.80 3d48 s LYS 185 CO 0.01 -0.05 0.91 -1.25 0.10 0.00 0.00 175.35 175.07 3d48 s PRO 186 N -3.80 2.90 0.29 1.78 0.05 -1.26 -0.24 135.00 134.71 3d48 s PRO 186 Ca 0.31 0.00 -0.05 0.00 0.05 0.00 0.00 61.00 61.30 3d48 s PRO 186 Cb 0.05 -2.26 0.54 0.00 0.05 0.00 0.00 34.50 32.88 3d48 s PRO 186 CO 0.12 -0.72 1.56 0.38 0.05 0.00 0.00 177.00 178.39 3d48 h ASP 187 N -0.19 -0.81 -3.20 6.66 3.04 -1.42 -3.34 116.42 117.15 3d48 h ASP 187 Ca -0.45 0.29 -0.51 0.00 -3.24 0.00 0.00 57.03 53.12 3d48 h ASP 187 Cb 1.26 0.59 -0.37 0.00 -1.04 0.00 0.00 39.33 39.76 3d48 h ASP 187 CO 0.61 -0.34 -0.80 -1.00 -2.04 0.00 0.00 179.24 175.67 3d48 s HIS 188 N -6.19 1.37 -5.00 4.15 3.76 -1.26 -5.07 115.29 107.04 3d48 s HIS 188 Ca -0.14 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 3d48 s HIS 188 Cb 0.28 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.79 3d48 s HIS 188 CO 0.78 -0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.59 3d48 n GLY 189 N 4.97 -0.10 3.70 -2.22 0.00 -1.25 -4.82 105.19 105.47 3d48 n GLY 189 Ca -0.12 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 3d48 n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d48 s TYR 190 N -3.75 3.21 0.17 1.61 2.02 0.21 -4.76 117.35 116.06 3d48 s TYR 190 Ca 0.00 0.21 -0.33 0.00 -0.37 0.00 0.00 57.07 56.57 3d48 s TYR 190 Cb 0.00 -1.83 -0.15 0.00 -0.40 0.00 0.00 41.96 39.58 3d48 s TYR 190 CO 0.00 0.46 1.34 0.91 -1.57 0.00 0.00 175.55 176.69 3d48 n TRP 191 N 2.26 1.73 -0.78 2.71 7.02 -1.26 -4.09 117.44 125.04 3d48 n TRP 191 Ca -0.19 0.54 -0.29 0.00 -1.02 0.00 0.00 57.50 56.54 3d48 n TRP 191 Cb 0.54 -2.38 0.21 0.00 -2.42 0.00 0.00 31.31 27.26 3d48 n TRP 191 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3d48 s SER 192 N 0.33 1.87 0.62 -0.99 1.04 0.19 -4.80 113.70 111.97 3d48 s SER 192 Ca 0.75 1.53 -0.16 0.00 0.48 0.00 0.00 55.95 58.56 3d48 s SER 192 Cb -0.79 -2.23 -0.02 0.00 0.10 0.00 0.00 66.02 63.08 3d48 s SER 192 CO 0.48 -3.65 1.10 0.00 0.98 0.00 0.00 173.24 172.15 3d48 s ALA 193 N -2.65 2.58 0.65 5.32 0.00 -1.26 -4.60 121.76 121.80 3d48 s ALA 193 Ca 0.67 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 3d48 s ALA 193 Cb -0.22 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 3d48 s ALA 193 CO 0.61 -1.06 1.17 0.91 0.00 0.00 0.00 175.76 177.39 3d48 n TRP 194 N -2.11 1.48 -1.97 0.00 7.02 -1.26 -4.49 117.44 116.12 3d48 n TRP 194 Ca 0.10 0.42 -0.29 0.00 -1.02 0.00 0.00 57.50 56.71 3d48 n TRP 194 Cb 0.52 -2.21 0.13 0.00 -2.42 0.00 0.00 31.31 27.33 3d48 n TRP 194 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3d48 s SER 195 N -1.38 3.88 0.50 -0.99 1.04 -0.79 -4.93 113.70 111.03 3d48 s SER 195 Ca 0.80 0.47 -0.22 0.00 0.48 0.00 0.00 55.95 57.48 3d48 s SER 195 Cb -0.39 -0.76 -0.06 0.00 0.10 0.00 0.00 66.02 64.91 3d48 s SER 195 CO 0.43 -2.26 1.27 -2.16 0.98 0.00 0.00 173.24 171.50 3d48 s PRO 196 N -5.68 3.44 0.55 4.02 0.04 -1.26 -4.70 135.00 131.42 3d48 s PRO 196 Ca 0.68 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.54 3d48 s PRO 196 Cb -0.07 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3d48 s PRO 196 CO 0.50 -0.88 1.31 0.00 0.04 0.00 0.00 177.00 177.97 3d48 s ALA 197 N -1.41 2.77 0.20 8.56 0.00 -1.26 -4.83 121.76 125.79 3d48 s ALA 197 Ca 0.67 1.23 0.09 0.00 0.00 0.00 0.00 51.96 53.96 3d48 s ALA 197 Cb -0.35 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 3d48 s ALA 197 CO 0.42 -1.27 -0.10 0.99 0.00 0.00 0.00 175.76 175.80 3d48 s THR 198 N -1.38 3.11 -0.04 0.00 2.01 -0.20 -4.93 115.64 114.21 3d48 s THR 198 Ca 0.72 -1.78 0.06 0.00 0.31 0.00 0.00 61.69 61.00 3d48 s THR 198 Cb -0.37 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 3d48 s THR 198 CO 0.44 -0.17 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.61 3d48 s PHE 199 N -1.85 2.07 -0.09 4.92 0.08 -1.26 -0.18 117.98 121.66 3d48 s PHE 199 Ca 0.26 -0.52 -0.04 0.00 0.12 0.00 0.00 56.93 56.75 3d48 s PHE 199 Cb -0.08 -1.36 0.05 0.00 -0.57 0.00 0.00 43.02 41.06 3d48 s PHE 199 CO 0.15 -0.13 0.21 -1.50 -0.10 0.00 0.00 175.22 173.85 3d48 s ILE 200 N -0.27 -0.09 -0.13 0.64 1.10 -0.65 -4.94 121.20 116.87 3d48 s ILE 200 Ca 0.02 0.18 -0.19 0.00 -0.51 0.00 0.00 60.65 60.15 3d48 s ILE 200 Cb -0.11 -0.33 -0.04 0.00 0.15 0.00 0.00 42.46 42.13 3d48 s ILE 200 CO 0.01 0.08 0.50 -1.58 -2.11 0.00 0.00 174.94 171.84 3d48 s GLN 201 N 1.39 4.33 -0.30 3.50 -0.44 -1.26 -0.89 119.66 125.99 3d48 s GLN 201 Ca -0.08 0.48 -0.13 0.00 -2.50 0.00 0.00 55.36 53.13 3d48 s GLN 201 Cb -0.11 -3.46 -0.03 0.00 -1.64 0.00 0.00 33.01 27.77 3d48 s GLN 201 CO -0.07 0.10 0.27 0.96 0.50 0.00 0.00 175.29 177.05 3d48 s ILE 202 N 0.79 5.25 0.00 -2.34 -4.36 -0.47 -4.94 121.20 115.13 3d48 s ILE 202 Ca 0.27 0.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.82 3d48 s ILE 202 Cb -0.15 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 39.90 3d48 s ILE 202 CO 0.11 0.12 0.00 -0.81 0.24 0.00 0.00 174.94 174.60 3d48 n PRO 203 N 5.19 -1.68 0.00 0.37 -0.04 -1.26 -2.07 135.00 135.52 3d48 n PRO 203 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 3d48 n PRO 203 Cb 0.51 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.01 3d48 n PRO 203 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89