#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 0.74 3.77 0.00 0.00 -1.25 -4.98 105.19 103.46 3b5h n GLY 24 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3b5h n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b5h s THR 25 N -1.31 3.35 -0.14 2.61 2.01 -1.26 -4.79 115.64 116.11 3b5h s THR 25 Ca 0.75 0.45 0.02 0.00 0.31 0.00 0.00 61.69 63.22 3b5h s THR 25 Cb -0.40 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.16 3b5h s THR 25 CO 0.47 -0.56 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.94 3b5h s VAL 26 N -2.87 2.20 -0.09 3.82 1.01 -1.26 -0.60 120.40 122.60 3b5h s VAL 26 Ca 0.61 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 3b5h s VAL 26 Cb -0.17 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3b5h s VAL 26 CO 0.55 0.54 0.38 -0.36 0.00 0.00 0.00 175.10 176.21 3b5h s PHE 27 N 0.80 3.58 0.06 5.22 0.40 -0.06 -4.89 117.98 123.09 3b5h s PHE 27 Ca -0.07 0.82 0.08 0.00 -0.60 0.00 0.00 56.93 57.16 3b5h s PHE 27 Cb -0.16 -2.36 -0.03 0.00 0.51 0.00 0.00 43.02 40.98 3b5h s PHE 27 CO -0.01 0.39 -0.19 0.95 0.70 0.00 0.00 175.22 177.06 3b5h s THR 28 N -0.13 2.72 0.05 0.64 -4.23 -1.26 -0.88 115.64 112.56 3b5h s THR 28 Ca 0.22 -1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 3b5h s THR 28 Cb -0.15 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 3b5h s THR 28 CO 0.09 0.28 -0.01 0.42 -0.54 0.00 0.00 174.62 174.86 3b5h s THR 29 N -0.97 0.21 -0.02 3.99 -4.23 -0.57 -5.02 115.64 109.03 3b5h s THR 29 Ca 0.15 -1.69 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3b5h s THR 29 Cb -0.10 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.33 3b5h s THR 29 CO 0.06 -0.93 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.50 3b5h s VAL 30 N -3.76 0.21 -0.02 2.29 1.01 -1.26 -2.27 120.40 116.60 3b5h s VAL 30 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 3b5h s VAL 30 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.19 3b5h s VAL 30 CO -0.10 0.12 0.12 -1.83 0.00 0.00 0.00 175.10 173.42 3b5h s GLU 31 N 0.63 0.34 0.12 2.72 -1.05 -0.23 -4.97 118.70 116.26 3b5h s GLU 31 Ca -0.06 -0.18 -0.32 0.00 -0.15 0.00 0.00 54.97 54.26 3b5h s GLU 31 Cb -0.09 0.14 -0.11 0.00 -0.44 0.00 0.00 34.13 33.63 3b5h s GLU 31 CO -0.01 -0.07 1.81 -0.25 0.95 0.00 0.00 175.26 177.68 3b5h n ASP 32 N 2.08 3.90 -3.80 0.83 8.00 -1.26 0.40 116.55 126.70 3b5h n ASP 32 Ca -0.19 1.00 -0.30 0.00 0.71 0.00 0.00 54.79 56.02 3b5h n ASP 32 Cb 0.57 -1.52 -0.15 0.00 -0.02 0.00 0.00 41.12 39.99 3b5h n ASP 32 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3b5h s LEU 33 N 2.51 2.31 0.00 0.64 2.96 -0.54 -4.80 118.68 121.76 3b5h s LEU 33 Ca 0.82 -1.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 3b5h s LEU 33 Cb -0.52 -0.94 0.00 0.00 0.50 0.00 0.00 46.19 45.23 3b5h s LEU 33 CO 0.38 -0.36 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 3b5h n GLY 34 N 4.80 3.62 0.08 7.98 0.00 -1.26 -1.48 105.19 118.94 3b5h n GLY 34 Ca -0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 0.19 -3.68 1.61 4.64 -1.98 -3.47 113.55 110.86 3b5h h SER 35 Ca 0.00 -0.22 -0.43 0.00 -0.47 0.00 0.00 61.79 60.67 3b5h h SER 35 Cb 0.00 -0.06 0.18 0.00 -0.31 0.00 0.00 62.40 62.21 3b5h h SER 35 CO 0.00 1.18 0.18 -0.54 -0.87 0.00 0.00 176.83 176.78 3b5h s LYS 36 N -2.67 -0.55 0.01 4.77 1.02 -0.55 -4.60 119.74 117.17 3b5h s LYS 36 Ca -0.02 0.05 0.06 0.00 0.02 0.00 0.00 55.97 56.07 3b5h s LYS 36 Cb 0.08 -1.66 -0.02 0.00 -0.52 0.00 0.00 37.83 35.71 3b5h s LYS 36 CO 0.85 -3.29 -0.19 0.96 -0.92 0.00 0.00 175.35 172.76 3b5h s ILE 37 N -3.10 1.52 -0.31 2.17 -4.36 -0.72 -1.46 121.20 114.94 3b5h s ILE 37 Ca 0.69 -0.98 -0.11 0.00 -0.26 0.00 0.00 60.65 60.00 3b5h s ILE 37 Cb -0.11 -1.29 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 3b5h s ILE 37 CO 0.56 0.29 0.19 -0.22 0.24 0.00 0.00 174.94 176.01 3b5h s LEU 38 N -0.80 4.18 -0.16 0.37 2.96 0.16 -1.23 118.68 124.17 3b5h s LEU 38 Ca 0.07 -0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 53.55 3b5h s LEU 38 Cb -0.08 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3b5h s LEU 38 CO 0.00 -0.14 0.42 -0.76 -1.32 0.00 0.00 176.35 174.55 3b5h s LEU 39 N 1.71 4.22 -0.04 -0.68 1.43 0.14 -1.07 118.68 124.39 3b5h s LEU 39 Ca 0.06 0.65 0.05 0.00 -1.03 0.00 0.00 54.13 53.86 3b5h s LEU 39 Cb -0.17 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 3b5h s LEU 39 CO 0.09 -0.02 -0.19 -0.89 0.23 0.00 0.00 176.35 175.57 3b5h s THR 40 N 0.90 1.60 -0.05 5.49 2.01 -0.96 -0.32 115.64 124.30 3b5h s THR 40 Ca 0.22 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 3b5h s THR 40 Cb -0.15 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.03 3b5h s THR 40 CO 0.08 0.45 0.02 0.00 -0.69 0.00 0.00 174.62 174.49 3b5h s SER 42 N 1.93 -0.15 -0.01 0.00 1.04 -0.06 -0.44 113.70 116.02 3b5h s SER 42 Ca 0.03 0.35 -0.25 0.00 0.48 0.00 0.00 55.95 56.56 3b5h s SER 42 Cb -0.12 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 3b5h s SER 42 CO -0.04 -0.15 0.77 -0.22 0.98 0.00 0.00 173.24 174.58 3b5h s LEU 43 N 1.12 4.38 0.00 2.42 0.20 -0.09 -0.88 118.68 125.84 3b5h s LEU 43 Ca -0.09 1.37 0.00 0.00 0.69 0.00 0.00 54.13 56.10 3b5h s LEU 43 Cb -0.11 -3.21 0.00 0.00 -0.43 0.00 0.00 46.19 42.44 3b5h s LEU 43 CO -0.06 -0.08 0.00 -3.20 -0.29 0.00 0.00 176.35 172.72 3b5h n ASN 44 N 3.38 0.00 -4.67 3.68 4.05 0.23 -4.91 115.26 117.03 3b5h n ASN 44 Ca -0.01 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.60 3b5h n ASN 44 Cb 0.51 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.49 3b5h n ASN 44 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 3b5h s ASP 45 N -1.26 6.82 -0.28 1.20 -4.77 -1.26 -4.94 116.67 112.18 3b5h s ASP 45 Ca 0.00 2.02 -0.18 0.00 -3.30 0.00 0.00 52.55 51.09 3b5h s ASP 45 Cb 0.00 -2.54 0.08 0.00 -1.09 0.00 0.00 42.92 39.37 3b5h s ASP 45 CO 0.00 -0.80 0.71 -0.94 0.70 0.00 0.00 175.17 174.83 3b5h s SER 46 N 2.42 -0.88 -0.02 2.11 1.04 -1.26 -3.86 113.70 113.25 3b5h s SER 46 Ca 0.64 1.48 0.03 0.00 0.48 0.00 0.00 55.95 58.58 3b5h s SER 46 Cb -0.29 1.40 0.05 0.00 0.10 0.00 0.00 66.02 67.28 3b5h s SER 46 CO 0.24 -0.24 0.85 0.00 0.98 0.00 0.00 173.24 175.07 3b5h n ALA 47 N 3.86 1.70 -2.65 5.32 0.00 -1.26 -4.98 120.51 122.50 3b5h n ALA 47 Ca -0.18 -1.09 -0.40 0.00 0.00 0.00 0.00 53.44 51.76 3b5h n ALA 47 Cb 0.58 -0.15 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 3b5h n ALA 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3b5h s THR 48 N -0.80 5.04 0.18 0.00 2.01 -1.26 -5.04 115.64 115.78 3b5h s THR 48 Ca 0.05 1.08 -0.33 0.00 0.31 0.00 0.00 61.69 62.80 3b5h s THR 48 Cb 0.05 -3.90 -0.14 0.00 0.01 0.00 0.00 72.50 68.51 3b5h s THR 48 CO 0.00 0.11 1.44 1.21 -0.69 0.00 0.00 174.62 176.70 3b5h n GLU 49 N 5.12 1.86 -3.34 4.92 2.13 -1.26 -4.97 120.64 125.11 3b5h n GLU 49 Ca -0.02 0.67 -0.38 0.00 0.66 0.00 0.00 57.16 58.09 3b5h n GLU 49 Cb 0.50 -2.35 -0.06 0.00 0.27 0.00 0.00 31.44 29.80 3b5h n GLU 49 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3b5h s VAL 50 N 0.40 4.83 -0.01 6.31 1.01 -1.26 -4.62 120.40 127.04 3b5h s VAL 50 Ca 0.75 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.81 3b5h s VAL 50 Cb -0.73 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 3b5h s VAL 50 CO 0.45 0.49 0.04 1.07 0.00 0.00 0.00 175.10 177.16 3b5h n THR 51 N 1.55 0.08 -4.01 3.92 5.66 0.10 -4.14 114.28 117.44 3b5h n THR 51 Ca -0.10 -0.09 0.03 0.00 -3.05 0.00 0.00 64.05 60.84 3b5h n THR 51 Cb 0.51 -0.14 0.01 0.00 -1.55 0.00 0.00 70.33 69.16 3b5h n THR 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3b5h n GLY 52 N 2.54 0.20 3.06 1.09 0.00 -1.16 -0.78 105.19 110.14 3b5h n GLY 52 Ca -0.02 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.04 0.63 -0.01 1.61 3.76 -0.95 -1.30 115.29 116.99 3b5h s HIS 53 Ca 0.30 -0.50 -0.00 0.00 -0.15 0.00 0.00 55.06 54.70 3b5h s HIS 53 Cb -0.01 -0.38 0.01 0.00 1.11 0.00 0.00 32.58 33.31 3b5h s HIS 53 CO -0.01 -0.09 0.02 0.50 -0.85 0.00 0.00 174.74 174.30 3b5h s ARG 54 N -1.57 -0.01 -0.05 1.40 3.52 -0.21 -1.42 118.95 120.61 3b5h s ARG 54 Ca -0.10 0.08 0.06 0.00 -0.13 0.00 0.00 55.73 55.64 3b5h s ARG 54 Cb -0.10 -0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.19 3b5h s ARG 54 CO 0.00 -0.06 -0.24 -1.58 -0.81 0.00 0.00 175.30 172.61 3b5h s TRP 55 N 0.40 2.28 0.33 5.12 0.52 -0.16 -0.47 118.94 126.96 3b5h s TRP 55 Ca -0.03 -0.62 0.05 0.00 0.02 0.00 0.00 56.10 55.51 3b5h s TRP 55 Cb -0.05 -1.49 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 3b5h s TRP 55 CO -0.01 -0.17 0.32 -0.48 0.02 0.00 0.00 176.95 176.63 3b5h s LEU 56 N -0.23 1.54 0.00 2.99 2.34 -0.46 -0.46 118.68 124.40 3b5h s LEU 56 Ca -0.01 -1.68 0.09 0.00 0.06 0.00 0.00 54.13 52.60 3b5h s LEU 56 Cb -0.12 0.78 0.15 0.00 -0.56 0.00 0.00 46.19 46.44 3b5h s LEU 56 CO 0.02 -1.12 0.99 0.29 -1.06 0.00 0.00 176.35 175.48 3b5h n LYS 57 N -0.59 0.00 0.00 1.48 5.02 -1.26 -1.42 118.16 121.39 3b5h n LYS 57 Ca 0.06 -1.22 0.00 0.00 -2.02 0.00 0.00 58.31 55.12 3b5h n LYS 57 Cb 0.62 0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.75 3b5h n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b5h n GLY 58 N 0.18 2.70 3.95 0.72 0.00 -1.26 -4.99 105.19 106.49 3b5h n GLY 58 Ca -0.08 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 1.70 -0.33 -0.02 0.00 -1.26 -5.08 107.32 102.33 3b5h s GLY 59 Ca 0.00 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 42.88 3b5h s GLY 59 CO 0.00 -1.45 1.14 0.14 0.00 0.00 0.00 173.10 172.92 3b5h s VAL 60 N -2.23 4.39 0.09 1.40 1.01 -1.26 -4.51 120.40 119.29 3b5h s VAL 60 Ca 0.45 1.59 -0.03 0.00 0.00 0.00 0.00 61.98 63.99 3b5h s VAL 60 Cb -0.08 -4.37 -0.26 0.00 0.00 0.00 0.00 36.38 31.67 3b5h s VAL 60 CO 0.30 -0.53 1.19 -0.37 0.00 0.00 0.00 175.10 175.69 3b5h h VAL 61 N 5.83 1.51 -1.71 2.92 -1.51 -1.10 -3.48 116.25 118.70 3b5h h VAL 61 Ca -0.22 -2.99 0.10 0.00 -1.23 0.00 0.00 66.70 62.36 3b5h h VAL 61 Cb 1.07 2.84 -0.21 0.00 -2.13 0.00 0.00 31.29 32.86 3b5h h VAL 61 CO 1.04 0.87 0.55 -1.48 -1.23 0.00 0.00 177.57 177.33 3b5h s LEU 62 N -7.20 -0.35 -0.06 4.19 2.34 -1.07 -5.01 118.68 111.51 3b5h s LEU 62 Ca -0.04 0.29 -0.03 0.00 0.06 0.00 0.00 54.13 54.42 3b5h s LEU 62 Cb 0.08 1.87 0.04 0.00 -0.56 0.00 0.00 46.19 47.61 3b5h s LEU 62 CO 0.87 -0.40 0.14 -0.75 -1.06 0.00 0.00 176.35 175.16 3b5h s LYS 63 N -1.62 0.09 -0.43 1.48 2.20 -1.26 -0.99 119.74 119.21 3b5h s LYS 63 Ca 0.00 0.35 0.08 0.00 -0.36 0.00 0.00 55.97 56.05 3b5h s LYS 63 Cb -0.01 -0.16 0.28 0.00 -1.51 0.00 0.00 37.83 36.43 3b5h s LYS 63 CO -0.01 -0.15 0.63 -0.85 -0.36 0.00 0.00 175.35 174.61 3b5h n GLU 64 N 4.11 1.20 0.00 4.03 0.28 -0.51 -5.00 120.64 124.75 3b5h n GLU 64 Ca -0.25 -3.58 0.00 0.00 -0.16 0.00 0.00 57.16 53.17 3b5h n GLU 64 Cb 0.52 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.84 3b5h n GLU 64 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3b5h n ASP 65 N 0.95 -0.17 0.00 -1.84 -0.08 -1.26 -2.23 116.55 111.92 3b5h n ASP 65 Ca 0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 3b5h n ASP 65 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 3b5h n ASP 65 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3b5h n ALA 66 N -2.93 0.00 -1.66 -1.67 0.00 0.04 -4.73 120.51 109.56 3b5h n ALA 66 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3b5h n ALA 66 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3b5h n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3b5h s LEU 67 N 0.00 3.44 1.16 0.00 1.43 -1.25 -4.60 118.68 118.85 3b5h s LEU 67 Ca 0.00 1.72 -0.15 0.00 -1.03 0.00 0.00 54.13 54.67 3b5h s LEU 67 Cb 0.00 -3.43 0.21 0.00 0.03 0.00 0.00 46.19 43.00 3b5h s LEU 67 CO 0.00 -2.01 0.57 -0.81 0.23 0.00 0.00 176.35 174.33 3b5h n PRO 68 N 8.74 -2.11 0.00 1.29 -0.04 -1.26 -3.66 135.00 137.96 3b5h n PRO 68 Ca 0.29 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 3b5h n PRO 68 Cb 0.46 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3b5h n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3b5h n GLY 69 N 1.47 3.78 0.07 0.55 0.00 -1.26 -4.98 105.19 104.82 3b5h n GLY 69 Ca 0.02 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.92 3b5h n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3b5h n GLN 70 N -0.51 0.18 -4.26 1.61 1.13 -1.26 -4.79 117.38 109.48 3b5h n GLN 70 Ca 0.00 0.13 -0.22 0.00 -1.94 0.00 0.00 57.00 54.97 3b5h n GLN 70 Cb 0.00 -1.69 -0.12 0.00 0.11 0.00 0.00 30.24 28.53 3b5h n GLN 70 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3b5h s LYS 71 N -3.08 1.03 0.04 -1.09 -2.85 -1.26 -0.91 119.74 111.62 3b5h s LYS 71 Ca 0.11 -1.07 0.02 0.00 -1.00 0.00 0.00 55.97 54.03 3b5h s LYS 71 Cb 0.15 -1.19 -0.02 0.00 -2.06 0.00 0.00 37.83 34.70 3b5h s LYS 71 CO 0.60 0.28 -0.08 -0.08 0.10 0.00 0.00 175.35 176.16 3b5h s THR 72 N -1.18 0.58 0.05 3.79 -1.32 0.41 -5.00 115.64 112.98 3b5h s THR 72 Ca 0.03 -1.10 0.03 0.00 -1.21 0.00 0.00 61.69 59.45 3b5h s THR 72 Cb -0.10 -0.64 -0.02 0.00 -1.51 0.00 0.00 72.50 70.22 3b5h s THR 72 CO 0.03 -0.37 -0.10 -1.61 -2.21 0.00 0.00 174.62 170.37 3b5h s GLU 73 N -1.60 0.63 -0.04 7.08 2.02 -1.26 -1.09 118.70 124.43 3b5h s GLU 73 Ca -0.09 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.10 3b5h s GLU 73 Cb -0.10 -0.49 0.02 0.00 0.10 0.00 0.00 34.13 33.67 3b5h s GLU 73 CO 0.01 0.10 0.10 0.12 0.02 0.00 0.00 175.26 175.61 3b5h s PHE 74 N -1.23 -0.10 -0.36 1.61 2.19 0.57 -5.00 117.98 115.65 3b5h s PHE 74 Ca -0.06 0.31 -0.12 0.00 0.33 0.00 0.00 56.93 57.39 3b5h s PHE 74 Cb -0.09 -0.05 0.01 0.00 -1.31 0.00 0.00 43.02 41.58 3b5h s PHE 74 CO 0.01 -0.10 0.22 0.15 1.83 0.00 0.00 175.22 177.34 3b5h s LYS 75 N 0.60 3.09 -0.08 10.12 1.02 -1.26 -0.68 119.74 132.54 3b5h s LYS 75 Ca -0.05 -0.91 -0.15 0.00 0.02 0.00 0.00 55.97 54.89 3b5h s LYS 75 Cb -0.06 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.43 3b5h s LYS 75 CO -0.02 -0.60 0.37 0.08 -0.92 0.00 0.00 175.35 174.26 3b5h s VAL 76 N 1.63 5.18 0.69 3.17 1.01 -0.36 -4.94 120.40 126.77 3b5h s VAL 76 Ca 0.04 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 62.63 3b5h s VAL 76 Cb -0.18 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3b5h s VAL 76 CO 0.08 0.46 1.08 -1.81 0.00 0.00 0.00 175.10 174.91 3b5h s ASP 77 N -0.20 5.16 0.41 3.32 1.11 -1.26 -1.75 116.67 123.46 3b5h s ASP 77 Ca 0.22 1.81 0.08 0.00 0.18 0.00 0.00 52.55 54.84 3b5h s ASP 77 Cb -0.15 -2.52 0.86 0.00 1.07 0.00 0.00 42.92 42.17 3b5h s ASP 77 CO 0.09 -1.59 2.03 0.77 1.18 0.00 0.00 175.17 177.64 3b5h h SER 78 N -0.39 0.40 1.45 0.27 4.64 -1.95 -1.68 113.55 116.28 3b5h h SER 78 Ca -0.45 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3b5h h SER 78 Cb 1.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3b5h h SER 78 CO 0.55 0.34 0.00 0.47 -0.87 0.00 0.00 176.83 177.32 3b5h n ASP 79 N -4.43 0.77 -0.97 4.97 10.43 -1.26 -3.37 116.55 122.68 3b5h n ASP 79 Ca 0.02 0.57 0.10 0.00 2.57 0.00 0.00 54.79 58.05 3b5h n ASP 79 Cb 0.11 -0.78 0.17 0.00 1.84 0.00 0.00 41.12 42.47 3b5h n ASP 79 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3b5h n ASP 80 N -2.22 3.14 -4.08 -2.24 8.00 -0.67 -4.85 116.55 113.63 3b5h n ASP 80 Ca 0.06 -1.91 -0.36 0.00 0.71 0.00 0.00 54.79 53.28 3b5h n ASP 80 Cb 0.42 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 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 1.22 1.55 -3.65 -1.24 6.02 -0.96 -4.69 117.38 115.63 3b5h n GLN 81 Ca 0.16 -2.15 -0.02 0.00 -0.01 0.00 0.00 57.00 54.98 3b5h n GLN 81 Cb 0.53 -3.30 -0.07 0.00 1.02 0.00 0.00 30.24 28.42 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 7.87 -0.06 0.00 1.08 1.48 -1.26 -3.41 118.94 124.64 3b5h s TRP 82 Ca 0.63 0.14 0.00 0.00 -1.06 0.00 0.00 56.10 55.81 3b5h s TRP 82 Cb 0.07 0.43 0.00 0.00 -1.16 0.00 0.00 33.47 32.82 3b5h s TRP 82 CO 0.13 -0.03 0.00 0.41 -4.06 0.00 0.00 176.95 173.40 3b5h n GLY 83 N 1.75 0.29 3.76 3.67 0.00 -0.81 -4.88 105.19 108.97 3b5h n GLY 83 Ca -0.11 -2.30 -0.36 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.48 4.12 0.10 1.61 2.12 -1.26 -0.24 118.70 124.67 3b5h s GLU 84 Ca 0.00 0.08 0.08 0.00 0.36 0.00 0.00 54.97 55.49 3b5h s GLU 84 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 3b5h s GLU 84 CO 0.00 0.35 -0.14 0.71 -0.54 0.00 0.00 175.26 175.64 3b5h s TYR 85 N 0.12 2.64 -0.07 5.30 1.51 0.36 -4.55 117.35 122.65 3b5h s TYR 85 Ca 0.16 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 3b5h s TYR 85 Cb -0.13 -1.40 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 3b5h s TYR 85 CO 0.04 0.40 -0.10 -1.12 -1.11 0.00 0.00 175.55 173.66 3b5h s SER 86 N -2.12 1.75 -0.10 2.29 0.01 -0.51 -0.53 113.70 114.49 3b5h s SER 86 Ca 0.19 -0.27 -0.11 0.00 1.31 0.00 0.00 55.95 57.07 3b5h s SER 86 Cb -0.11 -0.77 -0.05 0.00 0.21 0.00 0.00 66.02 65.30 3b5h s SER 86 CO 0.11 -0.02 0.26 0.00 0.41 0.00 0.00 173.24 174.01 3b5h s VAL 88 N -0.52 0.92 0.06 0.00 0.11 0.38 -1.44 120.40 119.91 3b5h s VAL 88 Ca 0.17 -0.32 -0.25 0.00 -2.93 0.00 0.00 61.98 58.66 3b5h s VAL 88 Cb -0.14 -0.90 -0.06 0.00 -1.53 0.00 0.00 36.38 33.76 3b5h s VAL 88 CO 0.06 0.32 0.76 -0.36 -3.33 0.00 0.00 175.10 172.55 3b5h s PHE 89 N 1.03 3.76 -0.11 1.54 0.40 0.27 -1.04 117.98 123.82 3b5h s PHE 89 Ca -0.08 1.48 -0.03 0.00 -0.60 0.00 0.00 56.93 57.70 3b5h s PHE 89 Cb -0.15 -2.80 -0.03 0.00 0.51 0.00 0.00 43.02 40.55 3b5h s PHE 89 CO -0.00 0.31 -0.00 -0.51 0.70 0.00 0.00 175.22 175.72 3b5h s LEU 90 N -0.21 3.52 0.29 -0.37 1.43 -0.42 -3.51 118.68 119.40 3b5h s LEU 90 Ca 0.38 0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 53.26 3b5h s LEU 90 Cb -0.21 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 3b5h s LEU 90 CO 0.23 0.30 1.00 -2.16 0.23 0.00 0.00 176.35 175.95 3b5h s PRO 91 N -0.42 4.66 0.62 1.29 0.04 -1.26 0.03 135.00 139.96 3b5h s PRO 91 Ca 0.08 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 3b5h s PRO 91 Cb -0.12 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 3b5h s PRO 91 CO 0.02 0.31 1.06 0.39 0.04 0.00 0.00 177.00 178.83 3b5h n GLU 92 N 1.03 0.96 -1.97 4.56 1.02 -1.23 -2.09 120.64 122.92 3b5h n GLU 92 Ca -0.00 0.37 -0.38 0.00 -0.02 0.00 0.00 57.16 57.14 3b5h n GLU 92 Cb 0.47 -2.28 0.04 0.00 -0.02 0.00 0.00 31.44 29.65 3b5h n GLU 92 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3b5h n PRO 93 N -1.30 2.86 0.29 3.49 -0.04 -1.26 -5.03 135.00 134.01 3b5h n PRO 93 Ca 0.14 -3.66 0.18 0.00 -0.04 0.00 0.00 63.50 60.13 3b5h n PRO 93 Cb 0.48 -2.27 0.84 0.00 -0.04 0.00 0.00 33.50 32.51 3b5h n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b5h h MET 94 N 2.88 0.00 0.00 0.54 -0.00 -1.64 -3.44 114.93 113.27 3b5h h MET 94 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.23 3b5h h MET 94 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.81 3b5h h MET 94 CO 1.35 0.02 0.00 0.41 -0.00 0.00 0.00 176.91 178.69 3b5h n GLY 95 N -0.36 1.04 3.17 -3.00 0.00 -1.26 -4.65 105.19 100.14 3b5h n GLY 95 Ca -0.01 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 3b5h n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3b5h s THR 96 N 0.00 0.81 -0.07 2.61 -1.32 -1.26 -0.56 115.64 115.85 3b5h s THR 96 Ca 0.00 -1.81 -0.31 0.00 -1.21 0.00 0.00 61.69 58.36 3b5h s THR 96 Cb 0.00 -1.54 0.07 0.00 -1.51 0.00 0.00 72.50 69.52 3b5h s THR 96 CO 0.00 -0.74 0.69 0.00 -2.21 0.00 0.00 174.62 172.36 3b5h s ALA 97 N -3.10 -1.77 -0.01 11.08 0.00 -0.52 -4.78 121.76 122.65 3b5h s ALA 97 Ca 0.09 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.43 3b5h s ALA 97 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3b5h s ALA 97 CO -0.02 -0.37 -0.00 -0.80 0.00 0.00 0.00 175.76 174.57 3b5h s ASN 98 N -1.09 5.11 -0.16 0.00 0.01 -1.26 -1.73 114.94 115.82 3b5h s ASN 98 Ca -0.10 0.01 -0.01 0.00 -0.71 0.00 0.00 52.86 52.05 3b5h s ASN 98 Cb -0.00 -1.35 0.04 0.00 0.41 0.00 0.00 41.25 40.35 3b5h s ASN 98 CO 0.09 0.29 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.31 3b5h s ILE 99 N -1.05 0.98 -0.23 0.60 1.01 0.32 -4.97 121.20 117.86 3b5h s ILE 99 Ca 0.18 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 60.02 3b5h s ILE 99 Cb -0.11 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3b5h s ILE 99 CO 0.09 0.08 0.74 -1.10 0.00 0.00 0.00 174.94 174.75 3b5h s GLN 100 N 1.68 4.19 0.07 2.79 -1.52 -1.26 -0.48 119.66 125.13 3b5h s GLN 100 Ca 0.01 0.78 0.00 0.00 -1.95 0.00 0.00 55.36 54.20 3b5h s GLN 100 Cb -0.15 -3.62 -0.04 0.00 -0.22 0.00 0.00 33.01 28.97 3b5h s GLN 100 CO -0.07 -0.41 0.22 -0.51 -0.25 0.00 0.00 175.29 174.27 3b5h s LEU 101 N 2.46 4.36 -0.06 2.90 1.43 0.66 -4.98 118.68 125.45 3b5h s LEU 101 Ca 0.32 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 3b5h s LEU 101 Cb -0.16 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.12 3b5h s LEU 101 CO 0.09 0.15 -0.07 -1.00 0.23 0.00 0.00 176.35 175.75 3b5h s HIS 102 N -1.55 1.04 0.48 0.29 3.76 -1.26 -1.92 115.29 116.13 3b5h s HIS 102 Ca 0.35 -0.35 -0.08 0.00 -0.15 0.00 0.00 55.06 54.83 3b5h s HIS 102 Cb -0.13 -0.85 0.11 0.00 1.11 0.00 0.00 32.58 32.83 3b5h s HIS 102 CO 0.28 -0.24 0.52 0.41 -0.85 0.00 0.00 174.74 174.86 3b5h n GLY 103 N 4.04 -1.96 3.78 -2.22 0.00 -1.22 -4.85 105.19 102.76 3b5h n GLY 103 Ca -0.23 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3b5h n GLY 103 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3b5h s PRO 104 N -4.16 3.33 0.66 1.61 0.02 -1.26 -4.79 135.00 130.41 3b5h s PRO 104 Ca 0.32 1.53 -0.15 0.00 0.02 0.00 0.00 61.00 62.72 3b5h s PRO 104 Cb -0.02 -2.01 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 3b5h s PRO 104 CO 0.23 -0.85 1.11 -1.25 -0.33 0.00 0.00 177.00 175.91 3b5h s PRO 105 N -3.43 2.80 -0.19 5.54 0.04 -1.26 -4.99 135.00 133.51 3b5h s PRO 105 Ca 0.71 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 3b5h s PRO 105 Cb -0.22 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3b5h s PRO 105 CO 0.28 -1.25 -0.13 1.03 0.04 0.00 0.00 177.00 176.98 3b5h s ARG 106 N -4.09 3.20 -0.26 4.56 0.52 -1.26 -4.28 118.95 117.35 3b5h s ARG 106 Ca 0.67 -0.73 -0.07 0.00 -0.52 0.00 0.00 55.73 55.08 3b5h s ARG 106 Cb -0.21 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 3b5h s ARG 106 CO 0.41 -0.14 0.08 0.08 0.02 0.00 0.00 175.30 175.75 3b5h s VAL 107 N 1.23 4.23 0.06 3.52 1.01 -1.26 -4.55 120.40 124.64 3b5h s VAL 107 Ca 0.03 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.75 3b5h s VAL 107 Cb -0.14 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3b5h s VAL 107 CO -0.06 0.26 -0.16 -0.54 0.00 0.00 0.00 175.10 174.59 3b5h s LYS 108 N 1.59 2.05 0.20 2.72 1.02 -0.99 -4.36 119.74 121.96 3b5h s LYS 108 Ca 0.05 -1.01 -0.28 0.00 0.02 0.00 0.00 55.97 54.75 3b5h s LYS 108 Cb -0.16 -2.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.86 3b5h s LYS 108 CO 0.03 0.53 0.88 0.00 -0.92 0.00 0.00 175.35 175.87 3b5h s ALA 109 N -1.00 3.37 0.12 5.17 0.00 -1.26 -1.39 121.76 126.77 3b5h s ALA 109 Ca 0.16 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 3b5h s ALA 109 Cb -0.11 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 19.76 3b5h s ALA 109 CO 0.07 0.22 1.28 -0.39 0.00 0.00 0.00 175.76 176.94 3b5h h VAL 110 N 3.31 1.49 -3.42 0.00 -1.51 -1.83 -3.40 116.25 110.89 3b5h h VAL 110 Ca -0.45 -2.76 -0.57 0.00 -1.23 0.00 0.00 66.70 61.68 3b5h h VAL 110 Cb 1.20 2.63 -0.39 0.00 -2.13 0.00 0.00 31.29 32.60 3b5h h VAL 110 CO 0.68 0.81 -0.77 -0.54 -1.23 0.00 0.00 177.57 176.52 3b5h s LYS 111 N -3.02 1.09 0.00 5.19 1.02 -1.26 -5.01 119.74 117.75 3b5h s LYS 111 Ca -0.04 -0.82 0.28 0.00 0.02 0.00 0.00 55.97 55.41 3b5h s LYS 111 Cb 0.09 -2.33 1.04 0.00 -0.52 0.00 0.00 37.83 36.11 3b5h s LYS 111 CO 0.85 -0.69 1.76 0.45 -0.92 0.00 0.00 175.35 176.80 3b5h n SER 112 N 4.83 0.44 -3.69 2.83 2.88 -1.26 -4.79 113.62 114.86 3b5h n SER 112 Ca -0.09 -0.35 -0.11 0.00 -1.33 0.00 0.00 58.87 56.99 3b5h n SER 112 Cb 0.45 -0.07 -0.12 0.00 -0.75 0.00 0.00 64.21 63.73 3b5h n SER 112 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3b5h s SER 113 N -2.67 -0.27 0.23 -3.46 0.15 -1.26 -2.63 113.70 103.78 3b5h s SER 113 Ca 0.22 0.77 0.11 0.00 0.70 0.00 0.00 55.95 57.75 3b5h s SER 113 Cb 0.19 0.76 -0.05 0.00 -1.71 0.00 0.00 66.02 65.21 3b5h s SER 113 CO 0.53 -0.20 -0.21 -1.61 1.20 0.00 0.00 173.24 172.95 3b5h s GLU 114 N 1.72 1.55 -0.27 5.44 0.41 -0.51 -5.00 118.70 122.04 3b5h s GLU 114 Ca -0.07 -1.62 0.22 0.00 -0.41 0.00 0.00 54.97 53.09 3b5h s GLU 114 Cb -0.10 -1.73 0.50 0.00 -1.78 0.00 0.00 34.13 31.02 3b5h s GLU 114 CO -0.11 0.35 1.12 0.72 -0.49 0.00 0.00 175.26 176.85 3b5h n HIS 115 N -0.12 0.98 -2.08 1.61 8.25 -1.26 -2.17 115.22 120.43 3b5h n HIS 115 Ca -0.09 -2.18 -0.35 0.00 -0.26 0.00 0.00 57.72 54.83 3b5h n HIS 115 Cb 0.58 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.61 3b5h n HIS 115 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3b5h s ILE 116 N -3.42 2.88 0.34 1.59 1.01 -1.20 -4.89 121.20 117.51 3b5h s ILE 116 Ca 0.26 0.53 0.05 0.00 0.00 0.00 0.00 60.65 61.49 3b5h s ILE 116 Cb 0.35 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 3b5h s ILE 116 CO -0.04 -0.13 0.49 0.54 0.00 0.00 0.00 174.94 175.80 3b5h s ASN 117 N -1.74 6.02 0.45 3.58 6.03 -1.26 -3.78 114.94 124.24 3b5h s ASN 117 Ca 0.75 -0.02 -0.21 0.00 -1.03 0.00 0.00 52.86 52.35 3b5h s ASN 117 Cb -0.27 -1.44 -0.13 0.00 -3.03 0.00 0.00 41.25 36.38 3b5h s ASN 117 CO 0.31 -0.42 0.33 1.21 -2.03 0.00 0.00 177.10 176.51 3b5h n GLU 118 N -1.69 0.33 -0.80 3.55 2.13 -1.26 -3.03 120.64 119.86 3b5h n GLU 118 Ca -0.02 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3b5h n GLU 118 Cb 0.58 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.95 3b5h n GLU 118 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3b5h n GLY 119 N 2.03 1.04 0.00 8.31 0.00 -0.58 -4.81 105.19 111.18 3b5h n GLY 119 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 2.95 -4.04 1.61 4.07 -1.17 -4.30 120.64 117.76 3b5h n GLU 120 Ca 0.00 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.85 3b5h n GLU 120 Cb 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.21 3b5h n GLU 120 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 3b5h s THR 121 N 1.70 0.90 0.02 6.31 2.01 -1.26 -0.59 115.64 124.74 3b5h s THR 121 Ca 0.00 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 3b5h s THR 121 Cb 0.00 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 3b5h s THR 121 CO 0.00 0.34 1.10 0.00 -0.69 0.00 0.00 174.62 175.36 3b5h s ALA 122 N 1.47 3.30 -0.59 7.40 0.00 0.07 -4.91 121.76 128.49 3b5h s ALA 122 Ca -0.00 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 3b5h s ALA 122 Cb -0.13 -3.40 0.15 0.00 0.00 0.00 0.00 23.12 19.74 3b5h s ALA 122 CO -0.05 -0.37 0.42 1.41 0.00 0.00 0.00 175.76 177.17 3b5h s MET 123 N 1.14 2.54 -0.23 0.00 0.00 -1.26 -1.30 119.30 120.19 3b5h s MET 123 Ca 0.55 -2.34 -0.19 0.00 0.00 0.00 0.00 55.69 53.71 3b5h s MET 123 Cb -0.25 -3.78 -0.03 0.00 0.00 0.00 0.00 34.83 30.77 3b5h s MET 123 CO 0.28 -1.17 0.56 -0.51 0.00 0.00 0.00 175.02 174.18 3b5h s LEU 124 N 0.28 4.10 -0.05 4.11 1.43 0.97 -4.93 118.68 124.59 3b5h s LEU 124 Ca 0.15 0.65 0.06 0.00 -1.03 0.00 0.00 54.13 53.96 3b5h s LEU 124 Cb -0.20 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 3b5h s LEU 124 CO -0.04 -0.27 -0.22 -0.69 0.23 0.00 0.00 176.35 175.36 3b5h s VAL 125 N 2.09 1.83 0.18 -1.59 1.01 -1.26 0.48 120.40 123.15 3b5h s VAL 125 Ca 0.24 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.36 3b5h s VAL 125 Cb -0.16 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3b5h s VAL 125 CO 0.09 0.51 -0.19 0.00 0.00 0.00 0.00 175.10 175.52 3b5h n LYS 127 N 0.12 0.69 -3.64 0.00 2.85 -0.48 -2.24 118.16 115.46 3b5h n LYS 127 Ca -0.12 -2.61 -0.05 0.00 -1.05 0.00 0.00 58.31 54.48 3b5h n LYS 127 Cb 0.58 2.55 -0.07 0.00 -0.65 0.00 0.00 35.03 37.44 3b5h n LYS 127 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3b5h s SER 128 N -3.04 -0.32 -0.12 -5.58 1.04 -1.14 -2.34 113.70 102.20 3b5h s SER 128 Ca 0.27 0.59 0.17 0.00 0.48 0.00 0.00 55.95 57.46 3b5h s SER 128 Cb -0.01 0.72 0.70 0.00 0.10 0.00 0.00 66.02 67.53 3b5h s SER 128 CO 0.19 -0.10 1.60 -0.62 0.98 0.00 0.00 173.24 175.29 3b5h n GLU 129 N 2.34 3.70 -2.87 4.02 1.02 -1.26 -4.84 120.64 122.76 3b5h n GLU 129 Ca -0.13 -2.74 -0.40 0.00 -0.02 0.00 0.00 57.16 53.87 3b5h n GLU 129 Cb 0.56 -1.90 -0.06 0.00 -0.02 0.00 0.00 31.44 30.02 3b5h n GLU 129 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3b5h s SER 130 N -0.85 7.51 -0.12 1.62 1.04 -1.26 -5.02 113.70 116.61 3b5h s SER 130 Ca 0.49 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.71 3b5h s SER 130 Cb 0.32 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.87 3b5h s SER 130 CO 0.23 0.18 -0.13 -0.69 0.98 0.00 0.00 173.24 173.80 3b5h s VAL 131 N -1.10 3.06 0.49 5.02 1.01 -1.26 -2.77 120.40 124.85 3b5h s VAL 131 Ca 0.38 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 3b5h s VAL 131 Cb -0.24 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 3b5h s VAL 131 CO 0.29 0.53 1.33 -2.16 0.00 0.00 0.00 175.10 175.09 3b5h s PRO 132 N 0.24 3.48 0.46 2.72 0.04 -1.26 -4.66 135.00 136.02 3b5h s PRO 132 Ca -0.09 2.17 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 3b5h s PRO 132 Cb -0.15 -2.43 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 3b5h s PRO 132 CO 0.05 -0.90 1.35 -1.25 0.04 0.00 0.00 177.00 176.29 3b5h s PRO 133 N -2.69 3.64 -0.19 0.56 0.04 -1.11 -4.86 135.00 130.38 3b5h s PRO 133 Ca 0.66 2.23 -0.29 0.00 0.04 0.00 0.00 61.00 63.63 3b5h s PRO 133 Cb -0.38 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 3b5h s PRO 133 CO 0.47 -0.79 1.49 0.08 0.04 0.00 0.00 177.00 178.30 3b5h s VAL 134 N -1.28 3.88 -0.17 -0.36 1.01 -1.25 -4.89 120.40 117.34 3b5h s VAL 134 Ca 0.63 1.02 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 3b5h s VAL 134 Cb -0.40 -3.80 -0.22 0.00 0.00 0.00 0.00 36.38 31.96 3b5h s VAL 134 CO 0.50 -0.25 0.28 0.41 0.00 0.00 0.00 175.10 176.04 3b5h n THR 135 N 5.99 1.65 -3.97 3.92 -1.04 -1.17 -4.27 114.28 115.39 3b5h n THR 135 Ca 0.17 -0.31 -0.36 0.00 -2.04 0.00 0.00 64.05 61.51 3b5h n THR 135 Cb 0.45 -1.91 -0.08 0.00 -1.82 0.00 0.00 70.33 66.97 3b5h n THR 135 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3b5h s ASP 136 N -6.95 5.97 -0.04 8.00 1.01 -1.20 -4.92 116.67 118.53 3b5h s ASP 136 Ca -0.26 0.27 0.01 0.00 0.71 0.00 0.00 52.55 53.28 3b5h s ASP 136 Cb 0.06 -1.94 0.02 0.00 1.01 0.00 0.00 42.92 42.08 3b5h s ASP 136 CO 0.67 0.31 -0.03 0.26 0.21 0.00 0.00 175.17 176.59 3b5h s TRP 137 N -0.42 0.62 0.04 4.23 0.52 -1.26 -2.39 118.94 120.28 3b5h s TRP 137 Ca 0.11 -0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.13 3b5h s TRP 137 Cb -0.12 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.58 3b5h s TRP 137 CO 0.02 -0.18 -0.13 0.00 0.02 0.00 0.00 176.95 176.68 3b5h s ALA 138 N 1.00 1.07 0.18 0.98 0.00 -1.17 -5.02 121.76 118.79 3b5h s ALA 138 Ca -0.10 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.13 3b5h s ALA 138 Cb -0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3b5h s ALA 138 CO -0.01 0.18 -0.11 -1.58 0.00 0.00 0.00 175.76 174.24 3b5h s TRP 139 N -0.95 2.61 0.03 0.00 0.52 -1.26 -1.30 118.94 118.59 3b5h s TRP 139 Ca -0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 55.88 3b5h s TRP 139 Cb -0.08 -1.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.93 3b5h s TRP 139 CO 0.01 0.50 -0.03 0.71 0.02 0.00 0.00 176.95 178.16 3b5h s TYR 140 N -1.66 0.34 -0.32 -1.98 1.51 0.73 -1.93 117.35 114.05 3b5h s TYR 140 Ca 0.24 -0.66 -0.11 0.00 -1.01 0.00 0.00 57.07 55.53 3b5h s TYR 140 Cb -0.09 -0.25 -0.02 0.00 -0.11 0.00 0.00 41.96 41.50 3b5h s TYR 140 CO 0.14 -0.23 0.19 0.21 -1.11 0.00 0.00 175.55 174.75 3b5h s LYS 141 N -2.08 3.47 -0.07 -0.62 2.47 0.65 -0.39 119.74 123.18 3b5h s LYS 141 Ca -0.10 -0.64 -0.24 0.00 -1.56 0.00 0.00 55.97 53.43 3b5h s LYS 141 Cb -0.06 -3.66 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 3b5h s LYS 141 CO -0.03 -0.39 0.71 0.42 0.16 0.00 0.00 175.35 176.21 3b5h s ILE 142 N 1.67 5.04 0.26 5.43 -1.09 0.02 -0.43 121.20 132.10 3b5h s ILE 142 Ca 0.05 1.46 0.05 0.00 -2.23 0.00 0.00 60.65 59.99 3b5h s ILE 142 Cb -0.17 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 3b5h s ILE 142 CO 0.08 0.24 0.19 0.35 -1.23 0.00 0.00 174.94 174.58 3b5h n THR 143 N 3.81 0.00 -0.17 2.92 -2.24 -1.24 -4.27 114.28 113.09 3b5h n THR 143 Ca -0.01 -1.80 -0.11 0.00 -2.27 0.00 0.00 64.05 59.86 3b5h n THR 143 Cb 0.51 0.85 0.01 0.00 -2.10 0.00 0.00 70.33 69.60 3b5h n THR 143 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3b5h h ASP 144 N 1.46 1.03 0.08 3.42 3.32 -2.03 -3.37 116.42 120.32 3b5h h ASP 144 Ca -0.19 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.48 3b5h h ASP 144 Cb 0.89 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3b5h h ASP 144 CO 0.28 1.18 -0.04 0.77 -1.72 0.00 0.00 179.24 179.71 3b5h h SER 145 N 0.88 -0.09 -4.97 6.45 4.64 -2.00 -3.50 113.55 114.96 3b5h h SER 145 Ca 0.12 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.57 3b5h h SER 145 Cb 0.77 0.02 -0.12 0.00 -0.31 0.00 0.00 62.40 62.77 3b5h h SER 145 CO 0.06 0.16 0.46 -1.61 -0.87 0.00 0.00 176.83 175.03 3b5h s GLU 146 N -1.78 1.04 -0.34 4.77 2.02 -1.26 -5.13 118.70 118.03 3b5h s GLU 146 Ca -0.02 -0.49 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 3b5h s GLU 146 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.65 3b5h s GLU 146 CO 0.05 -0.47 1.33 -0.51 0.02 0.00 0.00 175.26 175.68 3b5h s ASP 147 N -2.71 6.57 -0.20 -0.19 1.01 -1.26 -3.73 116.67 116.17 3b5h s ASP 147 Ca 0.08 1.07 -0.25 0.00 0.71 0.00 0.00 52.55 54.15 3b5h s ASP 147 Cb -0.01 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 3b5h s ASP 147 CO -0.04 -1.19 0.85 -0.75 0.21 0.00 0.00 175.17 174.25 3b5h s LYS 148 N 4.40 4.26 -0.01 8.23 2.20 0.43 -4.85 119.74 134.40 3b5h s LYS 148 Ca 0.57 1.03 -0.30 0.00 -0.36 0.00 0.00 55.97 56.91 3b5h s LYS 148 Cb -0.15 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.50 3b5h s LYS 148 CO 0.26 -0.42 1.55 0.00 -0.36 0.00 0.00 175.35 176.39 3b5h s ALA 149 N 2.48 3.63 -1.10 3.13 0.00 -1.26 -0.25 121.76 128.39 3b5h s ALA 149 Ca 0.38 0.96 -0.13 0.00 0.00 0.00 0.00 51.96 53.17 3b5h s ALA 149 Cb -0.16 -3.68 0.21 0.00 0.00 0.00 0.00 23.12 19.49 3b5h s ALA 149 CO 0.10 -1.17 1.21 -0.51 0.00 0.00 0.00 175.76 175.39 3b5h s LEU 150 N 3.18 5.71 0.35 0.00 1.43 -0.81 -4.95 118.68 123.59 3b5h s LEU 150 Ca 0.70 -3.07 -0.26 0.00 -1.03 0.00 0.00 54.13 50.47 3b5h s LEU 150 Cb -0.34 -2.31 -0.09 0.00 0.03 0.00 0.00 46.19 43.48 3b5h s LEU 150 CO 0.28 -0.60 1.04 -0.04 0.23 0.00 0.00 176.35 177.27 3b5h s MET 151 N 0.52 4.40 0.19 1.70 -1.94 -1.26 -4.59 119.30 118.32 3b5h s MET 151 Ca 0.34 1.57 -0.32 0.00 -1.71 0.00 0.00 55.69 55.57 3b5h s MET 151 Cb -0.06 -2.80 -0.15 0.00 2.01 0.00 0.00 34.83 33.82 3b5h s MET 151 CO -0.05 0.06 1.21 -1.71 -0.01 0.00 0.00 175.02 174.51 3b5h n ASN 152 N 0.46 1.64 0.00 3.03 5.15 -1.26 -2.10 115.26 122.19 3b5h n ASN 152 Ca 0.02 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 3b5h n ASN 152 Cb 0.48 -1.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.47 3b5h n ASN 152 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3b5h n GLY 153 N 2.01 2.20 3.68 8.20 0.00 0.48 -4.96 105.19 116.80 3b5h n GLY 153 Ca 0.14 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.69 3b5h n GLY 153 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3b5h n SER 154 N 0.00 3.57 -0.55 1.61 2.88 -0.89 -2.26 113.62 117.98 3b5h n SER 154 Ca 0.00 0.98 -0.07 0.00 -1.33 0.00 0.00 58.87 58.44 3b5h n SER 154 Cb 0.00 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.01 3b5h n SER 154 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3b5h n GLU 155 N 6.30 -1.65 -1.44 -1.46 1.02 -1.26 -1.55 120.64 120.60 3b5h n GLU 155 Ca 0.21 0.73 -0.16 0.00 -0.02 0.00 0.00 57.16 57.92 3b5h n GLU 155 Cb 0.32 -5.08 -0.07 0.00 -0.02 0.00 0.00 31.44 26.59 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 -0.99 -5.12 -0.01 1.62 7.64 -0.96 -4.78 113.62 111.02 3b5h n SER 156 Ca -0.07 0.39 -0.01 0.00 1.01 0.00 0.00 58.87 60.19 3b5h n SER 156 Cb 0.52 -4.27 -0.02 0.00 -1.01 0.00 0.00 64.21 59.43 3b5h n SER 156 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3b5h n ARG 157 N -1.69 2.59 -3.76 1.43 1.74 -0.75 -4.89 116.66 111.32 3b5h n ARG 157 Ca -0.16 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.55 3b5h n ARG 157 Cb 0.60 -1.08 -0.12 0.00 -1.02 0.00 0.00 32.46 30.84 3b5h n ARG 157 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3b5h s PHE 158 N -2.11 3.12 -0.04 -1.55 0.40 -0.60 -0.24 117.98 116.96 3b5h s PHE 158 Ca -0.01 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 3b5h s PHE 158 Cb 0.01 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.32 3b5h s PHE 158 CO 0.13 -0.28 -0.04 -0.06 0.70 0.00 0.00 175.22 175.66 3b5h s PHE 159 N 1.52 0.71 -0.19 0.36 0.40 -0.16 0.18 117.98 120.79 3b5h s PHE 159 Ca 0.06 -0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.18 3b5h s PHE 159 Cb -0.15 -0.65 -0.00 0.00 0.51 0.00 0.00 43.02 42.73 3b5h s PHE 159 CO 0.04 -0.19 -0.10 0.14 0.70 0.00 0.00 175.22 175.82 3b5h s VAL 160 N 0.95 2.98 -0.36 -0.44 -7.23 -1.26 -0.32 120.40 114.72 3b5h s VAL 160 Ca -0.11 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.41 3b5h s VAL 160 Cb -0.14 -2.32 0.08 0.00 0.56 0.00 0.00 36.38 34.57 3b5h s VAL 160 CO -0.00 0.47 0.12 -0.55 -0.31 0.00 0.00 175.10 174.83 3b5h s SER 161 N 1.21 5.10 -0.18 4.85 0.15 -0.31 -4.92 113.70 119.60 3b5h s SER 161 Ca 0.02 -1.73 0.01 0.00 0.70 0.00 0.00 55.95 54.95 3b5h s SER 161 Cb -0.14 -1.78 0.02 0.00 -1.71 0.00 0.00 66.02 62.41 3b5h s SER 161 CO -0.04 -0.42 -0.19 -0.94 1.20 0.00 0.00 173.24 172.85 3b5h s SER 162 N 1.54 3.07 0.04 5.45 1.04 -1.26 -1.02 113.70 122.56 3b5h s SER 162 Ca 0.03 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.84 3b5h s SER 162 Cb -0.21 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.47 3b5h s SER 162 CO -0.03 -0.01 0.01 -1.54 0.98 0.00 0.00 173.24 172.65 3b5h n SER 163 N 4.63 1.91 -0.03 7.02 3.41 0.70 -4.99 113.62 126.27 3b5h n SER 163 Ca -0.20 -1.17 0.24 0.00 -0.26 0.00 0.00 58.87 57.48 3b5h n SER 163 Cb 0.50 0.02 0.71 0.00 -0.26 0.00 0.00 64.21 65.18 3b5h n SER 163 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3b5h h GLN 164 N 0.00 0.00 0.00 4.33 7.50 -1.91 -2.72 115.11 122.31 3b5h h GLN 164 Ca -0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.12 3b5h h GLN 164 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 3b5h h GLN 164 CO 0.05 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.79 3b5h n GLY 165 N -1.58 -2.25 3.00 3.46 0.00 -1.26 -3.90 105.19 102.65 3b5h n GLY 165 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.38 -0.09 1.61 6.06 -1.03 -2.86 118.95 123.02 3b5h s ARG 166 Ca 0.00 -0.54 -0.04 0.00 -2.50 0.00 0.00 55.73 52.65 3b5h s ARG 166 Cb 0.00 -0.15 0.05 0.00 0.06 0.00 0.00 34.95 34.91 3b5h s ARG 166 CO 0.00 0.02 0.18 0.45 -2.50 0.00 0.00 175.30 173.45 3b5h s SER 167 N -1.14 0.44 -0.20 -2.12 0.15 -0.95 -0.22 113.70 109.67 3b5h s SER 167 Ca -0.09 0.39 -0.06 0.00 0.70 0.00 0.00 55.95 56.89 3b5h s SER 167 Cb -0.08 0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 3b5h s SER 167 CO -0.00 -0.22 0.02 -1.61 1.20 0.00 0.00 173.24 172.63 3b5h s GLU 168 N 2.03 3.71 -0.25 5.44 2.02 -0.19 -1.71 118.70 129.76 3b5h s GLU 168 Ca -0.00 -0.47 -0.09 0.00 0.02 0.00 0.00 54.97 54.42 3b5h s GLU 168 Cb -0.12 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 3b5h s GLU 168 CO -0.06 0.07 0.12 -1.17 0.02 0.00 0.00 175.26 174.24 3b5h s LEU 169 N 0.87 3.76 -0.25 1.80 1.98 0.18 -1.17 118.68 125.86 3b5h s LEU 169 Ca 0.02 -0.08 -0.04 0.00 -2.89 0.00 0.00 54.13 51.15 3b5h s LEU 169 Cb -0.14 -2.02 0.01 0.00 0.66 0.00 0.00 46.19 44.70 3b5h s LEU 169 CO 0.02 -0.01 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.45 3b5h s HIS 170 N 1.51 3.04 -0.44 5.38 3.76 0.56 -0.02 115.29 129.08 3b5h s HIS 170 Ca 0.06 -1.19 -0.10 0.00 -0.15 0.00 0.00 55.06 53.68 3b5h s HIS 170 Cb -0.15 -2.12 0.09 0.00 1.11 0.00 0.00 32.58 31.51 3b5h s HIS 170 CO 0.06 -0.63 0.30 0.42 -0.85 0.00 0.00 174.74 174.05 3b5h s ILE 171 N 1.42 4.36 0.65 0.60 1.01 -0.42 -0.99 121.20 127.83 3b5h s ILE 171 Ca 0.03 -1.47 -0.12 0.00 0.00 0.00 0.00 60.65 59.09 3b5h s ILE 171 Cb -0.16 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3b5h s ILE 171 CO -0.02 -0.60 1.05 -1.61 0.00 0.00 0.00 174.94 173.75 3b5h s GLU 172 N 1.44 3.24 -1.15 2.79 2.02 0.67 -0.75 118.70 126.95 3b5h s GLU 172 Ca 0.04 0.95 -0.16 0.00 0.02 0.00 0.00 54.97 55.81 3b5h s GLU 172 Cb -0.24 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3b5h s GLU 172 CO 0.02 -0.86 0.78 0.09 0.02 0.00 0.00 175.26 175.31 3b5h n ASN 173 N -2.73 -4.89 -4.60 -0.19 3.02 0.24 -4.83 115.26 101.27 3b5h n ASN 173 Ca 0.07 -0.96 -0.43 0.00 -0.03 0.00 0.00 54.58 53.23 3b5h n ASN 173 Cb 0.54 -3.66 -0.00 0.00 -0.61 0.00 0.00 39.78 36.05 3b5h n ASN 173 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3b5h n LEU 174 N -4.08 2.21 -3.95 3.41 4.77 -1.09 -4.57 117.00 113.70 3b5h n LEU 174 Ca -0.12 1.13 -0.23 0.00 -0.03 0.00 0.00 56.01 56.76 3b5h n LEU 174 Cb 0.61 -1.33 -0.17 0.00 -2.33 0.00 0.00 43.42 40.20 3b5h n LEU 174 CO 0.67 -1.36 -0.44 0.21 -1.33 0.00 0.00 177.39 175.13 3b5h s ASN 175 N -0.60 1.52 0.31 -1.43 3.84 -1.26 -1.52 114.94 115.80 3b5h s ASN 175 Ca 0.60 -0.23 0.04 0.00 0.21 0.00 0.00 52.86 53.48 3b5h s ASN 175 Cb -0.63 -0.68 0.50 0.00 -0.55 0.00 0.00 41.25 39.89 3b5h s ASN 175 CO 0.59 -0.03 1.78 0.24 -2.79 0.00 0.00 177.10 176.89 3b5h h MET 176 N 7.25 0.45 0.00 0.43 2.86 -1.97 -1.23 114.93 122.71 3b5h h MET 176 Ca -0.33 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.01 3b5h h MET 176 Cb 1.17 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 3b5h h MET 176 CO 0.46 0.62 -0.75 1.49 1.06 0.00 0.00 176.91 179.79 3b5h h GLU 177 N 0.41 0.00 0.00 1.72 4.81 -1.98 -3.40 114.58 116.13 3b5h h GLU 177 Ca 0.07 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.99 3b5h h GLU 177 Cb 0.56 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 3b5h h GLU 177 CO 0.04 0.75 -2.15 0.00 -0.73 0.00 0.00 179.01 176.91 3b5h n ALA 178 N -2.38 1.56 -0.09 2.92 0.00 -1.11 -4.86 120.51 116.56 3b5h n ALA 178 Ca -0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 53.44 52.42 3b5h n ALA 178 Cb 0.74 0.02 -0.14 0.00 0.00 0.00 0.00 19.45 20.07 3b5h n ALA 178 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3b5h n ASP 179 N -3.06 0.85 -4.66 0.00 10.43 -0.48 -4.94 116.55 114.69 3b5h n ASP 179 Ca -0.35 0.04 -0.50 0.00 2.57 0.00 0.00 54.79 56.55 3b5h n ASP 179 Cb 0.89 0.30 -0.05 0.00 1.84 0.00 0.00 41.12 44.10 3b5h n ASP 179 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3b5h n PRO 180 N -3.00 1.78 -3.76 -0.24 -0.02 -1.26 -4.83 135.00 123.68 3b5h n PRO 180 Ca -0.34 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3b5h n PRO 180 Cb 1.09 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3b5h n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b5h n GLY 181 N 3.52 -0.49 3.63 -1.23 0.00 -1.07 -4.98 105.19 104.56 3b5h n GLY 181 Ca 0.20 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 3b5h n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3b5h s GLN 182 N -1.94 4.06 -0.11 1.61 -1.52 -1.26 -1.15 119.66 119.36 3b5h s GLN 182 Ca 0.00 0.05 0.01 0.00 -1.95 0.00 0.00 55.36 53.48 3b5h s GLN 182 Cb 0.00 -3.61 -0.02 0.00 -0.22 0.00 0.00 33.01 29.16 3b5h s GLN 182 CO 0.00 -0.18 -0.15 0.71 -0.25 0.00 0.00 175.29 175.42 3b5h s TYR 183 N 1.77 2.75 0.01 0.91 1.51 0.69 -0.80 117.35 124.20 3b5h s TYR 183 Ca 0.15 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 3b5h s TYR 183 Cb -0.15 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 3b5h s TYR 183 CO 0.09 -0.15 0.01 0.50 -1.11 0.00 0.00 175.55 174.89 3b5h s ARG 184 N 0.12 2.78 -0.24 -0.62 3.52 0.48 -0.54 118.95 124.45 3b5h s ARG 184 Ca -0.07 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 3b5h s ARG 184 Cb -0.15 -2.67 0.06 0.00 -1.56 0.00 0.00 34.95 30.63 3b5h s ARG 184 CO 0.05 0.61 -0.07 0.00 -0.81 0.00 0.00 175.30 175.08 3b5h s ASN 186 N 1.30 6.21 -0.12 0.00 0.01 -0.42 -2.45 114.94 119.47 3b5h s ASN 186 Ca -0.07 -1.02 -0.17 0.00 -0.71 0.00 0.00 52.86 50.89 3b5h s ASN 186 Cb -0.19 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 3b5h s ASN 186 CO -0.06 -0.84 0.43 -0.83 -1.51 0.00 0.00 177.10 174.30 3b5h s GLY 187 N 2.68 2.36 -0.02 0.66 0.00 -0.82 -3.05 107.32 109.13 3b5h s GLY 187 Ca 0.12 -0.24 0.06 0.00 0.00 0.00 0.00 44.72 44.66 3b5h s GLY 187 CO 0.11 0.66 -0.21 -1.59 0.00 0.00 0.00 173.10 172.06 3b5h s THR 188 N 0.47 1.69 0.31 0.90 2.01 -1.00 -1.25 115.64 118.76 3b5h s THR 188 Ca 0.24 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.38 3b5h s THR 188 Cb -0.15 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 3b5h s THR 188 CO 0.09 0.48 0.18 -0.24 -0.69 0.00 0.00 174.62 174.43 3b5h n SER 189 N 2.65 0.33 0.26 3.53 2.88 -0.30 -3.03 113.62 119.95 3b5h n SER 189 Ca -0.16 -2.81 0.10 0.00 -1.33 0.00 0.00 58.87 54.68 3b5h n SER 189 Cb 0.53 1.11 0.71 0.00 -0.75 0.00 0.00 64.21 65.81 3b5h n SER 189 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3b5h h SER 190 N 1.51 0.00 -0.01 -3.46 0.02 -1.90 -3.03 113.55 106.69 3b5h h SER 190 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3b5h h SER 190 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3b5h h SER 190 CO 0.35 0.00 -0.05 0.29 -1.14 0.00 0.00 176.83 176.28 3b5h n LYS 191 N -4.36 1.90 0.00 3.45 4.76 -1.26 -5.05 118.16 117.60 3b5h n LYS 191 Ca -0.03 -1.39 0.00 0.00 -2.87 0.00 0.00 58.31 54.02 3b5h n LYS 191 Cb 0.11 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3b5h n LYS 191 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b5h n GLY 192 N 1.28 0.70 3.56 0.72 0.00 -1.15 -4.19 105.19 106.11 3b5h n GLY 192 Ca 0.16 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.63 0.26 1.61 1.04 -1.26 -1.15 113.70 109.57 3b5h s SER 193 Ca 0.00 0.86 0.04 0.00 0.48 0.00 0.00 55.95 57.33 3b5h s SER 193 Cb 0.00 0.74 -0.06 0.00 0.10 0.00 0.00 66.02 66.81 3b5h s SER 193 CO 0.00 -0.46 -0.00 -0.62 0.98 0.00 0.00 173.24 173.13 3b5h s ASP 194 N -0.73 2.16 0.24 7.02 3.68 -0.38 -4.86 116.67 123.80 3b5h s ASP 194 Ca -0.06 -1.24 0.08 0.00 2.13 0.00 0.00 52.55 53.45 3b5h s ASP 194 Cb -0.02 -0.05 -0.04 0.00 -1.45 0.00 0.00 42.92 41.36 3b5h s ASP 194 CO 0.06 -0.49 0.08 -1.10 0.13 0.00 0.00 175.17 173.85 3b5h s GLN 195 N -3.84 2.59 -0.18 4.34 -0.21 -1.26 -1.95 119.66 119.15 3b5h s GLN 195 Ca 0.30 -1.19 -0.17 0.00 0.02 0.00 0.00 55.36 54.32 3b5h s GLN 195 Cb 0.06 -2.38 0.05 0.00 1.00 0.00 0.00 33.01 31.74 3b5h s GLN 195 CO 0.11 0.40 0.48 0.00 -2.12 0.00 0.00 175.29 174.16 3b5h s ALA 196 N -2.12 -1.18 -0.16 6.09 0.00 -1.02 -4.45 121.76 118.92 3b5h s ALA 196 Ca 0.31 1.35 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 3b5h s ALA 196 Cb -0.08 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 3b5h s ALA 196 CO 0.22 -0.23 -0.14 0.42 0.00 0.00 0.00 175.76 176.03 3b5h s ILE 197 N 0.26 2.77 -0.17 0.00 1.01 -1.26 -1.72 121.20 122.10 3b5h s ILE 197 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3b5h s ILE 197 Cb -0.03 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 3b5h s ILE 197 CO 0.01 0.51 -0.11 -0.63 0.00 0.00 0.00 174.94 174.71 3b5h s ILE 198 N 0.82 3.03 -0.20 2.92 1.01 0.30 -4.84 121.20 124.23 3b5h s ILE 198 Ca -0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 3b5h s ILE 198 Cb -0.15 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3b5h s ILE 198 CO 0.00 0.49 0.09 -0.89 0.00 0.00 0.00 174.94 174.64 3b5h s THR 199 N 0.86 5.02 -0.06 2.92 2.01 -1.08 -0.22 115.64 125.09 3b5h s THR 199 Ca -0.03 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.06 3b5h s THR 199 Cb -0.15 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 3b5h s THR 199 CO 0.00 0.44 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.99 3b5h s LEU 200 N 0.50 2.65 0.12 4.42 0.20 -0.30 -1.42 118.68 124.85 3b5h s LEU 200 Ca 0.05 -0.25 0.07 0.00 0.69 0.00 0.00 54.13 54.70 3b5h s LEU 200 Cb -0.12 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 3b5h s LEU 200 CO 0.00 0.32 -0.17 -0.13 -0.29 0.00 0.00 176.35 176.09 3b5h s ARG 201 N -0.58 1.08 0.00 1.98 0.52 -0.92 -2.61 118.95 118.42 3b5h s ARG 201 Ca 0.08 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 3b5h s ARG 201 Cb -0.11 -1.11 0.00 0.00 0.52 0.00 0.00 34.95 34.25 3b5h s ARG 201 CO 0.01 0.23 0.01 0.28 0.02 0.00 0.00 175.30 175.85