#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b5h n GLY 24 N 0.00 0.18 3.82 0.00 0.00 -1.26 -5.02 105.19 102.91 3b5h n GLY 24 Ca 0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 3b5h n GLY 24 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3b5h s THR 25 N 0.00 4.66 -0.12 2.61 -1.32 -1.22 -4.77 115.64 115.49 3b5h s THR 25 Ca 0.00 1.14 0.02 0.00 -1.21 0.00 0.00 61.69 61.64 3b5h s THR 25 Cb 0.00 -3.82 0.01 0.00 -1.51 0.00 0.00 72.50 67.18 3b5h s THR 25 CO 0.00 0.21 -0.19 0.54 -2.21 0.00 0.00 174.62 172.97 3b5h s VAL 26 N -1.51 1.77 -0.15 5.08 0.11 -1.26 -1.28 120.40 123.16 3b5h s VAL 26 Ca 0.42 -0.82 -0.11 0.00 -2.93 0.00 0.00 61.98 58.54 3b5h s VAL 26 Cb -0.16 -1.58 -0.05 0.00 -1.53 0.00 0.00 36.38 33.06 3b5h s VAL 26 CO 0.20 0.50 0.20 0.12 -3.33 0.00 0.00 175.10 172.79 3b5h s PHE 27 N 0.79 3.50 0.01 1.54 5.36 0.40 -4.83 117.98 124.76 3b5h s PHE 27 Ca -0.09 0.51 -0.01 0.00 -0.96 0.00 0.00 56.93 56.38 3b5h s PHE 27 Cb -0.16 -2.17 -0.04 0.00 -0.34 0.00 0.00 43.02 40.31 3b5h s PHE 27 CO 0.00 0.42 0.13 0.99 -1.46 0.00 0.00 175.22 175.30 3b5h s THR 28 N -0.07 5.02 -0.11 0.12 2.01 -1.26 0.32 115.64 121.67 3b5h s THR 28 Ca 0.14 -0.38 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 3b5h s THR 28 Cb -0.12 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 69.08 3b5h s THR 28 CO 0.03 0.28 0.25 -0.89 -0.69 0.00 0.00 174.62 173.60 3b5h s THR 29 N -1.31 -0.03 -0.13 -0.82 2.01 0.23 -5.00 115.64 110.58 3b5h s THR 29 Ca 0.27 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.39 3b5h s THR 29 Cb -0.12 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.02 3b5h s THR 29 CO 0.18 0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.34 3b5h s VAL 30 N 1.08 1.49 -0.03 3.82 1.01 -1.26 -1.15 120.40 125.36 3b5h s VAL 30 Ca -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3b5h s VAL 30 Cb -0.09 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.91 3b5h s VAL 30 CO -0.07 0.44 -0.03 -0.70 0.00 0.00 0.00 175.10 174.74 3b5h s GLU 31 N 1.39 0.50 -0.22 2.72 2.12 -0.93 -5.00 118.70 119.28 3b5h s GLU 31 Ca 0.02 -0.07 -0.23 0.00 0.36 0.00 0.00 54.97 55.05 3b5h s GLU 31 Cb -0.13 -0.56 -0.01 0.00 0.26 0.00 0.00 34.13 33.68 3b5h s GLU 31 CO -0.08 -0.04 0.76 0.34 -0.54 0.00 0.00 175.26 175.70 3b5h s ASP 32 N 0.60 6.79 -0.05 -1.70 -1.08 -1.26 0.55 116.67 120.52 3b5h s ASP 32 Ca -0.07 0.97 -0.03 0.00 -0.52 0.00 0.00 52.55 52.90 3b5h s ASP 32 Cb -0.10 -2.41 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 3b5h s ASP 32 CO -0.01 -0.42 -0.07 0.18 0.52 0.00 0.00 175.17 175.38 3b5h n LEU 33 N 5.59 0.60 0.00 -1.34 4.77 -0.26 -4.93 117.00 121.43 3b5h n LEU 33 Ca 0.03 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3b5h n LEU 33 Cb 0.48 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3b5h n LEU 33 CO 0.46 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 3b5h n GLY 34 N 1.67 2.50 0.25 -0.72 0.00 -1.26 -4.93 105.19 102.70 3b5h n GLY 34 Ca -0.03 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3b5h n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3b5h h SER 35 N 0.00 0.00 -0.58 1.61 4.64 -1.98 -3.45 113.55 113.79 3b5h h SER 35 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3b5h h SER 35 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 3b5h h SER 35 CO 0.00 0.14 -0.41 -1.59 -0.87 0.00 0.00 176.83 174.09 3b5h s LYS 36 N -4.43 2.22 -0.06 4.77 -2.85 -1.26 -3.71 119.74 114.43 3b5h s LYS 36 Ca -0.04 -2.17 0.05 0.00 -1.00 0.00 0.00 55.97 52.82 3b5h s LYS 36 Cb 0.14 -1.84 -0.01 0.00 -2.06 0.00 0.00 37.83 34.07 3b5h s LYS 36 CO 0.63 -0.46 -0.22 0.42 0.10 0.00 0.00 175.35 175.83 3b5h s ILE 37 N -2.80 1.80 -0.46 3.79 1.01 -1.12 -1.10 121.20 122.31 3b5h s ILE 37 Ca 0.22 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 3b5h s ILE 37 Cb 0.00 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 41.00 3b5h s ILE 37 CO 0.13 0.50 0.38 -0.22 0.00 0.00 0.00 174.94 175.74 3b5h s LEU 38 N 0.02 5.55 0.07 2.97 2.96 0.19 -2.15 118.68 128.29 3b5h s LEU 38 Ca -0.07 -1.29 -0.24 0.00 -0.22 0.00 0.00 54.13 52.32 3b5h s LEU 38 Cb -0.14 -2.17 -0.06 0.00 0.50 0.00 0.00 46.19 44.32 3b5h s LEU 38 CO 0.04 -0.62 0.73 -0.76 -1.32 0.00 0.00 176.35 174.42 3b5h s LEU 39 N 1.64 4.49 -0.02 -0.68 1.02 0.11 -2.20 118.68 123.04 3b5h s LEU 39 Ca 0.04 1.44 -0.01 0.00 0.02 0.00 0.00 54.13 55.63 3b5h s LEU 39 Cb -0.24 -3.17 0.02 0.00 0.02 0.00 0.00 46.19 42.82 3b5h s LEU 39 CO 0.07 0.10 0.03 -0.89 0.02 0.00 0.00 176.35 175.68 3b5h s THR 40 N -0.45 -0.03 -0.03 5.49 2.01 -0.30 -1.39 115.64 120.93 3b5h s THR 40 Ca 0.36 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.53 3b5h s THR 40 Cb -0.21 -0.07 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 3b5h s THR 40 CO 0.23 0.04 -0.24 0.00 -0.69 0.00 0.00 174.62 173.96 3b5h s SER 42 N -0.54 1.32 -0.16 0.00 0.15 0.15 -1.29 113.70 113.33 3b5h s SER 42 Ca 0.08 -0.21 -0.08 0.00 0.70 0.00 0.00 55.95 56.44 3b5h s SER 42 Cb -0.11 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.72 3b5h s SER 42 CO 0.00 0.05 0.10 -0.22 1.20 0.00 0.00 173.24 174.38 3b5h s LEU 43 N 0.35 4.11 -0.01 3.45 2.96 -0.85 0.15 118.68 128.84 3b5h s LEU 43 Ca -0.06 0.26 0.06 0.00 -0.22 0.00 0.00 54.13 54.16 3b5h s LEU 43 Cb -0.11 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 3b5h s LEU 43 CO 0.01 0.27 -0.19 0.21 -1.32 0.00 0.00 176.35 175.33 3b5h s ASN 44 N -0.17 2.22 -1.60 3.68 2.47 -0.40 -4.83 114.94 116.30 3b5h s ASN 44 Ca 0.09 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.03 3b5h s ASN 44 Cb -0.12 -0.25 0.00 0.00 -1.45 0.00 0.00 41.25 39.44 3b5h s ASN 44 CO 0.01 0.23 0.00 0.47 -3.72 0.00 0.00 177.10 174.09 3b5h n ASP 45 N 2.61 -4.98 -4.73 -4.21 9.92 -1.26 -3.38 116.55 110.51 3b5h n ASP 45 Ca -0.15 0.19 -0.36 0.00 -0.53 0.00 0.00 54.79 53.94 3b5h n ASP 45 Cb 0.53 -4.02 -0.07 0.00 -0.64 0.00 0.00 41.12 36.92 3b5h n ASP 45 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3b5h s SER 46 N -2.52 6.37 0.00 -2.24 0.15 -1.26 -4.68 113.70 109.52 3b5h s SER 46 Ca 0.00 0.42 0.24 0.00 0.70 0.00 0.00 55.95 57.31 3b5h s SER 46 Cb 0.00 -2.15 0.35 0.00 -1.71 0.00 0.00 66.02 62.50 3b5h s SER 46 CO 0.00 0.13 1.30 0.00 1.20 0.00 0.00 173.24 175.87 3b5h n ALA 47 N 3.52 3.79 -2.72 5.45 0.00 -1.26 -4.96 120.51 124.33 3b5h n ALA 47 Ca -0.13 -0.42 -0.26 0.00 0.00 0.00 0.00 53.44 52.62 3b5h n ALA 47 Cb 0.52 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 3b5h n ALA 47 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3b5h s THR 48 N -2.94 5.16 -0.19 0.00 -1.32 -1.26 -5.05 115.64 110.03 3b5h s THR 48 Ca 0.12 -0.35 -0.23 0.00 -1.21 0.00 0.00 61.69 60.02 3b5h s THR 48 Cb 0.17 -3.77 -0.02 0.00 -1.51 0.00 0.00 72.50 67.38 3b5h s THR 48 CO 0.72 -0.28 0.73 -1.61 -2.21 0.00 0.00 174.62 171.97 3b5h s GLU 49 N -3.59 4.24 -0.11 7.08 2.02 -1.26 -5.01 118.70 122.07 3b5h s GLU 49 Ca 0.39 0.81 -0.28 0.00 0.02 0.00 0.00 54.97 55.91 3b5h s GLU 49 Cb -0.11 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 3b5h s GLU 49 CO 0.30 -0.30 0.92 0.08 0.02 0.00 0.00 175.26 176.29 3b5h s VAL 50 N 2.09 4.85 -2.20 2.63 1.01 -1.26 -4.60 120.40 122.92 3b5h s VAL 50 Ca 0.33 1.87 0.19 0.00 0.00 0.00 0.00 61.98 64.37 3b5h s VAL 50 Cb -0.16 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.08 3b5h s VAL 50 CO 0.11 0.05 1.06 0.35 0.00 0.00 0.00 175.10 176.68 3b5h n THR 51 N 4.44 0.00 -0.57 3.92 -2.24 0.26 -4.34 114.28 115.76 3b5h n THR 51 Ca 0.06 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3b5h n THR 51 Cb 0.49 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 3b5h n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b5h n GLY 52 N 1.17 -2.16 3.20 3.38 0.00 -0.91 -2.61 105.19 107.25 3b5h n GLY 52 Ca 0.10 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 3b5h n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b5h s HIS 53 N -2.16 -0.01 -0.04 1.61 0.09 -1.26 -1.37 115.29 112.15 3b5h s HIS 53 Ca 0.00 -0.14 -0.04 0.00 -0.00 0.00 0.00 55.06 54.88 3b5h s HIS 53 Cb 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 32.58 32.60 3b5h s HIS 53 CO 0.00 -0.43 0.11 0.50 -0.00 0.00 0.00 174.74 174.93 3b5h s ARG 54 N -2.28 0.16 -0.07 1.40 3.52 0.91 -0.47 118.95 122.13 3b5h s ARG 54 Ca -0.07 0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 3b5h s ARG 54 Cb -0.02 0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.46 3b5h s ARG 54 CO -0.02 -0.02 -0.12 -1.58 -0.81 0.00 0.00 175.30 172.75 3b5h s TRP 55 N -0.07 1.41 0.26 5.12 0.52 0.22 -0.10 118.94 126.30 3b5h s TRP 55 Ca -0.01 -0.52 0.08 0.00 0.02 0.00 0.00 56.10 55.67 3b5h s TRP 55 Cb -0.02 -1.05 -0.05 0.00 -1.15 0.00 0.00 33.47 31.20 3b5h s TRP 55 CO 0.00 -0.28 -0.13 -0.51 0.02 0.00 0.00 176.95 176.06 3b5h s LEU 56 N 0.72 2.56 -0.35 2.99 1.43 -0.69 -0.44 118.68 124.90 3b5h s LEU 56 Ca -0.14 -1.09 0.04 0.00 -1.03 0.00 0.00 54.13 51.91 3b5h s LEU 56 Cb -0.16 -0.78 0.17 0.00 0.03 0.00 0.00 46.19 45.45 3b5h s LEU 56 CO 0.03 -0.18 0.46 -0.75 0.23 0.00 0.00 176.35 176.14 3b5h s LYS 57 N -3.64 0.59 0.00 1.70 2.20 -1.26 -2.14 119.74 117.20 3b5h s LYS 57 Ca 0.27 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 3b5h s LYS 57 Cb 0.00 -0.33 0.00 0.00 -1.51 0.00 0.00 37.83 35.99 3b5h s LYS 57 CO 0.11 -1.13 0.00 0.41 -0.36 0.00 0.00 175.35 174.38 3b5h n GLY 58 N 4.76 0.09 3.81 5.54 0.00 -1.26 -4.76 105.19 113.37 3b5h n GLY 58 Ca 0.07 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3b5h n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b5h s GLY 59 N 0.00 2.82 -0.01 -0.02 0.00 -1.26 -5.12 107.32 103.73 3b5h s GLY 59 Ca 0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 44.72 43.92 3b5h s GLY 59 CO 0.00 -2.12 0.52 -1.34 0.00 0.00 0.00 173.10 170.17 3b5h s VAL 60 N -2.85 4.96 -0.05 1.40 -7.23 -1.26 -4.33 120.40 111.03 3b5h s VAL 60 Ca 0.14 1.09 0.06 0.00 -1.81 0.00 0.00 61.98 61.46 3b5h s VAL 60 Cb 0.00 -3.85 -0.09 0.00 0.56 0.00 0.00 36.38 33.00 3b5h s VAL 60 CO 0.09 0.46 0.05 0.52 -0.31 0.00 0.00 175.10 175.91 3b5h n VAL 61 N 2.52 0.37 -3.74 1.32 0.31 0.41 -4.96 118.33 114.56 3b5h n VAL 61 Ca -0.09 -0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 63.84 3b5h n VAL 61 Cb 0.51 -0.60 -0.15 0.00 -0.91 0.00 0.00 33.84 32.70 3b5h n VAL 61 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3b5h s LEU 62 N -4.30 0.69 -0.01 7.52 2.96 -1.11 -5.01 118.68 119.42 3b5h s LEU 62 Ca -0.03 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 3b5h s LEU 62 Cb 0.02 0.33 -0.01 0.00 0.50 0.00 0.00 46.19 47.04 3b5h s LEU 62 CO 0.28 -0.15 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.29 3b5h s LYS 63 N 1.23 0.92 0.00 1.98 2.47 -1.26 -0.61 119.74 124.47 3b5h s LYS 63 Ca -0.08 -0.42 0.00 0.00 -1.56 0.00 0.00 55.97 53.91 3b5h s LYS 63 Cb -0.12 -0.89 0.00 0.00 -1.46 0.00 0.00 37.83 35.37 3b5h s LYS 63 CO -0.06 0.24 0.00 -0.85 0.16 0.00 0.00 175.35 174.84 3b5h n GLU 64 N 2.77 1.67 0.00 4.03 0.28 0.38 -4.98 120.64 124.79 3b5h n GLU 64 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 3b5h n GLU 64 Cb 0.56 -0.14 0.00 0.00 1.43 0.00 0.00 31.44 33.29 3b5h n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3b5h n ASP 65 N -0.20 0.00 0.30 -1.84 8.00 -1.26 -3.18 116.55 118.37 3b5h n ASP 65 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 3b5h n ASP 65 Cb 0.00 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 41.51 3b5h n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3b5h h ALA 66 N -0.71 1.56 -1.31 2.24 0.00 -1.91 -2.73 119.26 116.40 3b5h h ALA 66 Ca 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 54.91 54.11 3b5h h ALA 66 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.81 3b5h h ALA 66 CO 0.00 -0.56 0.77 1.28 0.00 0.00 0.00 179.25 180.74 3b5h n LEU 67 N -2.56 1.81 -1.99 0.00 4.77 -1.19 -4.70 117.00 113.13 3b5h n LEU 67 Ca -0.01 1.13 -0.21 0.00 -0.03 0.00 0.00 56.01 56.88 3b5h n LEU 67 Cb 0.62 -1.03 0.16 0.00 -2.33 0.00 0.00 43.42 40.84 3b5h n LEU 67 CO 0.07 -0.67 1.14 -0.81 -1.33 0.00 0.00 177.39 175.78 3b5h n PRO 68 N 4.59 2.26 -1.06 3.23 -0.04 -1.26 -2.15 135.00 140.58 3b5h n PRO 68 Ca 0.28 -3.14 -0.31 0.00 -0.04 0.00 0.00 63.50 60.29 3b5h n PRO 68 Cb 0.05 -2.12 0.12 0.00 -0.04 0.00 0.00 33.50 31.52 3b5h n PRO 68 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3b5h s GLY 69 N -1.76 1.68 -0.02 0.55 0.00 -1.26 -4.77 107.32 101.74 3b5h s GLY 69 Ca 0.55 0.38 0.18 0.00 0.00 0.00 0.00 44.72 45.83 3b5h s GLY 69 CO 0.06 0.75 0.51 -1.06 0.00 0.00 0.00 173.10 173.36 3b5h n GLN 70 N -3.78 0.74 -4.58 2.90 6.02 -1.26 -4.89 117.38 112.52 3b5h n GLN 70 Ca 0.10 -0.12 -0.31 0.00 -0.01 0.00 0.00 57.00 56.67 3b5h n GLN 70 Cb 0.53 -1.40 -0.12 0.00 1.02 0.00 0.00 30.24 30.26 3b5h n GLN 70 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3b5h s LYS 71 N -3.08 2.08 0.07 -1.09 2.20 -1.26 -2.00 119.74 116.65 3b5h s LYS 71 Ca -0.03 -0.98 0.06 0.00 -0.36 0.00 0.00 55.97 54.66 3b5h s LYS 71 Cb 0.12 -2.21 -0.03 0.00 -1.51 0.00 0.00 37.83 34.20 3b5h s LYS 71 CO 0.75 0.54 -0.16 0.99 -0.36 0.00 0.00 175.35 177.10 3b5h s THR 72 N -0.97 1.27 0.38 3.43 2.01 -0.41 -5.01 115.64 116.35 3b5h s THR 72 Ca 0.15 -1.26 0.08 0.00 0.31 0.00 0.00 61.69 60.97 3b5h s THR 72 Cb -0.11 -1.18 -0.07 0.00 0.01 0.00 0.00 72.50 71.15 3b5h s THR 72 CO 0.06 -0.10 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.26 3b5h s GLU 73 N -1.57 1.90 -0.29 4.92 2.02 -1.26 -1.53 118.70 122.89 3b5h s GLU 73 Ca 0.01 -2.04 -0.16 0.00 0.02 0.00 0.00 54.97 52.80 3b5h s GLU 73 Cb -0.09 -1.64 0.13 0.00 0.10 0.00 0.00 34.13 32.63 3b5h s GLU 73 CO 0.02 0.01 0.92 0.12 0.02 0.00 0.00 175.26 176.36 3b5h s PHE 74 N -2.69 -0.67 0.02 1.61 5.36 -0.48 -4.97 117.98 116.15 3b5h s PHE 74 Ca 0.34 1.34 0.03 0.00 -0.96 0.00 0.00 56.93 57.68 3b5h s PHE 74 Cb 0.07 0.40 -0.04 0.00 -0.34 0.00 0.00 43.02 43.12 3b5h s PHE 74 CO 0.17 -0.33 -0.02 0.15 -1.46 0.00 0.00 175.22 173.73 3b5h s LYS 75 N 1.37 2.67 -0.11 10.12 1.02 -1.26 -0.71 119.74 132.83 3b5h s LYS 75 Ca -0.09 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.21 3b5h s LYS 75 Cb -0.04 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.70 3b5h s LYS 75 CO -0.16 0.60 -0.10 0.08 -0.92 0.00 0.00 175.35 174.85 3b5h s VAL 76 N -1.10 1.18 0.57 3.17 1.01 -0.91 -4.96 120.40 119.36 3b5h s VAL 76 Ca 0.20 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 3b5h s VAL 76 Cb -0.11 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3b5h s VAL 76 CO 0.11 0.39 1.26 -0.62 0.00 0.00 0.00 175.10 176.24 3b5h s ASP 77 N 1.43 5.22 0.45 3.32 2.15 -1.26 -2.80 116.67 125.17 3b5h s ASP 77 Ca 0.01 2.53 0.30 0.00 0.43 0.00 0.00 52.55 55.81 3b5h s ASP 77 Cb -0.13 -2.61 1.39 0.00 -0.30 0.00 0.00 42.92 41.26 3b5h s ASP 77 CO -0.06 -1.58 1.67 0.77 -0.17 0.00 0.00 175.17 175.80 3b5h h SER 78 N 1.13 0.25 0.69 -0.34 4.64 -1.97 0.14 113.55 118.09 3b5h h SER 78 Ca -0.51 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3b5h h SER 78 Cb 1.30 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3b5h h SER 78 CO 0.56 -0.09 0.00 0.47 -0.87 0.00 0.00 176.83 176.90 3b5h n ASP 79 N -4.57 0.00 -0.29 4.97 8.00 -1.26 -3.25 116.55 120.14 3b5h n ASP 79 Ca 0.34 0.34 0.03 0.00 0.71 0.00 0.00 54.79 56.21 3b5h n ASP 79 Cb 1.33 -0.44 0.06 0.00 -0.02 0.00 0.00 41.12 42.05 3b5h n ASP 79 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3b5h n ASP 80 N -1.44 2.08 -4.04 -2.24 8.00 0.50 -4.92 116.55 114.49 3b5h n ASP 80 Ca 0.07 -1.69 -0.41 0.00 0.71 0.00 0.00 54.79 53.48 3b5h n ASP 80 Cb 0.25 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 3b5h n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3b5h n GLN 81 N 0.15 2.45 -3.57 -1.24 6.02 -1.20 -4.77 117.38 115.23 3b5h n GLN 81 Ca 0.05 -2.58 -0.12 0.00 -0.01 0.00 0.00 57.00 54.34 3b5h n GLN 81 Cb 0.26 -3.32 -0.05 0.00 1.02 0.00 0.00 30.24 28.15 3b5h n GLN 81 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 3b5h s TRP 82 N 4.97 -0.45 0.00 1.08 1.48 -1.26 -4.84 118.94 119.92 3b5h s TRP 82 Ca 0.54 0.79 0.00 0.00 -1.06 0.00 0.00 56.10 56.37 3b5h s TRP 82 Cb 0.10 0.43 0.00 0.00 -1.16 0.00 0.00 33.47 32.84 3b5h s TRP 82 CO 0.03 -0.40 0.00 0.41 -4.06 0.00 0.00 176.95 172.93 3b5h n GLY 83 N 0.85 -2.58 3.54 3.67 0.00 -1.20 -4.84 105.19 104.63 3b5h n GLY 83 Ca -0.13 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 3b5h n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3b5h s GLU 84 N -0.44 3.59 0.33 1.61 2.12 -1.26 -1.29 118.70 123.36 3b5h s GLU 84 Ca 0.00 -0.57 -0.10 0.00 0.36 0.00 0.00 54.97 54.66 3b5h s GLU 84 Cb 0.00 -3.78 -0.07 0.00 0.26 0.00 0.00 34.13 30.55 3b5h s GLU 84 CO 0.00 -0.39 0.68 0.71 -0.54 0.00 0.00 175.26 175.72 3b5h s TYR 85 N 1.73 3.44 -0.00 5.30 1.51 0.80 -4.65 117.35 125.49 3b5h s TYR 85 Ca 0.06 0.96 0.01 0.00 -1.01 0.00 0.00 57.07 57.09 3b5h s TYR 85 Cb -0.17 -2.36 -0.00 0.00 -0.11 0.00 0.00 41.96 39.32 3b5h s TYR 85 CO 0.11 0.06 -0.02 -1.54 -1.11 0.00 0.00 175.55 173.04 3b5h s SER 86 N -2.85 0.24 0.09 2.29 1.04 -0.91 -0.23 113.70 113.38 3b5h s SER 86 Ca 0.50 -0.05 -0.26 0.00 0.48 0.00 0.00 55.95 56.61 3b5h s SER 86 Cb -0.11 -0.02 -0.06 0.00 0.10 0.00 0.00 66.02 65.93 3b5h s SER 86 CO 0.26 0.02 0.81 0.00 0.98 0.00 0.00 173.24 175.31 3b5h s VAL 88 N -0.33 0.53 -0.10 0.00 1.01 0.86 -2.84 120.40 119.53 3b5h s VAL 88 Ca 0.40 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 3b5h s VAL 88 Cb -0.22 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3b5h s VAL 88 CO 0.25 0.28 0.63 -0.36 0.00 0.00 0.00 175.10 175.90 3b5h s PHE 89 N 1.84 3.54 -0.06 5.22 0.40 -0.20 -0.06 117.98 128.66 3b5h s PHE 89 Ca 0.04 1.11 -0.03 0.00 -0.60 0.00 0.00 56.93 57.45 3b5h s PHE 89 Cb -0.12 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.64 3b5h s PHE 89 CO -0.06 0.08 0.09 -0.51 0.70 0.00 0.00 175.22 175.53 3b5h s LEU 90 N 0.87 4.02 0.40 -0.37 1.02 -0.47 -3.94 118.68 120.21 3b5h s LEU 90 Ca 0.33 0.27 -0.16 0.00 0.02 0.00 0.00 54.13 54.58 3b5h s LEU 90 Cb -0.17 -2.14 -0.09 0.00 0.02 0.00 0.00 46.19 43.81 3b5h s LEU 90 CO 0.15 0.34 0.85 -2.16 0.02 0.00 0.00 176.35 175.54 3b5h s PRO 91 N -1.34 4.03 0.53 1.29 0.04 -1.26 -0.58 135.00 137.73 3b5h s PRO 91 Ca 0.19 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 3b5h s PRO 91 Cb -0.12 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 3b5h s PRO 91 CO 0.09 0.01 1.10 -1.21 0.04 0.00 0.00 177.00 177.02 3b5h s GLU 92 N -3.34 3.45 -0.57 4.56 2.02 -1.25 -2.47 118.70 121.09 3b5h s GLU 92 Ca 0.57 1.51 -0.01 0.00 0.02 0.00 0.00 54.97 57.07 3b5h s GLU 92 Cb -0.10 -2.03 0.46 0.00 0.10 0.00 0.00 34.13 32.56 3b5h s GLU 92 CO 0.20 -0.75 2.00 -0.35 0.02 0.00 0.00 175.26 176.38 3b5h n PRO 93 N -1.29 2.47 -0.28 0.39 -0.04 -1.26 -5.07 135.00 129.92 3b5h n PRO 93 Ca 0.11 -2.98 -0.08 0.00 -0.04 0.00 0.00 63.50 60.51 3b5h n PRO 93 Cb 0.51 -2.17 -0.07 0.00 -0.04 0.00 0.00 33.50 31.73 3b5h n PRO 93 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 3b5h h MET 94 N 1.71 -0.02 -1.83 0.54 4.05 -1.68 -3.45 114.93 114.25 3b5h h MET 94 Ca 0.57 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.99 3b5h h MET 94 Cb 1.24 0.00 -0.21 0.00 -0.80 0.00 0.00 31.60 31.83 3b5h h MET 94 CO 1.38 -0.01 0.31 0.20 0.23 0.00 0.00 176.91 179.02 3b5h s GLY 95 N -2.06 -0.45 -0.26 1.39 0.00 -1.26 -4.87 107.32 99.82 3b5h s GLY 95 Ca -0.09 1.73 -0.20 0.00 0.00 0.00 0.00 44.72 46.17 3b5h s GLY 95 CO 0.44 1.15 0.66 -1.08 0.00 0.00 0.00 173.10 174.27 3b5h s THR 96 N -0.86 -0.00 0.11 0.90 -1.32 -1.26 -1.03 115.64 112.18 3b5h s THR 96 Ca -0.06 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 3b5h s THR 96 Cb -0.01 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 3b5h s THR 96 CO 0.05 0.00 -0.00 0.00 -2.21 0.00 0.00 174.62 172.46 3b5h s ALA 97 N 0.84 0.92 0.05 11.08 0.00 -1.13 -4.86 121.76 128.66 3b5h s ALA 97 Ca -0.04 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.57 3b5h s ALA 97 Cb -0.05 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 3b5h s ALA 97 CO -0.07 -0.37 -0.15 -0.80 0.00 0.00 0.00 175.76 174.37 3b5h s ASN 98 N -3.05 4.03 -0.13 0.00 0.01 -1.26 -1.23 114.94 113.30 3b5h s ASN 98 Ca 0.18 -0.39 -0.00 0.00 -0.71 0.00 0.00 52.86 51.93 3b5h s ASN 98 Cb 0.07 -0.71 0.03 0.00 0.41 0.00 0.00 41.25 41.05 3b5h s ASN 98 CO -0.02 0.24 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.09 3b5h s ILE 99 N -1.01 1.23 -0.37 0.60 1.01 0.68 -4.98 121.20 118.36 3b5h s ILE 99 Ca 0.16 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 3b5h s ILE 99 Cb -0.11 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.14 3b5h s ILE 99 CO 0.07 0.36 0.23 -1.58 0.00 0.00 0.00 174.94 174.03 3b5h s GLN 100 N 1.62 3.13 -0.32 2.79 2.00 -1.26 -0.14 119.66 127.48 3b5h s GLN 100 Ca 0.04 -0.89 -0.21 0.00 -2.00 0.00 0.00 55.36 52.31 3b5h s GLN 100 Cb -0.13 -3.80 -0.01 0.00 0.80 0.00 0.00 33.01 29.88 3b5h s GLN 100 CO -0.09 -0.60 0.65 -0.51 -0.50 0.00 0.00 175.29 174.24 3b5h s LEU 101 N 1.65 4.16 0.51 3.68 1.43 -0.41 -5.01 118.68 124.69 3b5h s LEU 101 Ca 0.04 0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 53.35 3b5h s LEU 101 Cb -0.18 -2.84 -0.07 0.00 0.03 0.00 0.00 46.19 43.12 3b5h s LEU 101 CO 0.09 -0.52 1.05 -1.00 0.23 0.00 0.00 176.35 176.19 3b5h s HIS 102 N 2.68 2.99 0.00 0.29 3.76 -1.26 -3.24 115.29 120.50 3b5h s HIS 102 Ca 0.26 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.73 3b5h s HIS 102 Cb -0.15 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.49 3b5h s HIS 102 CO 0.13 -0.93 0.00 0.41 -0.85 0.00 0.00 174.74 173.50 3b5h n GLY 103 N -0.43 -0.39 3.60 -2.22 0.00 -0.98 -4.85 105.19 99.92 3b5h n GLY 103 Ca 0.09 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 3b5h n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3b5h n PRO 104 N -0.18 -1.09 -1.38 1.61 -0.02 -1.26 -4.24 135.00 128.45 3b5h n PRO 104 Ca 0.00 -0.26 -0.38 0.00 -2.02 0.00 0.00 63.50 60.84 3b5h n PRO 104 Cb 0.00 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.21 3b5h n PRO 104 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3b5h n PRO 105 N -4.41 0.33 -3.61 0.52 -0.02 -1.26 -4.86 135.00 121.69 3b5h n PRO 105 Ca 0.09 0.13 -0.27 0.00 -2.02 0.00 0.00 63.50 61.43 3b5h n PRO 105 Cb 0.53 -1.49 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 3b5h n PRO 105 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3b5h s ARG 106 N -1.83 0.19 -0.05 -0.52 0.52 -1.26 -4.57 118.95 111.43 3b5h s ARG 106 Ca 0.64 -0.29 0.06 0.00 -0.52 0.00 0.00 55.73 55.63 3b5h s ARG 106 Cb -0.45 -1.67 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 3b5h s ARG 106 CO 0.59 -0.78 -0.24 0.54 0.02 0.00 0.00 175.30 175.42 3b5h s VAL 107 N 2.08 2.00 0.15 3.52 0.11 -1.26 -4.06 120.40 122.93 3b5h s VAL 107 Ca 0.04 -1.04 0.09 0.00 -2.93 0.00 0.00 61.98 58.14 3b5h s VAL 107 Cb -0.16 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 3b5h s VAL 107 CO -0.18 0.56 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.40 3b5h s LYS 108 N -0.21 1.28 0.36 1.54 1.02 -0.75 -4.46 119.74 118.52 3b5h s LYS 108 Ca -0.02 -1.34 -0.19 0.00 0.02 0.00 0.00 55.97 54.44 3b5h s LYS 108 Cb -0.13 -1.49 -0.10 0.00 -0.52 0.00 0.00 37.83 35.59 3b5h s LYS 108 CO 0.03 0.33 0.85 0.00 -0.92 0.00 0.00 175.35 175.64 3b5h s ALA 109 N -1.59 3.19 0.09 5.17 0.00 -1.26 -0.84 121.76 126.52 3b5h s ALA 109 Ca 0.13 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 3b5h s ALA 109 Cb -0.08 -2.99 -0.18 0.00 0.00 0.00 0.00 23.12 19.87 3b5h s ALA 109 CO 0.06 0.22 1.26 0.28 0.00 0.00 0.00 175.76 177.58 3b5h h VAL 110 N 2.09 1.29 -3.35 0.00 2.07 -1.80 -3.43 116.25 113.11 3b5h h VAL 110 Ca -0.48 -2.05 -0.40 0.00 0.82 0.00 0.00 66.70 64.59 3b5h h VAL 110 Cb 1.18 2.14 -0.37 0.00 -1.52 0.00 0.00 31.29 32.72 3b5h h VAL 110 CO 0.63 0.64 -0.76 -0.54 0.02 0.00 0.00 177.57 177.57 3b5h s LYS 111 N -3.59 0.48 0.06 1.57 1.02 -1.26 -5.03 119.74 112.98 3b5h s LYS 111 Ca -0.10 0.10 0.22 0.00 0.02 0.00 0.00 55.97 56.21 3b5h s LYS 111 Cb 0.08 -0.77 0.91 0.00 -0.52 0.00 0.00 37.83 37.52 3b5h s LYS 111 CO 0.90 -0.23 1.70 0.43 -0.92 0.00 0.00 175.35 177.23 3b5h n SER 112 N 4.76 0.18 -3.65 2.83 7.64 -1.26 -4.74 113.62 119.38 3b5h n SER 112 Ca -0.14 0.53 -0.03 0.00 1.01 0.00 0.00 58.87 60.24 3b5h n SER 112 Cb 0.50 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 3b5h n SER 112 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3b5h s SER 113 N -3.33 -1.05 0.10 6.43 1.04 -1.26 -1.05 113.70 114.58 3b5h s SER 113 Ca 0.10 1.53 0.06 0.00 0.48 0.00 0.00 55.95 58.12 3b5h s SER 113 Cb 0.13 1.98 -0.04 0.00 0.10 0.00 0.00 66.02 68.20 3b5h s SER 113 CO 0.41 -0.23 -0.05 -1.61 0.98 0.00 0.00 173.24 172.74 3b5h s GLU 114 N 2.49 2.31 -0.46 4.02 0.41 -1.04 -5.01 118.70 121.43 3b5h s GLU 114 Ca -0.07 -0.95 0.03 0.00 -0.41 0.00 0.00 54.97 53.56 3b5h s GLU 114 Cb -0.10 -2.40 0.13 0.00 -1.78 0.00 0.00 34.13 29.98 3b5h s GLU 114 CO -0.19 0.52 0.25 -1.58 -0.49 0.00 0.00 175.26 173.76 3b5h s HIS 115 N -1.29 2.25 -0.09 1.61 2.46 -1.26 -1.72 115.29 117.25 3b5h s HIS 115 Ca 0.24 -2.60 0.03 0.00 0.47 0.00 0.00 55.06 53.20 3b5h s HIS 115 Cb -0.11 -2.09 -0.01 0.00 -0.13 0.00 0.00 32.58 30.23 3b5h s HIS 115 CO 0.16 -0.77 -0.17 0.42 -2.47 0.00 0.00 174.74 171.91 3b5h s ILE 116 N 0.20 2.72 0.71 0.89 1.01 -0.41 -4.77 121.20 121.54 3b5h s ILE 116 Ca 0.18 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3b5h s ILE 116 Cb -0.24 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.16 3b5h s ILE 116 CO -0.00 0.56 1.08 0.54 0.00 0.00 0.00 174.94 177.11 3b5h s ASN 117 N -0.03 5.41 0.37 3.58 6.03 -1.26 -0.33 114.94 128.70 3b5h s ASN 117 Ca -0.05 1.29 -0.25 0.00 -1.03 0.00 0.00 52.86 52.82 3b5h s ASN 117 Cb -0.14 -2.14 -0.12 0.00 -3.03 0.00 0.00 41.25 35.81 3b5h s ASN 117 CO 0.04 -1.38 0.93 -0.62 -2.03 0.00 0.00 177.10 174.04 3b5h n GLU 118 N -3.06 1.22 0.00 3.55 1.02 -1.26 -2.76 120.64 119.35 3b5h n GLU 118 Ca 0.07 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 3b5h n GLU 118 Cb 0.56 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3b5h n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b5h n GLY 119 N 1.30 2.61 2.12 0.62 0.00 -0.32 -4.86 105.19 106.66 3b5h n GLY 119 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 3b5h n GLY 119 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3b5h n GLU 120 N -1.10 -1.88 -5.16 1.61 2.13 -1.11 -3.59 120.64 111.55 3b5h n GLU 120 Ca 0.00 -1.08 -0.32 0.00 0.66 0.00 0.00 57.16 56.42 3b5h n GLU 120 Cb 0.00 -0.92 -0.16 0.00 0.27 0.00 0.00 31.44 30.62 3b5h n GLU 120 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3b5h s THR 121 N -2.31 2.26 -0.02 6.31 2.01 -1.26 -1.59 115.64 121.03 3b5h s THR 121 Ca 0.43 -0.97 -0.20 0.00 0.31 0.00 0.00 61.69 61.26 3b5h s THR 121 Cb -0.03 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 3b5h s THR 121 CO 0.32 0.56 0.58 0.00 -0.69 0.00 0.00 174.62 175.39 3b5h s ALA 122 N 0.09 3.49 -0.28 7.40 0.00 -0.54 -4.93 121.76 126.99 3b5h s ALA 122 Ca -0.10 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3b5h s ALA 122 Cb -0.16 -2.73 0.06 0.00 0.00 0.00 0.00 23.12 20.30 3b5h s ALA 122 CO 0.06 0.14 -0.06 1.41 0.00 0.00 0.00 175.76 177.32 3b5h s MET 123 N -0.06 2.17 -0.19 0.00 0.00 -1.26 -1.41 119.30 118.55 3b5h s MET 123 Ca 0.30 -1.42 -0.07 0.00 0.00 0.00 0.00 55.69 54.51 3b5h s MET 123 Cb -0.18 -3.02 -0.04 0.00 0.00 0.00 0.00 34.83 31.60 3b5h s MET 123 CO 0.16 -0.65 0.05 -0.51 0.00 0.00 0.00 175.02 174.08 3b5h s LEU 124 N 1.11 3.66 0.01 4.11 1.43 -0.44 -4.95 118.68 123.60 3b5h s LEU 124 Ca -0.05 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 3b5h s LEU 124 Cb -0.20 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3b5h s LEU 124 CO -0.05 0.13 -0.13 -0.69 0.23 0.00 0.00 176.35 175.84 3b5h s VAL 125 N 0.65 3.17 0.09 -1.59 1.01 -1.26 -0.23 120.40 122.24 3b5h s VAL 125 Ca 0.03 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.14 3b5h s VAL 125 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3b5h s VAL 125 CO 0.02 0.41 -0.18 0.00 0.00 0.00 0.00 175.10 175.35 3b5h s LYS 127 N -1.82 1.01 -0.08 0.00 2.20 -0.02 -1.00 119.74 120.03 3b5h s LYS 127 Ca 0.03 -1.31 -0.22 0.00 -0.36 0.00 0.00 55.97 54.11 3b5h s LYS 127 Cb -0.10 -0.72 0.05 0.00 -1.51 0.00 0.00 37.83 35.54 3b5h s LYS 127 CO 0.03 0.12 0.50 0.45 -0.36 0.00 0.00 175.35 176.09 3b5h s SER 128 N -2.74 -0.45 0.00 1.43 0.15 -0.52 -1.80 113.70 109.77 3b5h s SER 128 Ca 0.11 0.57 0.02 0.00 0.70 0.00 0.00 55.95 57.35 3b5h s SER 128 Cb -0.02 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 3b5h s SER 128 CO 0.02 -0.44 0.41 -0.62 1.20 0.00 0.00 173.24 173.81 3b5h n GLU 129 N 1.55 1.59 -1.74 5.44 1.02 -1.26 -4.56 120.64 122.68 3b5h n GLU 129 Ca -0.19 -0.42 -0.39 0.00 -0.02 0.00 0.00 57.16 56.15 3b5h n GLU 129 Cb 0.56 -0.89 0.04 0.00 -0.02 0.00 0.00 31.44 31.13 3b5h n GLU 129 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3b5h n SER 130 N -0.26 2.71 -4.30 1.62 7.64 -1.26 -4.97 113.62 114.80 3b5h n SER 130 Ca 0.01 0.99 -0.31 0.00 1.01 0.00 0.00 58.87 60.57 3b5h n SER 130 Cb 0.04 -1.58 -0.16 0.00 -1.01 0.00 0.00 64.21 61.51 3b5h n SER 130 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3b5h s VAL 131 N -1.28 2.06 0.37 0.44 -7.23 -1.26 -3.19 120.40 110.31 3b5h s VAL 131 Ca 0.71 -1.10 -0.27 0.00 -1.81 0.00 0.00 61.98 59.51 3b5h s VAL 131 Cb -0.42 -1.71 -0.11 0.00 0.56 0.00 0.00 36.38 34.69 3b5h s VAL 131 CO 0.50 0.58 1.22 -0.81 -0.31 0.00 0.00 175.10 176.27 3b5h n PRO 132 N 2.56 1.88 -2.07 4.82 -0.04 -1.26 -2.32 135.00 138.57 3b5h n PRO 132 Ca -0.16 0.66 -0.36 0.00 -0.04 0.00 0.00 63.50 63.60 3b5h n PRO 132 Cb 0.51 -2.26 0.02 0.00 -0.04 0.00 0.00 33.50 31.74 3b5h n PRO 132 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3b5h s PRO 133 N -1.98 3.18 0.11 0.54 0.04 -1.19 -4.81 135.00 130.89 3b5h s PRO 133 Ca 0.59 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 63.14 3b5h s PRO 133 Cb -0.56 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 3b5h s PRO 133 CO 0.60 -1.04 1.64 0.08 0.04 0.00 0.00 177.00 178.32 3b5h s VAL 134 N -1.59 2.82 -0.41 -0.36 1.01 -1.24 -4.75 120.40 115.89 3b5h s VAL 134 Ca 0.74 0.42 0.10 0.00 0.00 0.00 0.00 61.98 63.24 3b5h s VAL 134 Cb -0.30 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 3b5h s VAL 134 CO 0.34 0.01 0.40 0.35 0.00 0.00 0.00 175.10 176.20 3b5h n THR 135 N 4.43 0.00 -3.56 3.92 -2.24 -0.95 -4.61 114.28 111.27 3b5h n THR 135 Ca 0.15 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 3b5h n THR 135 Cb 0.39 0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 69.37 3b5h n THR 135 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3b5h s ASP 136 N -2.14 1.27 -0.17 3.42 -1.08 -1.13 -5.04 116.67 111.80 3b5h s ASP 136 Ca 0.03 -0.07 -0.03 0.00 -0.52 0.00 0.00 52.55 51.96 3b5h s ASP 136 Cb 0.07 0.29 -0.02 0.00 -1.46 0.00 0.00 42.92 41.81 3b5h s ASP 136 CO 0.42 -0.30 -0.07 0.26 0.52 0.00 0.00 175.17 175.99 3b5h s TRP 137 N 2.30 2.93 0.04 -5.34 0.52 -1.26 -2.62 118.94 115.50 3b5h s TRP 137 Ca 0.05 -0.65 0.06 0.00 0.02 0.00 0.00 56.10 55.58 3b5h s TRP 137 Cb -0.15 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.18 3b5h s TRP 137 CO -0.10 -0.29 -0.18 0.00 0.02 0.00 0.00 176.95 176.41 3b5h s ALA 138 N 0.78 1.51 0.06 0.98 0.00 -0.86 -4.99 121.76 119.24 3b5h s ALA 138 Ca -0.03 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.06 3b5h s ALA 138 Cb -0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3b5h s ALA 138 CO 0.02 0.33 -0.15 -1.58 0.00 0.00 0.00 175.76 174.37 3b5h s TRP 139 N -0.77 2.63 -0.02 0.00 0.52 -1.26 -0.63 118.94 119.41 3b5h s TRP 139 Ca 0.05 -0.21 -0.02 0.00 0.02 0.00 0.00 56.10 55.94 3b5h s TRP 139 Cb -0.08 -1.45 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 3b5h s TRP 139 CO 0.01 0.33 0.05 0.71 0.02 0.00 0.00 176.95 178.07 3b5h s TYR 140 N -1.03 -0.05 -0.18 -1.98 1.51 0.35 -1.40 117.35 114.58 3b5h s TYR 140 Ca 0.17 0.11 -0.16 0.00 -1.01 0.00 0.00 57.07 56.19 3b5h s TYR 140 Cb -0.11 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.71 3b5h s TYR 140 CO 0.08 -0.04 0.39 0.21 -1.11 0.00 0.00 175.55 175.08 3b5h s LYS 141 N -0.06 4.21 -0.12 -0.62 2.47 0.40 -0.70 119.74 125.32 3b5h s LYS 141 Ca -0.01 0.21 -0.23 0.00 -1.56 0.00 0.00 55.97 54.38 3b5h s LYS 141 Cb -0.01 -3.50 -0.03 0.00 -1.46 0.00 0.00 37.83 32.83 3b5h s LYS 141 CO 0.00 0.03 0.72 0.42 0.16 0.00 0.00 175.35 176.68 3b5h s ILE 142 N 1.08 5.00 0.31 5.43 1.01 -0.62 -1.34 121.20 132.06 3b5h s ILE 142 Ca 0.19 1.43 0.05 0.00 0.00 0.00 0.00 60.65 62.33 3b5h s ILE 142 Cb -0.14 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 3b5h s ILE 142 CO 0.07 0.17 -0.01 -0.89 0.00 0.00 0.00 174.94 174.28 3b5h s THR 143 N 1.37 1.49 0.29 2.92 2.01 -1.21 -4.59 115.64 117.93 3b5h s THR 143 Ca 0.36 -2.06 0.04 0.00 0.31 0.00 0.00 61.69 60.33 3b5h s THR 143 Cb -0.17 -2.62 0.31 0.00 0.01 0.00 0.00 72.50 70.03 3b5h s THR 143 CO 0.15 -0.17 1.65 0.44 -0.69 0.00 0.00 174.62 176.00 3b5h h ASP 144 N 2.18 0.07 0.00 3.53 3.45 -2.03 -3.38 116.42 120.24 3b5h h ASP 144 Ca -0.41 0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.25 3b5h h ASP 144 Cb 1.24 0.25 0.00 0.00 -0.56 0.00 0.00 39.33 40.25 3b5h h ASP 144 CO 0.69 -0.15 0.00 -1.54 -1.57 0.00 0.00 179.24 176.68 3b5h n SER 145 N -5.20 0.00 -4.90 6.45 3.41 -1.26 -5.10 113.62 107.02 3b5h n SER 145 Ca 0.23 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.63 3b5h n SER 145 Cb 0.72 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.74 3b5h n SER 145 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3b5h s GLU 146 N 0.56 2.18 -0.21 4.33 2.12 -1.26 -5.10 118.70 121.33 3b5h s GLU 146 Ca 0.00 -1.33 -0.05 0.00 0.36 0.00 0.00 54.97 53.96 3b5h s GLU 146 Cb 0.00 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.83 3b5h s GLU 146 CO 0.00 -0.97 -0.02 -0.51 -0.54 0.00 0.00 175.26 173.22 3b5h s ASP 147 N -4.63 4.63 -0.16 -1.70 1.01 -1.26 -3.34 116.67 111.22 3b5h s ASP 147 Ca 0.62 -0.27 -0.29 0.00 0.71 0.00 0.00 52.55 53.32 3b5h s ASP 147 Cb -0.07 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 3b5h s ASP 147 CO 0.40 0.04 1.40 -0.75 0.21 0.00 0.00 175.17 176.47 3b5h s LYS 148 N 1.16 4.12 0.23 8.23 2.20 -0.45 -4.84 119.74 130.38 3b5h s LYS 148 Ca 0.03 1.73 -0.30 0.00 -0.36 0.00 0.00 55.97 57.07 3b5h s LYS 148 Cb -0.14 -3.87 -0.09 0.00 -1.51 0.00 0.00 37.83 32.21 3b5h s LYS 148 CO 0.01 -0.87 1.37 0.00 -0.36 0.00 0.00 175.35 175.50 3b5h s ALA 149 N 3.96 3.57 -0.62 3.13 0.00 -1.26 -0.45 121.76 130.09 3b5h s ALA 149 Ca 0.61 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.76 3b5h s ALA 149 Cb -0.24 -3.52 0.16 0.00 0.00 0.00 0.00 23.12 19.52 3b5h s ALA 149 CO 0.21 -0.63 0.43 -0.51 0.00 0.00 0.00 175.76 175.26 3b5h s LEU 150 N -0.31 5.22 0.55 0.00 1.43 -0.49 -4.90 118.68 120.19 3b5h s LEU 150 Ca 0.58 -2.85 -0.06 0.00 -1.03 0.00 0.00 54.13 50.76 3b5h s LEU 150 Cb -0.39 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 3b5h s LEU 150 CO 0.41 -0.37 0.87 -0.04 0.23 0.00 0.00 176.35 177.45 3b5h s MET 151 N -0.06 3.31 0.49 1.70 -1.94 -1.26 -4.44 119.30 117.10 3b5h s MET 151 Ca 0.17 0.22 0.24 0.00 -1.71 0.00 0.00 55.69 54.61 3b5h s MET 151 Cb -0.20 -2.28 1.30 0.00 2.01 0.00 0.00 34.83 35.65 3b5h s MET 151 CO -0.03 -0.46 1.92 -0.97 -0.01 0.00 0.00 175.02 175.47 3b5h h ASN 152 N -0.02 0.15 -0.01 3.03 -0.73 -1.92 -1.41 115.58 114.68 3b5h h ASN 152 Ca -0.46 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.72 3b5h h ASN 152 Cb 1.22 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.80 3b5h h ASN 152 CO 0.61 0.07 -0.72 0.61 -0.37 0.00 0.00 177.43 177.63 3b5h n GLY 153 N -1.62 -0.49 1.80 1.57 0.00 -1.25 -4.02 105.19 101.19 3b5h n GLY 153 Ca 0.16 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 3b5h n GLY 153 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3b5h n SER 154 N -0.88 0.24 -0.95 1.61 7.64 -0.53 -1.19 113.62 119.56 3b5h n SER 154 Ca 0.06 0.59 -0.08 0.00 1.01 0.00 0.00 58.87 60.44 3b5h n SER 154 Cb 0.35 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 3b5h n SER 154 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3b5h n GLU 155 N 1.26 -1.48 -2.52 1.43 1.02 -1.26 -1.15 120.64 117.93 3b5h n GLU 155 Ca 0.12 0.57 -0.17 0.00 -0.02 0.00 0.00 57.16 57.66 3b5h n GLU 155 Cb 0.01 -4.62 0.01 0.00 -0.02 0.00 0.00 31.44 26.82 3b5h n GLU 155 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3b5h n SER 156 N -0.02 -5.10 0.00 1.62 7.64 -0.34 -4.81 113.62 112.62 3b5h n SER 156 Ca -0.08 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.70 3b5h n SER 156 Cb 0.36 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 3b5h n SER 156 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3b5h n ARG 157 N -2.91 0.00 -3.66 1.43 1.85 -0.30 -5.02 116.66 108.05 3b5h n ARG 157 Ca -0.16 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.32 3b5h n ARG 157 Cb 0.63 -0.02 -0.11 0.00 -1.05 0.00 0.00 32.46 31.91 3b5h n ARG 157 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3b5h s PHE 158 N 0.00 3.19 0.06 2.89 0.08 -1.00 -1.16 117.98 122.03 3b5h s PHE 158 Ca 0.00 -0.04 0.08 0.00 0.12 0.00 0.00 56.93 57.08 3b5h s PHE 158 Cb 0.00 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 40.10 3b5h s PHE 158 CO 0.00 -0.20 -0.21 -0.06 -0.10 0.00 0.00 175.22 174.65 3b5h s PHE 159 N 1.62 1.85 -0.09 0.36 0.40 0.09 -3.76 117.98 118.46 3b5h s PHE 159 Ca 0.07 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 3b5h s PHE 159 Cb -0.15 -1.08 0.02 0.00 0.51 0.00 0.00 43.02 42.32 3b5h s PHE 159 CO 0.08 0.13 -0.07 0.08 0.70 0.00 0.00 175.22 176.14 3b5h s VAL 160 N -0.90 0.90 -0.17 -0.44 1.01 -1.26 0.71 120.40 120.26 3b5h s VAL 160 Ca 0.08 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3b5h s VAL 160 Cb -0.09 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.38 3b5h s VAL 160 CO 0.03 0.33 -0.17 -0.55 0.00 0.00 0.00 175.10 174.73 3b5h s SER 161 N 1.43 3.41 -0.01 3.32 0.15 -0.79 -4.94 113.70 116.27 3b5h s SER 161 Ca -0.01 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.12 3b5h s SER 161 Cb -0.13 -1.52 -0.01 0.00 -1.71 0.00 0.00 66.02 62.65 3b5h s SER 161 CO -0.04 0.05 -0.11 -0.44 1.20 0.00 0.00 173.24 173.90 3b5h s SER 162 N 1.03 1.29 0.43 5.45 0.01 -1.26 -0.77 113.70 119.88 3b5h s SER 162 Ca -0.01 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.06 3b5h s SER 162 Cb -0.15 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 65.87 3b5h s SER 162 CO -0.05 0.12 0.05 -1.20 0.41 0.00 0.00 173.24 172.56 3b5h n SER 163 N 2.95 2.55 -0.16 2.44 7.64 -0.31 -5.01 113.62 123.72 3b5h n SER 163 Ca -0.15 -3.03 -0.02 0.00 1.01 0.00 0.00 58.87 56.68 3b5h n SER 163 Cb 0.56 0.55 0.06 0.00 -1.01 0.00 0.00 64.21 64.36 3b5h n SER 163 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3b5h h GLN 164 N 0.00 0.07 -0.01 1.43 4.20 -1.99 -3.22 115.11 115.58 3b5h h GLN 164 Ca -0.35 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 3b5h h GLN 164 Cb 1.15 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 3b5h h GLN 164 CO 0.58 0.04 -0.10 0.41 -0.67 0.00 0.00 178.83 179.09 3b5h n GLY 165 N -1.34 4.92 3.37 3.46 0.00 -1.26 -3.65 105.19 110.69 3b5h n GLY 165 Ca 0.06 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 3b5h n GLY 165 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b5h s ARG 166 N -2.96 0.95 -0.21 1.61 3.52 -1.22 -1.43 118.95 119.22 3b5h s ARG 166 Ca 0.34 -0.21 -0.13 0.00 -0.13 0.00 0.00 55.73 55.60 3b5h s ARG 166 Cb 0.30 0.43 0.06 0.00 -1.56 0.00 0.00 34.95 34.19 3b5h s ARG 166 CO 0.01 -0.32 0.52 0.45 -0.81 0.00 0.00 175.30 175.14 3b5h s SER 167 N -1.79 -0.65 -0.10 -2.12 0.15 -0.17 -1.16 113.70 107.86 3b5h s SER 167 Ca -0.07 1.11 0.03 0.00 0.70 0.00 0.00 55.95 57.71 3b5h s SER 167 Cb -0.01 1.02 -0.01 0.00 -1.71 0.00 0.00 66.02 65.30 3b5h s SER 167 CO 0.00 -0.20 -0.18 -1.61 1.20 0.00 0.00 173.24 172.45 3b5h s GLU 168 N 1.23 3.03 -0.27 5.44 2.02 0.05 -0.96 118.70 129.23 3b5h s GLU 168 Ca -0.08 -0.77 -0.09 0.00 0.02 0.00 0.00 54.97 54.05 3b5h s GLU 168 Cb -0.06 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 3b5h s GLU 168 CO -0.12 0.30 0.14 -1.17 0.02 0.00 0.00 175.26 174.43 3b5h s LEU 169 N 0.10 3.81 -0.20 1.80 2.96 0.68 -1.88 118.68 125.95 3b5h s LEU 169 Ca -0.08 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 3b5h s LEU 169 Cb -0.15 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 3b5h s LEU 169 CO 0.05 -0.06 0.16 -1.00 -1.32 0.00 0.00 176.35 174.18 3b5h s HIS 170 N 1.69 3.40 -0.21 5.38 3.76 0.22 -1.33 115.29 128.20 3b5h s HIS 170 Ca 0.07 0.35 0.01 0.00 -0.15 0.00 0.00 55.06 55.34 3b5h s HIS 170 Cb -0.16 -2.20 0.05 0.00 1.11 0.00 0.00 32.58 31.38 3b5h s HIS 170 CO 0.08 0.25 -0.10 0.42 -0.85 0.00 0.00 174.74 174.53 3b5h s ILE 171 N 0.48 1.74 0.31 0.60 1.01 -0.50 -0.73 121.20 124.13 3b5h s ILE 171 Ca 0.09 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 3b5h s ILE 171 Cb -0.12 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 3b5h s ILE 171 CO -0.00 0.11 0.61 -1.61 0.00 0.00 0.00 174.94 174.05 3b5h s GLU 172 N 1.34 3.68 -0.91 2.79 2.02 -0.31 -1.46 118.70 125.85 3b5h s GLU 172 Ca -0.03 0.14 -0.08 0.00 0.02 0.00 0.00 54.97 55.03 3b5h s GLU 172 Cb -0.17 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.48 3b5h s GLU 172 CO -0.08 0.16 0.67 -1.71 0.02 0.00 0.00 175.26 174.32 3b5h n ASN 173 N -0.96 -5.45 -4.76 -0.19 5.15 -1.08 -4.83 115.26 103.13 3b5h n ASN 173 Ca -0.00 -0.84 -0.38 0.00 -0.60 0.00 0.00 54.58 52.76 3b5h n ASN 173 Cb 0.54 -2.71 0.01 0.00 -0.53 0.00 0.00 39.78 37.09 3b5h n ASN 173 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3b5h s LEU 174 N -5.33 3.99 0.31 1.20 1.43 -0.62 -4.65 118.68 115.01 3b5h s LEU 174 Ca 0.14 2.47 0.09 0.00 -1.03 0.00 0.00 54.13 55.81 3b5h s LEU 174 Cb -0.06 -4.21 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 3b5h s LEU 174 CO 0.87 -1.09 -0.11 0.54 0.23 0.00 0.00 176.35 176.78 3b5h s ASN 175 N -1.18 3.44 0.35 2.29 2.20 -1.26 -1.18 114.94 119.61 3b5h s ASN 175 Ca 0.65 -1.15 0.25 0.00 -0.94 0.00 0.00 52.86 51.67 3b5h s ASN 175 Cb -0.33 -0.29 0.60 0.00 -2.00 0.00 0.00 41.25 39.23 3b5h s ASN 175 CO 0.40 -0.17 1.70 0.24 -2.94 0.00 0.00 177.10 176.32 3b5h h MET 176 N 2.16 0.00 0.00 3.55 2.86 -1.96 -3.31 114.93 118.23 3b5h h MET 176 Ca -0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3b5h h MET 176 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 3b5h h MET 176 CO 0.67 0.00 0.00 -0.85 1.06 0.00 0.00 176.91 177.79 3b5h n GLU 177 N -2.73 0.00 0.18 1.72 0.00 -1.26 -4.61 120.64 113.94 3b5h n GLU 177 Ca 0.04 0.02 0.05 0.00 0.00 0.00 0.00 57.16 57.28 3b5h n GLU 177 Cb 0.47 -0.33 0.30 0.00 0.00 0.00 0.00 31.44 31.88 3b5h n GLU 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3b5h h ALA 178 N -2.00 0.95 0.09 -1.84 0.00 -2.03 -3.38 119.26 111.05 3b5h h ALA 178 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 3b5h h ALA 178 Cb 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.75 3b5h h ALA 178 CO 0.00 0.48 -0.84 -0.44 0.00 0.00 0.00 179.25 178.46 3b5h h ASP 179 N 0.00 0.58 -4.16 0.00 3.32 -1.83 -3.44 116.42 110.89 3b5h h ASP 179 Ca -0.00 -0.85 -0.54 0.00 0.02 0.00 0.00 57.03 55.65 3b5h h ASP 179 Cb 0.95 -0.18 0.16 0.00 0.22 0.00 0.00 39.33 40.48 3b5h h ASP 179 CO 0.05 1.38 0.43 -2.16 -1.72 0.00 0.00 179.24 177.22 3b5h s PRO 180 N -2.84 2.16 0.00 3.56 0.04 -1.26 -4.85 135.00 131.82 3b5h s PRO 180 Ca -0.12 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3b5h s PRO 180 Cb 0.03 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3b5h s PRO 180 CO 0.85 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 176.45 3b5h n GLY 181 N 0.63 0.81 3.53 0.56 0.00 -0.34 -5.00 105.19 105.38 3b5h n GLY 181 Ca 0.14 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 3b5h n GLY 181 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3b5h s GLN 182 N -1.19 2.45 0.22 1.61 -2.07 -1.26 -0.16 119.66 119.26 3b5h s GLN 182 Ca 0.00 -0.75 0.09 0.00 -1.82 0.00 0.00 55.36 52.87 3b5h s GLN 182 Cb 0.00 -2.41 -0.04 0.00 -1.09 0.00 0.00 33.01 29.47 3b5h s GLN 182 CO 0.00 0.60 -0.04 0.71 -1.32 0.00 0.00 175.29 175.24 3b5h s TYR 183 N -0.90 2.70 -0.04 9.60 1.51 0.27 -1.58 117.35 128.90 3b5h s TYR 183 Ca 0.15 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 3b5h s TYR 183 Cb -0.11 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.51 3b5h s TYR 183 CO 0.05 0.57 -0.05 0.50 -1.11 0.00 0.00 175.55 175.50 3b5h s ARG 184 N -3.26 0.88 -0.12 -0.62 3.52 0.12 -0.28 118.95 119.19 3b5h s ARG 184 Ca 0.29 -0.15 -0.02 0.00 -0.13 0.00 0.00 55.73 55.71 3b5h s ARG 184 Cb -0.08 -0.85 -0.03 0.00 -1.56 0.00 0.00 34.95 32.43 3b5h s ARG 184 CO 0.18 -0.04 -0.04 0.00 -0.81 0.00 0.00 175.30 174.59 3b5h s ASN 186 N -0.15 3.26 0.02 0.00 3.84 0.19 -2.42 114.94 119.68 3b5h s ASN 186 Ca 0.03 -0.53 0.09 0.00 0.21 0.00 0.00 52.86 52.66 3b5h s ASN 186 Cb -0.13 -1.45 -0.03 0.00 -0.55 0.00 0.00 41.25 39.09 3b5h s ASN 186 CO 0.02 0.15 -0.26 -0.83 -2.79 0.00 0.00 177.10 173.39 3b5h s GLY 187 N 0.42 1.36 -0.09 1.21 0.00 -0.09 -2.03 107.32 108.10 3b5h s GLY 187 Ca -0.16 -1.20 -0.05 0.00 0.00 0.00 0.00 44.72 43.31 3b5h s GLY 187 CO 0.07 -1.05 0.21 -1.59 0.00 0.00 0.00 173.10 170.73 3b5h s THR 188 N -0.73 -0.04 -0.22 0.90 2.01 -1.08 -1.53 115.64 114.96 3b5h s THR 188 Ca 0.11 0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 3b5h s THR 188 Cb -0.10 -0.33 0.10 0.00 0.01 0.00 0.00 72.50 72.18 3b5h s THR 188 CO 0.01 0.06 0.47 -0.55 -0.69 0.00 0.00 174.62 173.92 3b5h s SER 189 N 1.12 -0.46 0.00 3.53 0.15 -1.14 -2.24 113.70 114.66 3b5h s SER 189 Ca -0.08 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.69 3b5h s SER 189 Cb -0.10 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 3b5h s SER 189 CO -0.07 -0.23 0.00 -1.54 1.20 0.00 0.00 173.24 172.60 3b5h n SER 190 N 5.35 0.00 0.00 5.45 3.41 -1.26 -3.42 113.62 123.15 3b5h n SER 190 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3b5h n SER 190 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3b5h n SER 190 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3b5h n LYS 191 N 0.00 0.00 -1.27 4.33 3.00 -1.26 -4.85 118.16 118.11 3b5h n LYS 191 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3b5h n LYS 191 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3b5h n LYS 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3b5h n GLY 192 N -0.01 -0.44 3.25 3.14 0.00 -1.22 -4.64 105.19 105.27 3b5h n GLY 192 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 3b5h n GLY 192 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b5h s SER 193 N -4.00 -0.22 0.22 1.61 1.04 -1.26 -2.87 113.70 108.22 3b5h s SER 193 Ca 0.00 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.59 3b5h s SER 193 Cb 0.00 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 3b5h s SER 193 CO 0.00 -0.44 0.04 -0.62 0.98 0.00 0.00 173.24 173.20 3b5h s ASP 194 N -1.24 1.36 0.06 7.02 2.15 -0.58 -4.79 116.67 120.65 3b5h s ASP 194 Ca -0.13 -1.27 -0.14 0.00 0.43 0.00 0.00 52.55 51.44 3b5h s ASP 194 Cb -0.05 0.11 0.02 0.00 -0.30 0.00 0.00 42.92 42.70 3b5h s ASP 194 CO 0.04 -0.62 0.32 -1.10 -0.17 0.00 0.00 175.17 173.64 3b5h s GLN 195 N -3.95 0.87 0.13 4.34 -0.21 -1.26 -0.92 119.66 118.67 3b5h s GLN 195 Ca 0.31 -0.58 0.08 0.00 0.02 0.00 0.00 55.36 55.18 3b5h s GLN 195 Cb 0.07 0.38 -0.04 0.00 1.00 0.00 0.00 33.01 34.42 3b5h s GLN 195 CO 0.09 -0.29 -0.18 0.00 -2.12 0.00 0.00 175.29 172.78 3b5h s ALA 196 N -2.93 1.81 -0.16 6.09 0.00 -1.02 -4.89 121.76 120.66 3b5h s ALA 196 Ca -0.02 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.55 3b5h s ALA 196 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3b5h s ALA 196 CO -0.06 0.24 -0.04 0.42 0.00 0.00 0.00 175.76 176.32 3b5h s ILE 197 N -1.76 3.79 -0.14 0.00 1.01 -1.26 -2.15 121.20 120.68 3b5h s ILE 197 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 3b5h s ILE 197 Cb -0.07 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 3b5h s ILE 197 CO 0.05 0.48 -0.14 -0.63 0.00 0.00 0.00 174.94 174.71 3b5h s ILE 198 N 0.50 2.90 -0.13 2.92 1.01 0.61 -4.82 121.20 124.19 3b5h s ILE 198 Ca -0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 3b5h s ILE 198 Cb -0.14 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3b5h s ILE 198 CO 0.03 0.52 0.09 0.42 0.00 0.00 0.00 174.94 176.00 3b5h s THR 199 N 0.57 5.09 -0.15 2.92 -4.23 -0.22 0.93 115.64 120.56 3b5h s THR 199 Ca -0.08 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.50 3b5h s THR 199 Cb -0.16 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.47 3b5h s THR 199 CO 0.03 0.57 -0.19 -0.22 -0.54 0.00 0.00 174.62 174.27 3b5h s LEU 200 N -0.64 2.23 -0.17 4.79 2.96 0.77 -2.48 118.68 126.14 3b5h s LEU 200 Ca 0.12 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 3b5h s LEU 200 Cb -0.12 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3b5h s LEU 200 CO 0.02 0.07 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.93 3b5h s ARG 201 N 0.90 3.51 -0.41 1.98 0.52 -0.70 -1.20 118.95 123.55 3b5h s ARG 201 Ca -0.04 -0.59 -0.21 0.00 -0.52 0.00 0.00 55.73 54.36 3b5h s ARG 201 Cb -0.15 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.46 3b5h s ARG 201 CO -0.03 0.10 0.67 0.08 0.02 0.00 0.00 175.30 176.14 3b5h s VAL 202 N 0.71 4.81 0.00 3.52 1.01 -1.26 -1.29 120.40 127.90 3b5h s VAL 202 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3b5h s VAL 202 Cb -0.15 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3b5h s VAL 202 CO 0.02 -0.52 0.00 0.54 0.00 0.00 0.00 175.10 175.15