#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbe s HIS 6 N 0.00 1.29 0.05 -1.55 3.76 -1.26 -5.15 115.29 112.43 3mbe s HIS 6 Ca 0.00 -0.27 0.05 0.00 -0.15 0.00 0.00 55.06 54.69 3mbe s HIS 6 Cb 0.00 -0.84 -0.02 0.00 1.11 0.00 0.00 32.58 32.82 3mbe s HIS 6 CO 0.00 -0.05 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.63 3mbe s PHE 7 N -0.22 1.35 0.04 1.40 0.08 -1.26 -5.12 117.98 114.26 3mbe s PHE 7 Ca 0.03 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.73 3mbe s PHE 7 Cb -0.07 -0.79 -0.03 0.00 -0.57 0.00 0.00 43.02 41.57 3mbe s PHE 7 CO -0.00 0.05 -0.08 0.08 -0.10 0.00 0.00 175.22 175.18 3mbe s VAL 8 N -0.90 0.53 -0.03 -0.44 1.01 -1.26 -5.02 120.40 114.29 3mbe s VAL 8 Ca 0.02 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 3mbe s VAL 8 Cb -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.64 3mbe s VAL 8 CO 0.02 -0.42 0.07 -2.28 0.00 0.00 0.00 175.10 172.49 3mbe s HIS 9 N -1.53 -0.07 0.22 5.22 2.46 -1.26 -0.03 115.29 120.30 3mbe s HIS 9 Ca -0.09 0.22 0.01 0.00 0.47 0.00 0.00 55.06 55.68 3mbe s HIS 9 Cb -0.09 -0.04 -0.01 0.00 -0.13 0.00 0.00 32.58 32.32 3mbe s HIS 9 CO -0.00 -0.07 0.05 1.04 -2.47 0.00 0.00 174.74 173.29 3mbe n GLN 10 N 3.43 0.97 -3.59 2.88 6.02 0.16 -4.97 117.38 122.28 3mbe n GLN 10 Ca -0.17 -1.79 -0.00 0.00 -0.01 0.00 0.00 57.00 55.02 3mbe n GLN 10 Cb 0.57 0.80 -0.06 0.00 1.02 0.00 0.00 30.24 32.57 3mbe n GLN 10 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3mbe s PHE 11 N -2.19 -0.44 -0.07 1.08 5.36 -1.26 -3.12 117.98 117.35 3mbe s PHE 11 Ca 0.07 0.85 0.03 0.00 -0.96 0.00 0.00 56.93 56.92 3mbe s PHE 11 Cb 0.00 0.26 0.01 0.00 -0.34 0.00 0.00 43.02 42.95 3mbe s PHE 11 CO 0.05 -0.22 -0.16 0.15 -1.46 0.00 0.00 175.22 173.58 3mbe s LYS 12 N 1.47 1.97 -0.30 10.12 1.02 -1.10 -4.97 119.74 127.96 3mbe s LYS 12 Ca -0.07 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.34 3mbe s LYS 12 Cb -0.03 -1.61 0.05 0.00 -0.52 0.00 0.00 37.83 35.71 3mbe s LYS 12 CO -0.14 0.11 0.01 0.20 -0.92 0.00 0.00 175.35 174.61 3mbe s GLY 13 N 0.44 1.76 -0.10 -3.33 0.00 -1.26 -1.57 107.32 103.25 3mbe s GLY 13 Ca -0.13 -1.74 -0.01 0.00 0.00 0.00 0.00 44.72 42.85 3mbe s GLY 13 CO 0.04 0.69 -0.06 -0.54 0.00 0.00 0.00 173.10 173.24 3mbe s GLU 14 N 1.27 3.12 -0.21 2.90 2.02 -0.73 -5.01 118.70 122.07 3mbe s GLU 14 Ca -0.05 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.41 3mbe s GLU 14 Cb -0.20 -2.71 0.04 0.00 0.10 0.00 0.00 34.13 31.37 3mbe s GLU 14 CO -0.01 0.49 -0.11 0.00 0.02 0.00 0.00 175.26 175.65 3mbe s TYR 16 N 1.32 3.26 -0.20 0.00 2.02 0.86 -4.96 117.35 119.65 3mbe s TYR 16 Ca -0.02 0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 56.81 3mbe s TYR 16 Cb -0.17 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.08 3mbe s TYR 16 CO -0.08 -0.06 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.64 3mbe s PHE 17 N 1.41 2.85 -0.09 2.71 0.08 -1.26 -1.25 117.98 122.43 3mbe s PHE 17 Ca 0.07 -1.36 0.03 0.00 0.12 0.00 0.00 56.93 55.79 3mbe s PHE 17 Cb -0.15 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 3mbe s PHE 17 CO 0.08 -0.70 -0.18 0.99 -0.10 0.00 0.00 175.22 175.30 3mbe s THR 18 N 1.37 1.63 -0.96 0.64 2.01 -0.42 -4.57 115.64 115.34 3mbe s THR 18 Ca 0.05 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 3mbe s THR 18 Cb -0.13 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 70.93 3mbe s THR 18 CO -0.09 0.47 0.46 -3.20 -0.69 0.00 0.00 174.62 171.57 3mbe n ASN 19 N 3.78 -4.52 0.00 3.53 2.85 -1.26 -2.80 115.26 116.84 3mbe n ASN 19 Ca -0.20 -0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.05 3mbe n ASN 19 Cb 0.52 -3.34 0.00 0.00 1.24 0.00 0.00 39.78 38.20 3mbe n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3mbe n GLY 20 N -1.29 2.12 0.08 8.20 0.00 -1.26 -3.33 105.19 109.72 3mbe n GLY 20 Ca -0.06 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 3mbe n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mbe n THR 21 N 0.00 1.26 0.30 2.61 -2.24 -1.26 -4.46 114.28 110.49 3mbe n THR 21 Ca 0.00 -0.75 0.06 0.00 -2.27 0.00 0.00 64.05 61.09 3mbe n THR 21 Cb 0.00 -0.68 0.34 0.00 -2.10 0.00 0.00 70.33 67.88 3mbe n THR 21 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3mbe h GLN 22 N 0.00 0.00 -2.44 -0.78 4.20 -1.74 -3.32 115.11 111.04 3mbe h GLN 22 Ca -0.29 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.22 3mbe h GLN 22 Cb 1.85 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 29.31 3mbe h GLN 22 CO 0.05 0.00 -0.51 0.50 -0.67 0.00 0.00 178.83 178.20 3mbe s ARG 23 N -3.86 0.25 -0.01 1.46 6.06 -1.12 -5.05 118.95 116.67 3mbe s ARG 23 Ca -0.01 0.61 0.06 0.00 -2.50 0.00 0.00 55.73 53.88 3mbe s ARG 23 Cb 0.04 -0.38 -0.01 0.00 0.06 0.00 0.00 34.95 34.65 3mbe s ARG 23 CO 0.11 -0.47 -0.18 0.42 -2.50 0.00 0.00 175.30 172.68 3mbe s ILE 24 N 2.47 1.44 0.01 4.11 1.01 -1.25 -1.30 121.20 127.68 3mbe s ILE 24 Ca 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.96 3mbe s ILE 24 Cb -0.14 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3mbe s ILE 24 CO -0.12 0.41 -0.10 -0.60 0.00 0.00 0.00 174.94 174.53 3mbe s ARG 25 N -0.42 0.74 -0.19 2.79 3.52 -0.38 -4.99 118.95 120.03 3mbe s ARG 25 Ca 0.07 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.17 3mbe s ARG 25 Cb -0.07 -0.69 0.05 0.00 -1.56 0.00 0.00 34.95 32.67 3mbe s ARG 25 CO -0.01 0.18 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.46 3mbe s LEU 26 N -0.64 1.72 0.37 -0.88 2.96 -1.26 -0.10 118.68 120.84 3mbe s LEU 26 Ca 0.01 -0.80 0.07 0.00 -0.22 0.00 0.00 54.13 53.19 3mbe s LEU 26 Cb -0.05 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 3mbe s LEU 26 CO 0.00 -0.22 0.37 -0.69 -1.32 0.00 0.00 176.35 174.49 3mbe s VAL 27 N 1.63 3.31 -0.30 1.68 1.01 -0.63 -1.50 120.40 125.60 3mbe s VAL 27 Ca -0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.66 3mbe s VAL 27 Cb -0.16 -3.14 0.19 0.00 0.00 0.00 0.00 36.38 33.26 3mbe s VAL 27 CO -0.07 -0.10 0.70 -0.89 0.00 0.00 0.00 175.10 174.73 3mbe s THR 28 N -2.34 -0.86 -0.24 3.92 2.01 -0.89 -1.77 115.64 115.47 3mbe s THR 28 Ca 0.45 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.44 3mbe s THR 28 Cb -0.06 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.48 3mbe s THR 28 CO 0.28 0.00 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.00 3mbe s ARG 29 N 2.88 2.82 -0.20 4.92 0.52 -0.61 -1.79 118.95 127.50 3mbe s ARG 29 Ca 0.16 -0.98 -0.19 0.00 -0.52 0.00 0.00 55.73 54.20 3mbe s ARG 29 Cb -0.14 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 3mbe s ARG 29 CO -0.19 -0.38 0.55 0.71 0.02 0.00 0.00 175.30 176.01 3mbe s TYR 30 N 1.30 3.38 -0.16 -0.53 1.51 -1.15 -2.70 117.35 119.01 3mbe s TYR 30 Ca 0.00 0.82 -0.00 0.00 -1.01 0.00 0.00 57.07 56.88 3mbe s TYR 30 Cb -0.16 -2.70 0.04 0.00 -0.11 0.00 0.00 41.96 39.02 3mbe s TYR 30 CO -0.06 -0.12 -0.07 0.42 -1.11 0.00 0.00 175.55 174.62 3mbe s ILE 31 N 1.69 1.17 0.22 2.71 1.01 -1.18 -2.13 121.20 124.69 3mbe s ILE 31 Ca 0.25 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 60.07 3mbe s ILE 31 Cb -0.16 -1.29 -0.08 0.00 0.01 0.00 0.00 42.46 40.94 3mbe s ILE 31 CO 0.10 0.20 0.79 -0.47 0.00 0.00 0.00 174.94 175.56 3mbe s TYR 32 N 1.62 3.78 0.00 3.97 5.04 -1.11 -0.66 117.35 129.98 3mbe s TYR 32 Ca 0.02 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.23 3mbe s TYR 32 Cb -0.15 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.42 3mbe s TYR 32 CO -0.08 0.40 0.00 0.09 -1.34 0.00 0.00 175.55 174.62 3mbe n ASN 33 N 1.09 0.00 -0.15 4.32 3.02 0.95 0.30 115.26 124.80 3mbe n ASN 33 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.54 3mbe n ASN 33 Cb 0.50 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.69 3mbe n ASN 33 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3mbe n ARG 34 N 0.00 -0.10 -3.44 3.52 3.00 -1.26 -4.72 116.66 113.66 3mbe n ARG 34 Ca 0.00 -0.82 -0.43 0.00 -0.00 0.00 0.00 57.85 56.59 3mbe n ARG 34 Cb 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 32.46 31.31 3mbe n ARG 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3mbe s GLU 35 N -0.38 2.87 0.24 -0.14 2.12 0.15 -5.06 118.70 118.51 3mbe s GLU 35 Ca 0.04 -1.44 -0.30 0.00 0.36 0.00 0.00 54.97 53.64 3mbe s GLU 35 Cb 0.03 -4.06 -0.10 0.00 0.26 0.00 0.00 34.13 30.26 3mbe s GLU 35 CO 0.04 -1.06 1.45 -2.00 -0.54 0.00 0.00 175.26 173.16 3mbe s GLU 36 N 1.57 4.26 0.00 4.30 2.12 -1.26 -2.75 118.70 126.95 3mbe s GLU 36 Ca 0.04 2.31 0.00 0.00 0.36 0.00 0.00 54.97 57.68 3mbe s GLU 36 Cb -0.25 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.03 3mbe s GLU 36 CO 0.05 -0.44 0.00 2.48 -0.54 0.00 0.00 175.26 176.81 3mbe n TYR 37 N 2.50 0.00 -4.48 5.30 4.11 -0.90 -4.13 117.16 119.56 3mbe n TYR 37 Ca 0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.74 3mbe n TYR 37 Cb 0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.64 3mbe n TYR 37 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 3mbe s LEU 38 N -2.28 2.63 -0.30 -3.48 2.96 -1.19 -0.14 118.68 116.90 3mbe s LEU 38 Ca 0.00 -1.14 -0.16 0.00 -0.22 0.00 0.00 54.13 52.62 3mbe s LEU 38 Cb 0.00 -0.92 0.16 0.00 0.50 0.00 0.00 46.19 45.93 3mbe s LEU 38 CO 0.00 -0.17 1.01 -0.60 -1.32 0.00 0.00 176.35 175.27 3mbe s ARG 39 N -3.61 0.30 -0.05 1.98 3.52 -1.03 -2.91 118.95 117.15 3mbe s ARG 39 Ca 0.30 0.65 -0.19 0.00 -0.13 0.00 0.00 55.73 56.37 3mbe s ARG 39 Cb 0.01 0.29 -0.05 0.00 -1.56 0.00 0.00 34.95 33.63 3mbe s ARG 39 CO 0.14 -0.09 0.52 0.12 -0.81 0.00 0.00 175.30 175.19 3mbe s PHE 40 N 2.01 3.62 -0.18 5.12 5.36 -0.74 -1.92 117.98 131.25 3mbe s PHE 40 Ca -0.05 1.05 -0.01 0.00 -0.96 0.00 0.00 56.93 56.96 3mbe s PHE 40 Cb -0.05 -2.55 0.05 0.00 -0.34 0.00 0.00 43.02 40.13 3mbe s PHE 40 CO -0.16 0.32 -0.03 0.34 -1.46 0.00 0.00 175.22 174.23 3mbe s ASP 41 N 0.03 2.93 0.39 6.13 -1.08 -1.25 -2.10 116.67 121.72 3mbe s ASP 41 Ca 0.28 -0.75 0.12 0.00 -0.52 0.00 0.00 52.55 51.69 3mbe s ASP 41 Cb -0.17 -0.84 0.94 0.00 -1.46 0.00 0.00 42.92 41.39 3mbe s ASP 41 CO 0.14 -0.22 1.89 0.77 0.52 0.00 0.00 175.17 178.27 3mbe h SER 42 N 8.14 0.52 0.38 -0.34 4.64 -1.62 0.36 113.55 125.63 3mbe h SER 42 Ca -0.21 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3mbe h SER 42 Cb 1.11 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3mbe h SER 42 CO 0.38 0.26 -0.25 0.44 -0.87 0.00 0.00 176.83 176.79 3mbe h ASP 43 N 0.55 -0.63 -0.51 4.97 5.19 -1.94 -2.89 116.42 121.16 3mbe h ASP 43 Ca 0.41 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.88 3mbe h ASP 43 Cb 0.80 0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.47 3mbe h ASP 43 CO -0.16 -0.39 0.32 0.58 -3.12 0.00 0.00 179.24 176.46 3mbe h VAL 44 N -0.61 1.08 0.00 -1.35 2.07 -1.65 -3.47 116.25 112.31 3mbe h VAL 44 Ca -0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3mbe h VAL 44 Cb 0.51 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3mbe h VAL 44 CO 0.03 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.35 3mbe n GLY 45 N -1.24 0.46 3.83 2.17 0.00 0.11 -5.05 105.19 105.48 3mbe n GLY 45 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 3mbe n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mbe s GLU 46 N -0.89 1.70 0.27 1.61 -1.05 -1.25 -4.99 118.70 114.10 3mbe s GLU 46 Ca 0.00 -0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 53.55 3mbe s GLU 46 Cb 0.00 0.55 -0.09 0.00 -0.44 0.00 0.00 34.13 34.15 3mbe s GLU 46 CO 0.00 -0.78 1.11 0.71 0.95 0.00 0.00 175.26 177.25 3mbe s TYR 47 N -3.39 3.55 -0.06 4.83 2.02 -1.26 -3.76 117.35 119.28 3mbe s TYR 47 Ca 0.13 1.67 -0.01 0.00 -0.37 0.00 0.00 57.07 58.49 3mbe s TYR 47 Cb -0.05 -3.31 0.03 0.00 -0.40 0.00 0.00 41.96 38.24 3mbe s TYR 47 CO 0.07 -0.64 -0.00 1.03 -1.57 0.00 0.00 175.55 174.44 3mbe s ARG 48 N -1.31 0.60 0.80 -0.62 1.81 -0.81 -4.90 118.95 114.52 3mbe s ARG 48 Ca 0.45 0.08 -0.14 0.00 -1.72 0.00 0.00 55.73 54.40 3mbe s ARG 48 Cb -0.32 -0.90 0.03 0.00 -0.45 0.00 0.00 34.95 33.31 3mbe s ARG 48 CO 0.41 -0.26 0.83 0.00 -0.68 0.00 0.00 175.30 175.60 3mbe n ALA 49 N 4.90 -0.99 0.00 2.13 0.00 -1.26 -2.45 120.51 122.84 3mbe n ALA 49 Ca -0.11 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3mbe n ALA 49 Cb 0.50 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3mbe n ALA 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3mbe n VAL 50 N -3.02 0.00 -4.41 0.00 0.31 0.81 -4.88 118.33 107.14 3mbe n VAL 50 Ca 0.11 -0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 64.19 3mbe n VAL 50 Cb 0.51 0.34 -0.08 0.00 -0.91 0.00 0.00 33.84 33.69 3mbe n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3mbe s THR 51 N -0.30 0.36 -0.82 2.52 -4.23 -1.22 -4.91 115.64 107.04 3mbe s THR 51 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 3mbe s THR 51 Cb 0.00 -2.42 0.18 0.00 1.34 0.00 0.00 72.50 71.61 3mbe s THR 51 CO 0.00 0.00 1.61 1.21 -0.54 0.00 0.00 174.62 176.90 3mbe n GLU 52 N -0.76 0.08 -0.03 3.99 4.07 -1.26 -2.98 120.64 123.75 3mbe n GLU 52 Ca -0.01 0.28 -0.16 0.00 -0.06 0.00 0.00 57.16 57.21 3mbe n GLU 52 Cb 0.64 -1.64 -0.08 0.00 -0.06 0.00 0.00 31.44 30.30 3mbe n GLU 52 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3mbe h LEU 53 N 0.00 0.74 -4.11 4.31 5.85 -1.95 -3.20 115.31 116.94 3mbe h LEU 53 Ca 0.00 -0.63 -0.66 0.00 0.84 0.00 0.00 57.88 57.42 3mbe h LEU 53 Cb 0.34 -0.22 -0.32 0.00 0.37 0.00 0.00 40.66 40.84 3mbe h LEU 53 CO 0.00 1.25 0.52 0.61 -0.34 0.00 0.00 178.44 180.48 3mbe n GLY 54 N 0.69 5.93 0.10 3.75 0.00 -1.16 -4.71 105.19 109.79 3mbe n GLY 54 Ca -0.08 -2.42 -0.14 0.00 0.00 0.00 0.00 46.02 43.38 3mbe n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mbe h ARG 55 N 2.19 0.18 -0.00 1.61 2.43 -1.64 -3.27 114.38 115.88 3mbe h ARG 55 Ca 0.55 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 3mbe h ARG 55 Cb 0.84 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3mbe h ARG 55 CO 1.39 0.76 -0.58 0.72 -1.51 0.00 0.00 179.97 180.75 3mbe n HIS 56 N -4.61 0.00 -0.18 2.20 8.25 -1.26 -4.13 115.22 115.48 3mbe n HIS 56 Ca -0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.29 3mbe n HIS 56 Cb 0.39 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.37 3mbe n HIS 56 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3mbe h SER 57 N 0.39 0.80 -0.84 0.41 0.02 -1.87 -3.07 113.55 109.39 3mbe h SER 57 Ca 0.00 -0.24 0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3mbe h SER 57 Cb 0.52 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 3mbe h SER 57 CO 0.00 0.83 0.55 0.00 -1.14 0.00 0.00 176.83 177.07 3mbe h ALA 58 N 1.00 1.63 -0.36 3.77 0.00 -1.71 -0.09 119.26 123.49 3mbe h ALA 58 Ca 0.16 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3mbe h ALA 58 Cb 0.35 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mbe h ALA 58 CO 0.00 0.22 0.17 0.93 0.00 0.00 0.00 179.25 180.57 3mbe h GLU 59 N 0.88 0.34 0.15 0.00 5.08 -1.78 -1.52 114.58 117.73 3mbe h GLU 59 Ca 0.38 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 3mbe h GLU 59 Cb 0.31 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3mbe h GLU 59 CO -0.14 0.22 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.09 3mbe h TYR 60 N 0.35 -0.20 -1.01 4.33 3.20 -1.05 0.08 116.97 122.66 3mbe h TYR 60 Ca 0.15 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.25 3mbe h TYR 60 Cb 0.08 0.07 -0.12 0.00 1.54 0.00 0.00 36.73 38.30 3mbe h TYR 60 CO -0.11 -0.12 0.60 1.88 -1.64 0.00 0.00 178.16 178.77 3mbe h TYR 61 N -0.21 1.03 -0.56 -3.82 -1.99 -1.31 0.84 116.97 110.94 3mbe h TYR 61 Ca -0.02 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 3mbe h TYR 61 Cb 0.16 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 3mbe h TYR 61 CO 0.16 0.13 0.22 -0.91 -0.00 0.00 0.00 178.16 177.75 3mbe h ASN 62 N 0.64 0.79 0.45 3.88 2.35 -1.24 0.56 115.58 123.00 3mbe h ASN 62 Ca 0.62 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 56.17 3mbe h ASN 62 Cb 1.11 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.28 3mbe h ASN 62 CO -0.44 0.75 -0.22 0.50 -1.65 0.00 0.00 177.43 176.38 3mbe h LYS 63 N 0.78 -0.58 0.10 0.81 1.63 0.25 -3.18 116.57 116.38 3mbe h LYS 63 Ca 0.19 0.04 -0.22 0.00 -0.85 0.00 0.00 60.65 59.80 3mbe h LYS 63 Cb 0.22 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3mbe h LYS 63 CO -0.01 -0.35 -1.13 1.96 -3.45 0.00 0.00 179.45 176.47 3mbe h GLN 64 N -0.67 0.20 -0.01 1.90 1.08 -0.27 -3.42 115.11 113.93 3mbe h GLN 64 Ca -0.06 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 3mbe h GLN 64 Cb 0.50 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3mbe h GLN 64 CO 0.10 1.17 -0.13 0.66 -0.95 0.00 0.00 178.83 179.67 3mbe n TYR 66 N -4.09 0.00 -0.11 2.96 4.01 0.18 -4.74 117.16 115.38 3mbe n TYR 66 Ca -0.22 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.62 3mbe n TYR 66 Cb 0.82 0.00 0.45 0.00 -0.31 0.00 0.00 39.34 40.29 3mbe n TYR 66 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3mbe h LEU 68 N 0.80 0.47 0.12 7.72 5.85 -1.22 -2.71 115.31 126.35 3mbe h LEU 68 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3mbe h LEU 68 Cb 0.24 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3mbe h LEU 68 CO 0.00 0.30 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.26 3mbe h GLU 69 N 0.53 -0.16 -0.53 1.25 4.81 -1.85 -2.83 114.58 115.81 3mbe h GLU 69 Ca 0.28 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 3mbe h GLU 69 Cb 0.39 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3mbe h GLU 69 CO -0.08 0.29 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.36 3mbe h ARG 70 N -0.69 0.96 -0.84 1.92 9.65 -1.90 -2.91 114.38 120.56 3mbe h ARG 70 Ca -0.02 -0.32 0.08 0.00 -1.10 0.00 0.00 59.98 58.62 3mbe h ARG 70 Cb 0.52 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.95 3mbe h ARG 70 CO 0.03 0.99 0.50 1.15 2.80 0.00 0.00 179.97 185.43 3mbe h THR 71 N 0.83 0.96 -0.01 0.20 2.02 -1.55 -1.19 112.91 114.17 3mbe h THR 71 Ca 0.14 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3mbe h THR 71 Cb 0.58 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3mbe h THR 71 CO 0.03 0.16 -0.09 0.03 0.37 0.00 0.00 175.52 176.02 3mbe h ARG 72 N 0.86 0.01 0.00 6.66 3.08 -1.29 -1.70 114.38 122.00 3mbe h ARG 72 Ca 0.39 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.37 3mbe h ARG 72 Cb 0.30 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3mbe h ARG 72 CO -0.22 0.10 -0.92 0.00 -1.07 0.00 0.00 179.97 177.86 3mbe h ALA 73 N 1.90 0.65 -0.31 0.04 0.00 -1.30 -3.30 119.26 116.94 3mbe h ALA 73 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.65 3mbe h ALA 73 Cb 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3mbe h ALA 73 CO 0.01 0.40 0.66 0.93 0.00 0.00 0.00 179.25 181.26 3mbe h GLU 74 N 0.00 0.00 -0.25 0.00 5.08 -0.27 0.93 114.58 120.07 3mbe h GLU 74 Ca -0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3mbe h GLU 74 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3mbe h GLU 74 CO 0.03 0.00 -0.26 1.25 -1.00 0.00 0.00 179.01 179.02 3mbe h LEU 75 N 0.00 0.48 0.00 1.33 6.46 -1.67 0.06 115.31 121.97 3mbe h LEU 75 Ca 0.15 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3mbe h LEU 75 Cb 1.47 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 3mbe h LEU 75 CO -0.00 0.74 -1.31 0.47 -0.62 0.00 0.00 178.44 177.71 3mbe n ASP 76 N -4.11 0.94 -0.00 1.25 8.00 0.30 -1.68 116.55 121.24 3mbe n ASP 76 Ca -0.00 -0.42 0.08 0.00 0.71 0.00 0.00 54.79 55.16 3mbe n ASP 76 Cb 0.41 1.42 -0.10 0.00 -0.02 0.00 0.00 41.12 42.83 3mbe n ASP 76 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3mbe n THR 77 N -1.76 0.00 0.00 -3.53 -2.24 0.08 -3.78 114.28 103.04 3mbe n THR 77 Ca -0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3mbe n THR 77 Cb 0.36 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3mbe n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbe n ALA 78 N -1.52 2.86 -0.10 6.98 0.00 -0.02 -4.64 120.51 124.08 3mbe n ALA 78 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3mbe n ALA 78 Cb 0.29 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3mbe n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mbe n ARG 80 N -1.85 -0.23 0.40 0.00 3.00 -0.68 -1.55 116.66 115.75 3mbe n ARG 80 Ca 0.00 1.51 -0.18 0.00 -0.00 0.00 0.00 57.85 59.18 3mbe n ARG 80 Cb 0.00 -2.25 -0.09 0.00 0.00 0.00 0.00 32.46 30.12 3mbe n ARG 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3mbe h HIS 81 N 0.00 -0.91 -0.65 -0.14 2.76 -1.69 -1.88 115.15 112.63 3mbe h HIS 81 Ca 0.35 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.62 3mbe h HIS 81 Cb 0.59 0.30 -0.09 0.00 1.55 0.00 0.00 27.41 29.76 3mbe h HIS 81 CO -0.86 -0.56 0.17 -0.91 -1.30 0.00 0.00 177.93 174.47 3mbe h ASN 82 N -1.00 0.05 0.72 3.26 4.21 -0.51 0.15 115.58 122.46 3mbe h ASN 82 Ca -0.10 0.12 -0.04 0.00 1.21 0.00 0.00 56.30 57.49 3mbe h ASN 82 Cb 0.76 0.15 0.01 0.00 -1.12 0.00 0.00 38.32 38.12 3mbe h ASN 82 CO 0.17 0.02 -0.35 0.22 -1.29 0.00 0.00 177.43 176.20 3mbe h TYR 83 N 0.30 -0.90 -0.43 1.19 5.03 -1.25 0.27 116.97 121.18 3mbe h TYR 83 Ca 0.35 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.64 3mbe h TYR 83 Cb 0.54 0.30 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 3mbe h TYR 83 CO -0.24 -0.56 0.27 0.93 -1.32 0.00 0.00 178.16 177.24 3mbe h GLU 84 N -0.98 0.58 0.00 1.82 5.08 -1.00 0.14 114.58 120.21 3mbe h GLU 84 Ca -0.10 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3mbe h GLU 84 Cb 0.74 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3mbe h GLU 84 CO 0.16 0.40 -1.63 0.39 -1.00 0.00 0.00 179.01 177.34 3mbe n GLU 85 N -4.45 0.92 0.00 2.33 -0.58 0.50 -4.54 120.64 114.81 3mbe n GLU 85 Ca 0.03 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3mbe n GLU 85 Cb 0.07 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 3mbe n GLU 85 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3mbe n THR 86 N -2.08 0.00 -0.05 2.62 -2.24 0.28 -4.73 114.28 108.08 3mbe n THR 86 Ca -0.07 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.49 3mbe n THR 86 Cb 0.49 -0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 68.07 3mbe n THR 86 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mbe n GLU 87 N -1.48 0.67 -0.16 -0.78 -0.58 0.69 -3.79 120.64 115.22 3mbe n GLU 87 Ca 0.00 0.41 -0.03 0.00 -0.42 0.00 0.00 57.16 57.12 3mbe n GLU 87 Cb 0.29 -1.72 0.07 0.00 -0.57 0.00 0.00 31.44 29.51 3mbe n GLU 87 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3mbe h VAL 88 N -0.45 0.79 -0.00 2.62 2.07 -0.96 -1.39 116.25 118.93 3mbe h VAL 88 Ca -0.40 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3mbe h VAL 88 Cb 1.69 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3mbe h VAL 88 CO -0.06 0.06 -0.05 -2.65 0.02 0.00 0.00 177.57 174.89 3mbe n PRO 89 N -5.04 0.90 0.01 1.57 -0.02 -1.26 -3.60 135.00 127.55 3mbe n PRO 89 Ca 0.05 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3mbe n PRO 89 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3mbe n PRO 89 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3mbe n THR 90 N -0.84 0.22 0.05 3.45 -2.24 -0.85 -4.69 114.28 109.38 3mbe n THR 90 Ca 0.18 0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3mbe n THR 90 Cb 0.23 -0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 67.41 3mbe n THR 90 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3mbe h SER 91 N 0.00 -0.13 0.20 3.42 0.02 -1.50 -3.07 113.55 112.50 3mbe h SER 91 Ca 0.00 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 3mbe h SER 91 Cb 0.00 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3mbe h SER 91 CO 0.00 0.33 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.85 3mbe h LEU 92 N -0.63 0.00 -1.17 5.07 3.38 -1.60 -1.99 115.31 118.38 3mbe h LEU 92 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3mbe h LEU 92 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3mbe h LEU 92 CO 0.03 0.10 -0.35 -0.09 0.09 0.00 0.00 178.44 178.21 3mbe h ARG 93 N 0.00 0.00 -6.33 1.13 2.43 -1.60 -3.45 114.38 106.56 3mbe h ARG 93 Ca -0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 3mbe h ARG 93 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3mbe h ARG 93 CO 0.01 0.35 1.04 0.50 -1.51 0.00 0.00 179.97 180.36 3mbe s ARG 94 N -3.85 4.20 -0.07 0.20 3.52 -0.75 -5.00 118.95 117.19 3mbe s ARG 94 Ca -0.01 2.22 -0.01 0.00 -0.13 0.00 0.00 55.73 57.80 3mbe s ARG 94 Cb 0.12 -3.83 0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3mbe s ARG 94 CO 0.69 -0.79 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.87 3mbe s LEU 94 N 3.45 0.76 -0.06 -0.88 1.43 -1.26 -4.35 118.68 117.77 3mbe s LEU 94 Ca 0.73 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.78 3mbe s LEU 94 Cb -0.35 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 3mbe s LEU 94 CO 0.30 -0.16 -0.22 -1.61 0.23 0.00 0.00 176.35 174.90 3mbe s GLU 95 N 1.74 2.62 0.13 1.70 0.41 0.42 -4.93 118.70 120.79 3mbe s GLU 95 Ca 0.02 -0.84 -0.20 0.00 -0.41 0.00 0.00 54.97 53.53 3mbe s GLU 95 Cb -0.13 -2.25 -0.07 0.00 -1.78 0.00 0.00 34.13 29.90 3mbe s GLU 95 CO -0.04 0.42 0.65 -0.65 -0.49 0.00 0.00 175.26 175.14 3mbe s GLN 96 N -0.23 4.27 0.88 1.61 -0.21 -1.26 -3.40 119.66 121.31 3mbe s GLN 96 Ca -0.01 0.84 -0.13 0.00 0.02 0.00 0.00 55.36 56.07 3mbe s GLN 96 Cb -0.13 -3.14 0.13 0.00 1.00 0.00 0.00 33.01 30.86 3mbe s GLN 96 CO 0.03 0.56 1.22 -2.14 -2.12 0.00 0.00 175.29 172.84 3mbe s PRO 97 N -1.37 1.40 -0.68 2.91 0.02 -1.26 -4.57 135.00 131.45 3mbe s PRO 97 Ca 0.34 -0.05 0.05 0.00 0.02 0.00 0.00 61.00 61.36 3mbe s PRO 97 Cb -0.19 -1.90 0.22 0.00 0.02 0.00 0.00 34.50 32.64 3mbe s PRO 97 CO 0.21 -1.95 0.66 0.09 -0.33 0.00 0.00 177.00 175.68 3mbe n ASN 98 N -3.53 3.53 -4.66 2.53 3.02 0.85 -4.85 115.26 112.14 3mbe n ASN 98 Ca 0.10 -3.35 -0.43 0.00 -0.03 0.00 0.00 54.58 50.88 3mbe n ASN 98 Cb 0.60 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 3mbe n ASN 98 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mbe s VAL 99 N -2.05 3.90 -0.28 2.41 1.01 -1.26 -3.09 120.40 121.05 3mbe s VAL 99 Ca 0.33 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.43 3mbe s VAL 99 Cb 0.06 -3.72 0.15 0.00 0.00 0.00 0.00 36.38 32.88 3mbe s VAL 99 CO -0.08 -0.09 0.41 0.00 0.00 0.00 0.00 175.10 175.34 3mbe s ALA 100 N 3.62 -1.21 0.21 5.51 0.00 -0.29 -5.01 121.76 124.59 3mbe s ALA 100 Ca 0.64 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 3mbe s ALA 100 Cb -0.28 -1.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.78 3mbe s ALA 100 CO 0.23 -1.61 1.21 0.42 0.00 0.00 0.00 175.76 176.01 3mbe s ILE 101 N 2.55 3.44 0.00 0.00 1.01 -1.26 -2.60 121.20 124.34 3mbe s ILE 101 Ca 0.11 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.00 3mbe s ILE 101 Cb -0.13 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3mbe s ILE 101 CO -0.26 0.22 0.00 -0.24 0.00 0.00 0.00 174.94 174.65 3mbe n SER 102 N 2.25 1.05 -3.66 3.58 2.88 -0.36 -4.98 113.62 114.38 3mbe n SER 102 Ca 0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.48 3mbe n SER 102 Cb 0.44 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.82 3mbe n SER 102 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3mbe s LEU 103 N 0.00 -0.52 0.98 2.46 2.96 -1.26 -4.14 118.68 119.16 3mbe s LEU 103 Ca 0.00 1.25 -0.22 0.00 -0.22 0.00 0.00 54.13 54.94 3mbe s LEU 103 Cb 0.00 1.98 -0.17 0.00 0.50 0.00 0.00 46.19 48.50 3mbe s LEU 103 CO 0.00 -0.22 -1.13 -1.54 -1.32 0.00 0.00 176.35 172.14 3mbe n SER 104 N 3.91 -4.61 -0.14 3.68 3.41 0.74 -4.92 113.62 115.69 3mbe n SER 104 Ca -0.19 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.64 3mbe n SER 104 Cb 0.57 -0.63 0.23 0.00 -0.26 0.00 0.00 64.21 64.12 3mbe n SER 104 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3mbe n ARG 105 N 2.46 -0.03 -0.05 4.33 0.00 -1.26 -4.96 116.66 117.15 3mbe n ARG 105 Ca -0.02 0.62 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 3mbe n ARG 105 Cb 0.64 -1.08 0.00 0.00 -0.00 0.00 0.00 32.46 32.02 3mbe n ARG 105 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 3mbe n HIS 112 N -4.10 0.00 -2.98 2.89 -0.00 -1.26 -5.10 115.22 104.67 3mbe n HIS 112 Ca 0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.68 3mbe n HIS 112 Cb 0.51 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.57 3mbe n HIS 112 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3mbe n ASN 113 N 0.32 1.92 -3.72 4.39 3.02 0.16 -4.86 115.26 116.49 3mbe n ASN 113 Ca 0.00 -2.42 -0.17 0.00 -0.03 0.00 0.00 54.58 51.96 3mbe n ASN 113 Cb 0.00 -0.43 -0.17 0.00 -0.61 0.00 0.00 39.78 38.57 3mbe n ASN 113 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mbe s THR 114 N -2.48 -0.09 -1.19 3.41 2.01 -1.26 -0.52 115.64 115.52 3mbe s THR 114 Ca 0.59 0.31 -0.05 0.00 0.31 0.00 0.00 61.69 62.84 3mbe s THR 114 Cb -0.04 -0.13 0.23 0.00 0.01 0.00 0.00 72.50 72.56 3mbe s THR 114 CO 0.37 0.13 1.88 0.18 -0.69 0.00 0.00 174.62 176.49 3mbe n LEU 115 N 4.71 7.07 -4.51 4.42 4.77 -0.83 -0.18 117.00 132.45 3mbe n LEU 115 Ca -0.16 -5.01 -0.42 0.00 -0.03 0.00 0.00 56.01 50.38 3mbe n LEU 115 Cb 0.50 -1.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.19 3mbe n LEU 115 CO 0.14 1.76 2.00 0.52 -1.33 0.00 0.00 177.39 180.49 3mbe n VAL 116 N 1.71 0.04 -3.38 4.08 0.31 -1.26 -4.10 118.33 115.74 3mbe n VAL 116 Ca 0.43 -0.42 -0.45 0.00 -0.01 0.00 0.00 64.34 63.89 3mbe n VAL 116 Cb 0.31 -1.86 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 3mbe n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mbe s SER 118 N 2.55 6.44 -0.33 0.00 0.01 -1.07 -2.57 113.70 118.72 3mbe s SER 118 Ca 0.12 2.40 -0.01 0.00 1.31 0.00 0.00 55.95 59.77 3mbe s SER 118 Cb -0.19 -2.62 0.11 0.00 0.21 0.00 0.00 66.02 63.54 3mbe s SER 118 CO -0.04 -0.74 0.15 -0.69 0.41 0.00 0.00 173.24 172.33 3mbe s VAL 119 N -1.39 0.47 0.33 3.43 1.01 -0.42 -1.14 120.40 122.69 3mbe s VAL 119 Ca 0.58 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 61.22 3mbe s VAL 119 Cb -0.32 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3mbe s VAL 119 CO 0.40 -0.80 0.10 0.42 0.00 0.00 0.00 175.10 175.23 3mbe s THR 120 N 1.47 3.01 -0.70 3.92 -4.23 -1.18 -2.15 115.64 115.78 3mbe s THR 120 Ca 0.13 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 3mbe s THR 120 Cb -0.19 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.72 3mbe s THR 120 CO -0.19 -0.21 0.66 0.47 -0.54 0.00 0.00 174.62 174.81 3mbe n ASP 121 N -1.09 -6.95 -4.15 3.99 8.00 0.22 -0.11 116.55 116.47 3mbe n ASP 121 Ca -0.04 -0.21 -0.14 0.00 0.71 0.00 0.00 54.79 55.12 3mbe n ASP 121 Cb 0.61 -4.19 -0.10 0.00 -0.02 0.00 0.00 41.12 37.42 3mbe n ASP 121 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mbe s PHE 122 N -2.84 1.31 -0.28 1.24 -0.71 -1.19 -4.08 117.98 111.43 3mbe s PHE 122 Ca 0.06 -1.36 -0.21 0.00 -1.04 0.00 0.00 56.93 54.38 3mbe s PHE 122 Cb -0.01 -0.66 0.12 0.00 -1.21 0.00 0.00 43.02 41.25 3mbe s PHE 122 CO 0.80 -0.58 0.95 -0.47 -1.34 0.00 0.00 175.22 174.57 3mbe s TYR 123 N -3.99 -0.60 0.00 3.49 6.14 -1.22 -0.51 117.35 120.67 3mbe s TYR 123 Ca 0.39 1.34 0.00 0.00 0.64 0.00 0.00 57.07 59.44 3mbe s TYR 123 Cb 0.07 0.38 0.00 0.00 0.42 0.00 0.00 41.96 42.83 3mbe s TYR 123 CO 0.14 -0.29 0.00 -0.35 0.64 0.00 0.00 175.55 175.69 3mbe n PRO 124 N 2.93 2.67 0.00 4.97 -0.04 -1.26 -0.44 135.00 143.83 3mbe n PRO 124 Ca -0.15 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.42 3mbe n PRO 124 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.05 3mbe n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mbe n ALA 125 N -3.00 3.59 -2.24 0.55 0.00 -1.26 -4.88 120.51 113.27 3mbe n ALA 125 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 3mbe n ALA 125 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3mbe n ALA 125 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3mbe s LYS 126 N -2.51 4.31 0.19 0.00 2.20 -1.26 -4.97 119.74 117.70 3mbe s LYS 126 Ca 0.18 1.96 -0.24 0.00 -0.36 0.00 0.00 55.97 57.52 3mbe s LYS 126 Cb 0.18 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 33.09 3mbe s LYS 126 CO 0.58 -0.50 0.91 -1.50 -0.36 0.00 0.00 175.35 174.48 3mbe s ILE 127 N 1.93 0.00 -0.20 5.43 2.07 -1.26 -4.35 121.20 124.83 3mbe s ILE 127 Ca 0.63 -0.75 -0.06 0.00 -1.41 0.00 0.00 60.65 59.06 3mbe s ILE 127 Cb -0.32 -2.08 0.09 0.00 0.13 0.00 0.00 42.46 40.28 3mbe s ILE 127 CO 0.28 0.00 0.40 -0.54 -1.91 0.00 0.00 174.94 173.17 3mbe s LYS 128 N -3.32 0.31 -0.62 3.50 1.02 0.38 -4.93 119.74 116.08 3mbe s LYS 128 Ca 0.13 0.97 0.03 0.00 0.02 0.00 0.00 55.97 57.12 3mbe s LYS 128 Cb -0.03 0.24 0.15 0.00 -0.52 0.00 0.00 37.83 37.67 3mbe s LYS 128 CO 0.04 -0.29 0.39 0.08 -0.92 0.00 0.00 175.35 174.65 3mbe s VAL 129 N 2.59 2.91 0.34 3.17 1.01 -1.26 0.04 120.40 129.21 3mbe s VAL 129 Ca -0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 61.98 58.29 3mbe s VAL 129 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3mbe s VAL 129 CO -0.13 -0.89 0.60 -0.13 0.00 0.00 0.00 175.10 174.55 3mbe s ARG 130 N -0.74 3.57 0.09 2.72 0.52 0.66 -4.88 118.95 120.88 3mbe s ARG 130 Ca 0.20 -0.06 0.07 0.00 -0.52 0.00 0.00 55.73 55.43 3mbe s ARG 130 Cb -0.17 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 3mbe s ARG 130 CO -0.07 0.11 -0.13 -1.58 0.02 0.00 0.00 175.30 173.66 3mbe s TRP 131 N -2.28 2.68 0.05 -0.53 0.52 -1.26 -0.01 118.94 118.12 3mbe s TRP 131 Ca 0.43 -0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.40 3mbe s TRP 131 Cb -0.10 -1.43 -0.03 0.00 -1.15 0.00 0.00 33.47 30.76 3mbe s TRP 131 CO 0.34 0.39 -0.10 -0.06 0.02 0.00 0.00 176.95 177.54 3mbe s PHE 132 N -1.14 0.87 -0.33 -1.98 0.40 -0.08 -2.23 117.98 113.50 3mbe s PHE 132 Ca 0.19 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 3mbe s PHE 132 Cb -0.11 -0.51 0.11 0.00 0.51 0.00 0.00 43.02 43.02 3mbe s PHE 132 CO 0.11 -0.03 0.13 0.50 0.70 0.00 0.00 175.22 176.63 3mbe s ARG 133 N -1.71 0.68 -1.42 0.44 3.52 0.14 -2.51 118.95 118.08 3mbe s ARG 133 Ca -0.06 -1.13 -0.08 0.00 -0.13 0.00 0.00 55.73 54.32 3mbe s ARG 133 Cb -0.09 -1.83 0.02 0.00 -1.56 0.00 0.00 34.95 31.49 3mbe s ARG 133 CO 0.01 -1.04 1.02 0.09 -0.81 0.00 0.00 175.30 174.58 3mbe n ASN 134 N 4.67 -6.15 0.00 -2.12 3.02 -0.36 -2.03 115.26 112.29 3mbe n ASN 134 Ca 0.00 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 3mbe n ASN 134 Cb 0.41 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.70 3mbe n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mbe n GLY 135 N -1.86 0.60 3.33 7.41 0.00 -1.26 -5.04 105.19 108.36 3mbe n GLY 135 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3mbe n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mbe s GLN 136 N -0.20 2.78 0.35 1.61 1.11 -0.86 -5.09 119.66 119.36 3mbe s GLN 136 Ca 0.00 -0.81 -0.26 0.00 0.01 0.00 0.00 55.36 54.29 3mbe s GLN 136 Cb 0.00 -2.33 -0.09 0.00 -1.01 0.00 0.00 33.01 29.58 3mbe s GLN 136 CO 0.00 0.37 1.10 -2.00 0.01 0.00 0.00 175.29 174.77 3mbe s GLU 137 N -0.11 4.33 -0.06 2.91 2.12 -1.26 0.24 118.70 126.86 3mbe s GLU 137 Ca -0.04 1.71 0.05 0.00 0.36 0.00 0.00 54.97 57.05 3mbe s GLU 137 Cb -0.14 -2.83 -0.00 0.00 0.26 0.00 0.00 34.13 31.41 3mbe s GLU 137 CO 0.04 -0.04 -0.22 -1.21 -0.54 0.00 0.00 175.26 173.29 3mbe s GLU 138 N -2.03 2.34 0.00 4.30 0.41 -0.94 -4.89 118.70 117.88 3mbe s GLU 138 Ca 0.52 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 3mbe s GLU 138 Cb -0.28 -1.94 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 3mbe s GLU 138 CO 0.36 0.28 0.30 0.25 -0.49 0.00 0.00 175.26 175.95 3mbe n THR 139 N 3.17 0.00 -4.04 3.63 -2.24 -1.26 -4.49 114.28 109.05 3mbe n THR 139 Ca -0.18 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.79 3mbe n THR 139 Cb 0.52 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 3mbe n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3mbe s VAL 140 N -0.36 4.97 0.00 2.28 1.01 -1.26 -4.39 120.40 122.65 3mbe s VAL 140 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3mbe s VAL 140 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3mbe s VAL 140 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3mbe n GLY 141 N 1.24 1.19 3.55 4.51 0.00 -1.26 -4.84 105.19 109.59 3mbe n GLY 141 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3mbe n GLY 141 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mbe n VAL 142 N 0.00 0.08 -2.55 1.61 0.31 -1.26 -3.96 118.33 112.55 3mbe n VAL 142 Ca 0.00 -0.61 -0.24 0.00 -0.01 0.00 0.00 64.34 63.48 3mbe n VAL 142 Cb 0.00 -2.51 0.11 0.00 -0.91 0.00 0.00 33.84 30.53 3mbe n VAL 142 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3mbe s SER 143 N 10.41 4.27 0.27 4.52 0.15 -1.25 -4.97 113.70 127.10 3mbe s SER 143 Ca 1.02 -0.33 -0.21 0.00 0.70 0.00 0.00 55.95 57.13 3mbe s SER 143 Cb -0.34 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 63.97 3mbe s SER 143 CO 0.32 -1.92 0.74 -0.55 1.20 0.00 0.00 173.24 173.03 3mbe s SER 144 N -4.75 -0.25 0.35 5.45 0.15 -1.26 -2.79 113.70 110.60 3mbe s SER 144 Ca 0.67 -0.60 0.09 0.00 0.70 0.00 0.00 55.95 56.81 3mbe s SER 144 Cb -0.05 0.71 -0.06 0.00 -1.71 0.00 0.00 66.02 64.92 3mbe s SER 144 CO 0.45 -1.32 0.02 0.42 1.20 0.00 0.00 173.24 174.01 3mbe s THR 145 N -3.87 2.54 0.07 6.45 -4.23 -1.18 -4.97 115.64 110.45 3mbe s THR 145 Ca 0.11 -1.96 -0.31 0.00 -1.18 0.00 0.00 61.69 58.35 3mbe s THR 145 Cb -0.06 -2.82 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 3mbe s THR 145 CO 0.07 -0.17 1.20 -1.10 -0.54 0.00 0.00 174.62 174.08 3mbe s GLN 146 N -3.72 4.43 -0.22 3.99 -0.21 -1.26 -4.82 119.66 117.84 3mbe s GLN 146 Ca 0.35 1.78 -0.24 0.00 0.02 0.00 0.00 55.36 57.28 3mbe s GLN 146 Cb 0.01 -3.34 -0.10 0.00 1.00 0.00 0.00 33.01 30.58 3mbe s GLN 146 CO 0.19 -0.25 0.79 -0.11 -2.12 0.00 0.00 175.29 173.79 3mbe n LEU 147 N 3.85 0.54 -4.56 2.90 0.00 -1.26 -4.87 117.00 113.60 3mbe n LEU 147 Ca 0.09 0.62 -0.40 0.00 0.00 0.00 0.00 56.01 56.32 3mbe n LEU 147 Cb 0.46 -0.46 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 3mbe n LEU 147 CO 0.56 -0.51 -0.05 -0.63 0.00 0.00 0.00 177.39 176.75 3mbe s ILE 148 N 1.34 5.23 -0.36 1.96 1.01 -0.20 -4.98 121.20 125.20 3mbe s ILE 148 Ca 0.54 0.11 -0.23 0.00 0.00 0.00 0.00 60.65 61.07 3mbe s ILE 148 Cb -0.76 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.02 3mbe s ILE 148 CO 0.41 0.06 0.76 -0.60 0.00 0.00 0.00 174.94 175.57 3mbe s ARG 149 N 1.89 3.74 0.16 2.79 3.52 -1.26 -2.34 118.95 127.44 3mbe s ARG 149 Ca 0.10 0.26 0.02 0.00 -0.13 0.00 0.00 55.73 55.98 3mbe s ARG 149 Cb -0.16 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 3mbe s ARG 149 CO 0.11 -0.83 1.35 -0.91 -0.81 0.00 0.00 175.30 174.21 3mbe h ASN 150 N 8.47 0.24 0.00 -2.12 2.35 -1.64 -3.48 115.58 119.40 3mbe h ASN 150 Ca -0.25 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3mbe h ASN 150 Cb 1.10 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.39 3mbe h ASN 150 CO 0.90 1.03 0.00 0.61 -1.65 0.00 0.00 177.43 178.32 3mbe n GLY 151 N 0.96 2.81 1.65 2.83 0.00 -1.26 -4.87 105.19 107.31 3mbe n GLY 151 Ca -0.04 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 3mbe n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mbe n ASP 152 N 0.31 5.69 -1.97 1.61 5.68 -1.26 -4.76 116.55 121.85 3mbe n ASP 152 Ca 0.00 -2.68 -0.20 0.00 -0.50 0.00 0.00 54.79 51.41 3mbe n ASP 152 Cb 0.00 -1.07 -0.04 0.00 -1.14 0.00 0.00 41.12 38.87 3mbe n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3mbe n TRP 153 N 0.95 -0.56 -4.21 2.11 7.02 -1.26 -4.99 117.44 116.49 3mbe n TRP 153 Ca 0.13 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.46 3mbe n TRP 153 Cb 0.55 -3.64 -0.11 0.00 -2.42 0.00 0.00 31.31 25.69 3mbe n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3mbe s THR 154 N -2.89 1.09 0.34 -0.99 -4.23 -1.26 -4.66 115.64 103.04 3mbe s THR 154 Ca 0.00 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3mbe s THR 154 Cb 0.00 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.31 3mbe s THR 154 CO 0.00 -0.58 0.04 0.49 -0.54 0.00 0.00 174.62 174.03 3mbe n PHE 155 N 0.34 0.54 -3.63 3.99 3.72 0.34 -1.62 117.46 121.13 3mbe n PHE 155 Ca -0.14 -1.63 -0.03 0.00 -0.05 0.00 0.00 57.45 55.60 3mbe n PHE 155 Cb 0.58 -0.23 -0.04 0.00 -0.94 0.00 0.00 39.48 38.85 3mbe n PHE 155 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3mbe s GLN 156 N -3.24 0.14 -0.24 -1.08 -2.07 -0.99 0.73 119.66 112.91 3mbe s GLN 156 Ca 0.03 0.01 -0.25 0.00 -1.82 0.00 0.00 55.36 53.33 3mbe s GLN 156 Cb -0.00 0.07 0.07 0.00 -1.09 0.00 0.00 33.01 32.05 3mbe s GLN 156 CO 0.02 -0.05 0.70 0.54 -1.32 0.00 0.00 175.29 175.18 3mbe s VAL 157 N -1.26 0.00 -0.24 3.63 0.11 -0.91 -1.04 120.40 120.70 3mbe s VAL 157 Ca 0.08 -0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 3mbe s VAL 157 Cb -0.01 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3mbe s VAL 157 CO -0.06 -0.00 -0.03 -0.76 -3.33 0.00 0.00 175.10 170.92 3mbe s LEU 158 N 0.18 3.08 -0.71 2.54 1.43 -1.26 -1.30 118.68 122.64 3mbe s LEU 158 Ca -0.01 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 3mbe s LEU 158 Cb -0.04 -1.75 0.18 0.00 0.03 0.00 0.00 46.19 44.61 3mbe s LEU 158 CO 0.02 -0.06 0.55 -0.69 0.23 0.00 0.00 176.35 176.40 3mbe s VAL 159 N 1.46 4.06 0.87 -1.59 1.01 -1.06 -3.11 120.40 122.04 3mbe s VAL 159 Ca 0.04 -3.13 -0.14 0.00 0.00 0.00 0.00 61.98 58.75 3mbe s VAL 159 Cb -0.15 -3.60 0.22 0.00 0.00 0.00 0.00 36.38 32.85 3mbe s VAL 159 CO -0.03 -0.94 0.50 0.23 0.00 0.00 0.00 175.10 174.86 3mbe n MET 160 N 3.26 -3.56 -3.08 2.72 2.81 -1.12 -3.21 117.12 114.93 3mbe n MET 160 Ca 0.12 -0.85 0.05 0.00 -1.81 0.00 0.00 57.70 55.20 3mbe n MET 160 Cb 0.39 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 3mbe n MET 160 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3mbe s LEU 161 N 0.00 -0.55 0.01 4.03 2.96 -1.26 -3.97 118.68 119.91 3mbe s LEU 161 Ca 0.39 -0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.99 3mbe s LEU 161 Cb -0.07 1.21 -0.05 0.00 0.50 0.00 0.00 46.19 47.77 3mbe s LEU 161 CO 0.33 -0.09 1.34 -0.70 -1.32 0.00 0.00 176.35 175.91 3mbe s GLU 162 N 2.73 4.32 0.24 1.98 2.56 -1.25 -1.97 118.70 127.30 3mbe s GLU 162 Ca 0.23 1.90 -0.22 0.00 0.00 0.00 0.00 54.97 56.89 3mbe s GLU 162 Cb -0.02 -3.51 0.03 0.00 2.00 0.00 0.00 34.13 32.64 3mbe s GLU 162 CO -0.21 -0.50 0.80 0.00 -0.56 0.00 0.00 175.26 174.78 3mbe s MET 163 N 2.07 1.60 -0.08 4.30 0.23 0.32 -4.82 119.30 122.92 3mbe s MET 163 Ca 0.62 -0.89 0.02 0.00 -1.03 0.00 0.00 55.69 54.41 3mbe s MET 163 Cb -0.31 0.55 -0.02 0.00 -1.53 0.00 0.00 34.83 33.52 3mbe s MET 163 CO 0.26 -0.73 -0.13 0.95 -2.03 0.00 0.00 175.02 173.34 3mbe s THR 164 N -3.72 3.18 -0.40 3.16 -4.23 -1.26 0.38 115.64 112.74 3mbe s THR 164 Ca 0.11 -0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 59.82 3mbe s THR 164 Cb -0.05 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.54 3mbe s THR 164 CO 0.05 0.57 0.28 -2.16 -0.54 0.00 0.00 174.62 172.83 3mbe s PRO 165 N -0.40 2.94 0.10 3.99 0.05 -1.26 -5.04 135.00 135.38 3mbe s PRO 165 Ca 0.05 -1.05 -0.24 0.00 0.05 0.00 0.00 61.00 59.81 3mbe s PRO 165 Cb -0.12 -3.93 -0.07 0.00 0.05 0.00 0.00 34.50 30.43 3mbe s PRO 165 CO 0.02 -0.75 0.72 -1.01 0.05 0.00 0.00 177.00 176.03 3mbe s HIS 166 N 1.65 3.82 0.21 0.56 3.76 -1.26 -5.01 115.29 119.02 3mbe s HIS 166 Ca 0.04 1.49 -0.31 0.00 -0.15 0.00 0.00 55.06 56.13 3mbe s HIS 166 Cb -0.19 -2.72 -0.15 0.00 1.11 0.00 0.00 32.58 30.62 3mbe s HIS 166 CO 0.09 0.45 1.02 0.94 -0.85 0.00 0.00 174.74 176.40 3mbe n GLN 167 N 2.04 1.03 0.00 1.40 -0.06 -1.26 -2.06 117.38 118.47 3mbe n GLN 167 Ca -0.06 0.36 0.00 0.00 -2.00 0.00 0.00 57.00 55.31 3mbe n GLN 167 Cb 0.50 -1.75 0.00 0.00 -4.06 0.00 0.00 30.24 24.92 3mbe n GLN 167 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3mbe n GLY 168 N 1.74 2.12 3.75 1.69 0.00 -1.26 -5.03 105.19 108.20 3mbe n GLY 168 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3mbe n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mbe s GLU 169 N -0.49 4.63 -0.10 1.61 2.12 -0.87 -5.04 118.70 120.55 3mbe s GLU 169 Ca 0.00 1.77 -0.03 0.00 0.36 0.00 0.00 54.97 57.08 3mbe s GLU 169 Cb 0.00 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 3mbe s GLU 169 CO 0.00 0.17 0.02 0.54 -0.54 0.00 0.00 175.26 175.45 3mbe s VAL 170 N -0.87 4.42 0.38 3.70 0.11 -1.26 -4.51 120.40 122.36 3mbe s VAL 170 Ca 0.46 -0.20 0.08 0.00 -2.93 0.00 0.00 61.98 59.39 3mbe s VAL 170 Cb -0.31 -2.88 -0.07 0.00 -1.53 0.00 0.00 36.38 31.58 3mbe s VAL 170 CO 0.39 0.58 -0.02 -0.31 -3.33 0.00 0.00 175.10 172.41 3mbe s TYR 171 N -0.66 2.48 -0.22 1.54 2.02 -1.07 -1.22 117.35 120.22 3mbe s TYR 171 Ca 0.11 -0.59 -0.12 0.00 -0.37 0.00 0.00 57.07 56.11 3mbe s TYR 171 Cb -0.12 -1.62 0.07 0.00 -0.40 0.00 0.00 41.96 39.90 3mbe s TYR 171 CO 0.02 0.49 0.52 0.99 -1.57 0.00 0.00 175.55 176.00 3mbe s THR 172 N -2.66 -0.09 -0.36 -0.71 2.01 -1.04 -3.25 115.64 109.54 3mbe s THR 172 Ca 0.34 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 62.26 3mbe s THR 172 Cb 0.06 -0.77 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 3mbe s THR 172 CO 0.18 0.03 0.29 0.00 -0.69 0.00 0.00 174.62 174.42 3mbe s HIS 174 N 1.79 3.29 -0.15 0.00 5.04 0.99 -2.35 115.29 123.90 3mbe s HIS 174 Ca 0.07 -1.44 -0.02 0.00 -1.54 0.00 0.00 55.06 52.13 3mbe s HIS 174 Cb -0.18 -2.54 -0.02 0.00 0.04 0.00 0.00 32.58 29.88 3mbe s HIS 174 CO 0.11 -0.76 -0.07 0.08 -2.34 0.00 0.00 174.74 171.75 3mbe s VAL 175 N 1.42 3.55 -0.14 0.89 1.01 -0.57 -0.25 120.40 126.31 3mbe s VAL 175 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3mbe s VAL 175 Cb -0.21 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 3mbe s VAL 175 CO 0.03 0.50 -0.18 -1.61 0.00 0.00 0.00 175.10 173.84 3mbe s GLU 176 N 0.47 3.17 0.07 2.72 2.02 0.11 -1.32 118.70 125.95 3mbe s GLU 176 Ca -0.06 -0.78 -0.07 0.00 0.02 0.00 0.00 54.97 54.08 3mbe s GLU 176 Cb -0.15 -2.54 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 3mbe s GLU 176 CO 0.03 0.06 0.13 -1.58 0.02 0.00 0.00 175.26 173.93 3mbe s HIS 177 N 0.69 0.22 0.30 1.61 2.46 -1.26 -0.47 115.29 118.84 3mbe s HIS 177 Ca -0.08 -0.65 0.20 0.00 0.47 0.00 0.00 55.06 55.00 3mbe s HIS 177 Cb -0.16 -0.13 0.96 0.00 -0.13 0.00 0.00 32.58 33.11 3mbe s HIS 177 CO 0.02 -0.48 1.88 -1.35 -2.47 0.00 0.00 174.74 172.33 3mbe h PRO 178 N 2.98 0.00 0.00 2.88 0.11 -1.95 -2.85 132.00 133.17 3mbe h PRO 178 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3mbe h PRO 178 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mbe h PRO 178 CO 0.57 0.28 0.00 -1.13 -0.21 0.00 0.00 178.00 177.51 3mbe n SER 179 N -3.73 0.00 -4.20 -2.05 3.41 -1.26 -4.67 113.62 101.11 3mbe n SER 179 Ca -0.01 0.25 -0.33 0.00 -0.26 0.00 0.00 58.87 58.52 3mbe n SER 179 Cb 0.38 -0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 63.78 3mbe n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mbe s LEU 180 N -2.80 2.39 0.01 1.04 1.43 -1.08 -4.84 118.68 114.84 3mbe s LEU 180 Ca 0.15 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 3mbe s LEU 180 Cb 0.14 -1.56 -0.17 0.00 0.03 0.00 0.00 46.19 44.64 3mbe s LEU 180 CO 0.37 0.02 1.33 0.11 0.23 0.00 0.00 176.35 178.41 3mbe h LYS 181 N 7.77 0.16 -4.95 1.70 6.56 -1.84 -3.42 116.57 122.56 3mbe h LYS 181 Ca -0.41 -0.08 -0.66 0.00 -1.06 0.00 0.00 60.65 58.45 3mbe h LYS 181 Cb 1.16 -0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 32.57 3mbe h LYS 181 CO 0.61 0.57 -0.66 0.45 -2.06 0.00 0.00 179.45 178.36 3mbe s SER 182 N -5.85 4.86 0.25 0.86 0.15 -1.26 -5.08 113.70 107.63 3mbe s SER 182 Ca -0.15 -0.33 -0.28 0.00 0.70 0.00 0.00 55.95 55.89 3mbe s SER 182 Cb 0.04 -1.86 -0.16 0.00 -1.71 0.00 0.00 66.02 62.33 3mbe s SER 182 CO 0.71 -0.05 0.75 -2.65 1.20 0.00 0.00 173.24 173.20 3mbe n PRO 183 N 4.88 0.65 -2.65 5.44 -0.02 -1.26 -4.94 135.00 137.09 3mbe n PRO 183 Ca -0.17 0.23 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 3mbe n PRO 183 Cb 0.51 -1.41 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 3mbe n PRO 183 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mbe s ILE 184 N -1.04 3.94 -0.06 4.25 1.01 -0.43 -4.92 121.20 123.96 3mbe s ILE 184 Ca 0.61 1.58 -0.03 0.00 0.00 0.00 0.00 60.65 62.81 3mbe s ILE 184 Cb -0.82 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 37.82 3mbe s ILE 184 CO 0.58 0.10 0.13 0.42 0.00 0.00 0.00 174.94 176.17 3mbe s THR 185 N -1.60 -0.03 -0.06 2.92 -4.23 -1.26 -1.51 115.64 109.87 3mbe s THR 185 Ca 0.53 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 61.17 3mbe s THR 185 Cb -0.21 -0.21 0.02 0.00 1.34 0.00 0.00 72.50 73.43 3mbe s THR 185 CO 0.27 0.05 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.60 3mbe s VAL 186 N 0.75 1.01 0.28 2.29 1.01 -0.99 -4.94 120.40 119.80 3mbe s VAL 186 Ca -0.06 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3mbe s VAL 186 Cb -0.08 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3mbe s VAL 186 CO -0.04 0.33 0.15 -1.61 0.00 0.00 0.00 175.10 173.93 3mbe s GLU 187 N 0.75 2.66 -0.21 2.72 2.02 -1.26 -1.24 118.70 124.14 3mbe s GLU 187 Ca -0.13 -1.24 -0.13 0.00 0.02 0.00 0.00 54.97 53.48 3mbe s GLU 187 Cb -0.15 -2.40 0.07 0.00 0.10 0.00 0.00 34.13 31.75 3mbe s GLU 187 CO 0.03 0.32 0.53 -0.46 0.02 0.00 0.00 175.26 175.70 3mbe s TRP 188 N -2.24 -0.77 -0.21 1.61 -0.00 -1.20 -4.97 118.94 111.16 3mbe s TRP 188 Ca 0.34 1.62 0.02 0.00 -0.00 0.00 0.00 56.10 58.08 3mbe s TRP 188 Cb -0.07 0.39 0.01 0.00 -0.00 0.00 0.00 33.47 33.80 3mbe s TRP 188 CO 0.23 -0.40 0.55 -1.13 -0.00 0.00 0.00 176.95 176.21