#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b5l h SER -2 N 0.00 0.00 -1.76 1.61 4.64 -2.03 -3.46 113.55 112.55 3b5l h SER -2 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 3b5l h SER -2 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.15 3b5l h SER -2 CO 0.00 0.07 0.38 1.57 -0.87 0.00 0.00 176.83 177.99 3b5l n HIS -1 N -3.12 1.42 -3.14 4.77 -0.00 -1.26 -4.93 115.22 108.96 3b5l n HIS -1 Ca 0.03 0.66 -0.44 0.00 -0.00 0.00 0.00 57.72 57.97 3b5l n HIS -1 Cb 0.54 -2.31 -0.05 0.00 -0.00 0.00 0.00 29.99 28.17 3b5l n HIS -1 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3b5l s MET 0 N 0.18 3.07 0.47 1.57 1.00 -1.26 -4.91 119.30 119.42 3b5l s MET 0 Ca 0.81 -1.15 -0.24 0.00 0.00 0.00 0.00 55.69 55.10 3b5l s MET 0 Cb -0.92 -4.19 -0.07 0.00 0.00 0.00 0.00 34.83 29.64 3b5l s MET 0 CO 0.49 -1.39 1.38 -0.51 0.00 0.00 0.00 175.02 174.98 3b5l s ASP 1 N 3.22 5.80 0.23 3.03 1.11 -1.26 -5.04 116.67 123.76 3b5l s ASP 1 Ca 0.13 2.82 0.07 0.00 0.18 0.00 0.00 52.55 55.74 3b5l s ASP 1 Cb -0.22 -2.64 -0.05 0.00 1.07 0.00 0.00 42.92 41.07 3b5l s ASP 1 CO 0.08 -1.21 -0.10 0.42 1.18 0.00 0.00 175.17 175.54 3b5l s THR 2 N -1.25 1.63 -0.12 -1.27 -4.23 -1.22 -4.98 115.64 104.19 3b5l s THR 2 Ca 0.63 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 3b5l s THR 2 Cb -0.41 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.24 3b5l s THR 2 CO 0.52 -0.47 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.09 3b5l s THR 3 N -3.03 1.54 -0.11 3.99 2.01 -1.26 -1.07 115.64 117.71 3b5l s THR 3 Ca 0.25 -0.65 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 3b5l s THR 3 Cb 0.01 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 3b5l s THR 3 CO 0.09 0.45 0.22 -0.63 -0.69 0.00 0.00 174.62 174.06 3b5l s ILE 4 N 1.17 5.36 0.00 1.82 1.01 0.13 -4.93 121.20 125.76 3b5l s ILE 4 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.03 3b5l s ILE 4 Cb -0.14 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3b5l s ILE 4 CO -0.05 0.55 0.18 0.35 0.00 0.00 0.00 174.94 175.97 3b5l n THR 5 N 2.40 0.00 -4.74 2.92 -2.24 -1.26 -1.30 114.28 110.06 3b5l n THR 5 Ca -0.17 -0.21 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 3b5l n THR 5 Cb 0.53 1.51 -0.14 0.00 -2.10 0.00 0.00 70.33 70.13 3b5l n THR 5 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3b5l s GLN 6 N -0.05 1.49 -0.26 -0.78 1.11 -1.26 -4.25 119.66 115.65 3b5l s GLN 6 Ca 0.00 -0.92 -0.42 0.00 0.01 0.00 0.00 55.36 54.03 3b5l s GLN 6 Cb 0.00 -1.58 -0.18 0.00 -1.01 0.00 0.00 33.01 30.24 3b5l s GLN 6 CO 0.00 0.41 1.56 0.09 0.01 0.00 0.00 175.29 177.36 3b5l n ASN 7 N 1.97 1.61 -3.58 5.90 3.02 -1.26 -4.90 115.26 118.02 3b5l n ASN 7 Ca -0.17 1.13 -0.05 0.00 -0.03 0.00 0.00 54.58 55.46 3b5l n ASN 7 Cb 0.53 -1.04 -0.02 0.00 -0.61 0.00 0.00 39.78 38.65 3b5l n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b5l s GLN 8 N 2.50 0.67 0.10 3.52 -2.07 -0.40 -5.02 119.66 118.96 3b5l s GLN 8 Ca 0.98 -0.29 0.03 0.00 -1.82 0.00 0.00 55.36 54.26 3b5l s GLN 8 Cb -1.22 0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 30.94 3b5l s GLN 8 CO 0.67 -0.30 -0.08 0.95 -1.32 0.00 0.00 175.29 175.22 3b5l s THR 9 N -2.85 0.82 -0.82 3.63 -4.23 -1.26 -0.90 115.64 110.02 3b5l s THR 9 Ca 0.08 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3b5l s THR 9 Cb -0.00 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.28 3b5l s THR 9 CO -0.05 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.89 3b5l n GLY 10 N 0.17 -0.71 3.27 3.99 0.00 -0.89 -5.00 105.19 106.03 3b5l n GLY 10 Ca -0.13 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 3b5l n GLY 10 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b5l s TYR 11 N -3.00 1.99 -0.13 1.61 2.02 -1.26 -0.96 117.35 117.62 3b5l s TYR 11 Ca 0.00 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.28 3b5l s TYR 11 Cb 0.00 -1.21 0.06 0.00 -0.40 0.00 0.00 41.96 40.40 3b5l s TYR 11 CO 0.00 0.07 0.12 0.34 -1.57 0.00 0.00 175.55 174.51 3b5l s ASP 12 N -1.03 1.66 -1.55 2.29 3.68 0.74 -4.84 116.67 117.62 3b5l s ASP 12 Ca 0.09 -0.24 -0.03 0.00 2.13 0.00 0.00 52.55 54.50 3b5l s ASP 12 Cb -0.09 -0.03 0.01 0.00 -1.45 0.00 0.00 42.92 41.36 3b5l s ASP 12 CO 0.01 -0.31 0.33 0.59 0.13 0.00 0.00 175.17 175.92 3b5l n ASN 13 N 5.30 -5.58 0.00 -0.34 3.02 -1.26 -1.40 115.26 115.00 3b5l n ASN 13 Ca -0.05 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3b5l n ASN 13 Cb 0.49 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 3b5l n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b5l n GLY 14 N -1.24 1.47 3.70 7.41 0.00 -1.26 -4.86 105.19 110.41 3b5l n GLY 14 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3b5l n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b5l s TYR 15 N -3.18 3.41 0.38 1.61 1.51 -0.49 -5.01 117.35 115.58 3b5l s TYR 15 Ca 0.00 0.54 -0.28 0.00 -1.01 0.00 0.00 57.07 56.32 3b5l s TYR 15 Cb 0.00 -2.37 -0.10 0.00 -0.11 0.00 0.00 41.96 39.38 3b5l s TYR 15 CO 0.00 0.15 1.42 0.12 -1.11 0.00 0.00 175.55 176.14 3b5l s PHE 16 N 0.76 2.69 0.07 2.71 5.36 -0.63 -0.18 117.98 128.76 3b5l s PHE 16 Ca 0.15 1.25 0.03 0.00 -0.96 0.00 0.00 56.93 57.41 3b5l s PHE 16 Cb -0.13 -3.91 -0.03 0.00 -0.34 0.00 0.00 43.02 38.61 3b5l s PHE 16 CO 0.05 -2.67 -0.10 1.52 -1.46 0.00 0.00 175.22 172.56 3b5l s TYR 17 N -1.15 0.95 -0.05 10.12 -0.85 -0.13 -0.23 117.35 126.01 3b5l s TYR 17 Ca 0.53 -0.56 -0.02 0.00 -0.52 0.00 0.00 57.07 56.50 3b5l s TYR 17 Cb -0.44 -0.54 0.03 0.00 0.38 0.00 0.00 41.96 41.39 3b5l s TYR 17 CO 0.59 -0.02 0.11 0.45 -1.52 0.00 0.00 175.55 175.15 3b5l s SER 18 N -1.99 -0.06 -0.07 -0.18 0.15 -0.67 -2.10 113.70 108.79 3b5l s SER 18 Ca -0.02 0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.87 3b5l s SER 18 Cb -0.07 0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 3b5l s SER 18 CO 0.00 -0.13 -0.13 0.12 1.20 0.00 0.00 173.24 174.31 3b5l s PHE 19 N 1.02 1.51 -0.08 3.44 5.36 -0.08 -1.62 117.98 127.53 3b5l s PHE 19 Ca -0.08 -0.57 -0.06 0.00 -0.96 0.00 0.00 56.93 55.26 3b5l s PHE 19 Cb -0.11 -1.11 0.03 0.00 -0.34 0.00 0.00 43.02 41.49 3b5l s PHE 19 CO -0.04 -0.30 0.20 -0.46 -1.46 0.00 0.00 175.22 173.16 3b5l s TRP 20 N 0.71 -0.24 0.06 10.12 -0.00 -0.22 -1.28 118.94 128.08 3b5l s TRP 20 Ca -0.14 0.60 -0.19 0.00 -0.00 0.00 0.00 56.10 56.37 3b5l s TRP 20 Cb -0.16 0.04 0.04 0.00 -0.00 0.00 0.00 33.47 33.39 3b5l s TRP 20 CO 0.03 -0.15 0.44 -0.08 -0.00 0.00 0.00 176.95 177.19 3b5l s THR 21 N 0.62 0.05 -1.44 5.86 -1.32 -1.26 -0.99 115.64 117.16 3b5l s THR 21 Ca -0.04 -0.42 0.18 0.00 -1.21 0.00 0.00 61.69 60.20 3b5l s THR 21 Cb -0.06 -0.98 0.54 0.00 -1.51 0.00 0.00 72.50 70.49 3b5l s THR 21 CO -0.03 -0.23 1.46 -0.90 -2.21 0.00 0.00 174.62 172.70 3b5l n ASP 22 N 0.39 3.74 -3.18 8.08 5.68 -0.98 -4.66 116.55 125.61 3b5l n ASP 22 Ca -0.18 -2.10 -0.22 0.00 -0.50 0.00 0.00 54.79 51.79 3b5l n ASP 22 Cb 0.60 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 40.11 3b5l n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3b5l n ALA 23 N 1.12 2.72 -1.76 2.12 0.00 -1.26 -4.89 120.51 118.56 3b5l n ALA 23 Ca 0.20 -3.72 -0.41 0.00 0.00 0.00 0.00 53.44 49.51 3b5l n ALA 23 Cb 0.61 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 3b5l n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3b5l s PRO 24 N -2.20 4.10 0.00 0.00 0.04 -1.26 -2.27 135.00 133.40 3b5l s PRO 24 Ca 0.40 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.04 3b5l s PRO 24 Cb 0.26 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3b5l s PRO 24 CO -0.09 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.74 3b5l n GLY 25 N 1.46 0.17 0.35 0.56 0.00 -1.26 -4.91 105.19 101.56 3b5l n GLY 25 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 3b5l n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3b5l n THR 26 N -2.00 0.03 -3.70 2.61 -2.24 -0.96 -5.00 114.28 103.02 3b5l n THR 26 Ca 0.00 -0.52 -0.14 0.00 -2.27 0.00 0.00 64.05 61.12 3b5l n THR 26 Cb 0.00 1.16 -0.09 0.00 -2.10 0.00 0.00 70.33 69.30 3b5l n THR 26 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3b5l s VAL 27 N -0.72 0.02 0.04 2.28 0.11 -1.26 -1.39 120.40 119.48 3b5l s VAL 27 Ca 0.10 -0.16 -0.00 0.00 -2.93 0.00 0.00 61.98 59.00 3b5l s VAL 27 Cb 0.07 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3b5l s VAL 27 CO 0.11 -0.09 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.82 3b5l s SER 28 N -0.50 0.49 -0.09 3.54 1.04 -0.23 -4.66 113.70 113.30 3b5l s SER 28 Ca -0.06 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.59 3b5l s SER 28 Cb -0.03 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.25 3b5l s SER 28 CO 0.03 -0.46 -0.13 -0.32 0.98 0.00 0.00 173.24 173.34 3b5l s MET 29 N -2.91 1.93 -0.23 4.02 0.00 -0.42 -2.08 119.30 119.61 3b5l s MET 29 Ca -0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 55.69 55.13 3b5l s MET 29 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 34.83 33.15 3b5l s MET 29 CO -0.06 -0.04 0.09 0.99 0.00 0.00 0.00 175.02 176.00 3b5l s THR 30 N 0.92 4.69 -0.22 10.11 2.01 0.80 0.20 115.64 134.14 3b5l s THR 30 Ca -0.09 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.62 3b5l s THR 30 Cb -0.15 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3b5l s THR 30 CO 0.00 0.37 0.81 -0.76 -0.69 0.00 0.00 174.62 174.35 3b5l s LEU 31 N 1.17 4.11 0.00 4.42 1.43 -0.23 -0.68 118.68 128.90 3b5l s LEU 31 Ca 0.05 1.05 0.06 0.00 -1.03 0.00 0.00 54.13 54.26 3b5l s LEU 31 Cb -0.14 -3.17 0.06 0.00 0.03 0.00 0.00 46.19 42.97 3b5l s LEU 31 CO 0.04 -0.46 0.51 1.41 0.23 0.00 0.00 176.35 178.08 3b5l n HIS 32 N 5.71 -1.65 -1.46 0.29 8.25 -0.56 -3.43 115.22 122.37 3b5l n HIS 32 Ca 0.05 -1.81 -0.36 0.00 -0.26 0.00 0.00 57.72 55.34 3b5l n HIS 32 Cb 0.48 -0.41 0.08 0.00 1.12 0.00 0.00 29.99 31.26 3b5l n HIS 32 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3b5l n SER 33 N -2.18 1.03 0.00 0.41 3.41 -1.26 -4.49 113.62 110.53 3b5l n SER 33 Ca 0.06 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 3b5l n SER 33 Cb 0.50 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 3b5l n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b5l n GLY 34 N 1.00 3.09 1.81 5.00 0.00 -1.26 -2.01 105.19 112.81 3b5l n GLY 34 Ca 0.14 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 3b5l n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b5l n GLY 35 N 0.00 3.61 3.69 -0.02 0.00 -1.26 -4.71 105.19 106.50 3b5l n GLY 35 Ca 0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 3b5l n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3b5l s SER 36 N -0.56 5.13 0.14 1.61 0.01 -0.85 -0.91 113.70 118.26 3b5l s SER 36 Ca 0.39 -0.04 -0.14 0.00 1.31 0.00 0.00 55.95 57.47 3b5l s SER 36 Cb 0.32 -1.32 0.02 0.00 0.21 0.00 0.00 66.02 65.25 3b5l s SER 36 CO 0.08 0.25 0.36 -0.72 0.41 0.00 0.00 173.24 173.62 3b5l s TYR 37 N -1.15 -0.02 0.21 2.43 -0.85 -0.29 -1.50 117.35 116.18 3b5l s TYR 37 Ca 0.21 -0.34 0.09 0.00 -0.52 0.00 0.00 57.07 56.52 3b5l s TYR 37 Cb -0.12 0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 3b5l s TYR 37 CO 0.13 -0.71 -0.17 -1.12 -1.52 0.00 0.00 175.55 172.15 3b5l s SER 38 N -2.86 2.93 0.13 -0.18 0.01 0.15 -0.78 113.70 113.10 3b5l s SER 38 Ca 0.07 -0.97 0.05 0.00 1.31 0.00 0.00 55.95 56.40 3b5l s SER 38 Cb 0.02 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 3b5l s SER 38 CO -0.08 -0.06 -0.11 0.42 0.41 0.00 0.00 173.24 173.82 3b5l s THR 39 N -2.53 1.14 -0.12 1.44 -4.23 0.07 -0.14 115.64 111.27 3b5l s THR 39 Ca 0.23 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 58.79 3b5l s THR 39 Cb -0.04 -1.65 0.04 0.00 1.34 0.00 0.00 72.50 72.20 3b5l s THR 39 CO 0.09 -0.63 0.28 -0.55 -0.54 0.00 0.00 174.62 173.28 3b5l s SER 40 N -2.83 -0.32 0.02 3.99 0.15 -0.88 -1.87 113.70 111.97 3b5l s SER 40 Ca 0.12 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.37 3b5l s SER 40 Cb -0.00 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 3b5l s SER 40 CO 0.01 -0.16 -0.03 -1.66 1.20 0.00 0.00 173.24 172.60 3b5l s TRP 41 N 1.06 0.29 -0.18 3.44 -2.14 -0.18 -1.06 118.94 120.16 3b5l s TRP 41 Ca -0.07 -0.55 -0.04 0.00 2.66 0.00 0.00 56.10 58.09 3b5l s TRP 41 Cb -0.08 -0.21 0.09 0.00 -3.10 0.00 0.00 33.47 30.17 3b5l s TRP 41 CO -0.08 -0.19 0.27 1.03 -2.66 0.00 0.00 176.95 175.32 3b5l s ARG 42 N -1.58 0.20 -1.31 3.25 1.81 -0.49 -1.09 118.95 119.75 3b5l s ARG 42 Ca -0.15 0.51 -0.10 0.00 -1.72 0.00 0.00 55.73 54.27 3b5l s ARG 42 Cb -0.09 -0.56 0.00 0.00 -0.45 0.00 0.00 34.95 33.85 3b5l s ARG 42 CO -0.01 -0.49 0.54 0.09 -0.68 0.00 0.00 175.30 174.74 3b5l n ASN 43 N 5.34 -2.10 -2.01 0.23 3.02 0.06 -4.79 115.26 115.02 3b5l n ASN 43 Ca -0.05 -1.05 -0.00 0.00 -0.03 0.00 0.00 54.58 53.45 3b5l n ASN 43 Cb 0.50 -2.97 0.00 0.00 -0.61 0.00 0.00 39.78 36.70 3b5l n ASN 43 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3b5l n THR 44 N -4.40 0.00 0.00 3.41 5.66 -0.99 -4.82 114.28 113.13 3b5l n THR 44 Ca -0.23 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 3b5l n THR 44 Cb 0.65 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 3b5l n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3b5l n GLY 45 N 4.96 2.03 3.74 1.09 0.00 -1.26 -3.76 105.19 112.00 3b5l n GLY 45 Ca 0.00 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3b5l n GLY 45 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b5l s HIS 46 N 4.17 3.90 0.02 1.61 3.76 -1.26 0.02 115.29 127.52 3b5l s HIS 46 Ca 0.00 1.86 -0.11 0.00 -0.15 0.00 0.00 55.06 56.67 3b5l s HIS 46 Cb 0.00 -3.02 0.01 0.00 1.11 0.00 0.00 32.58 30.68 3b5l s HIS 46 CO 0.00 0.31 0.22 -0.59 -0.85 0.00 0.00 174.74 173.83 3b5l s PHE 47 N -0.73 -0.02 -0.10 1.40 -0.12 -0.54 -2.32 117.98 115.54 3b5l s PHE 47 Ca 0.43 -0.09 -0.07 0.00 -0.05 0.00 0.00 56.93 57.16 3b5l s PHE 47 Cb -0.25 0.01 0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3b5l s PHE 47 CO 0.32 -0.40 0.25 0.15 -0.05 0.00 0.00 175.22 175.49 3b5l s LYS 48 N -1.99 0.26 -0.08 1.99 -0.14 -0.16 -1.30 119.74 118.32 3b5l s LYS 48 Ca -0.09 0.45 -0.06 0.00 -1.36 0.00 0.00 55.97 54.90 3b5l s LYS 48 Cb -0.04 0.02 0.02 0.00 -1.68 0.00 0.00 37.83 36.16 3b5l s LYS 48 CO -0.01 -0.10 0.20 0.00 -0.76 0.00 0.00 175.35 174.68 3b5l s ALA 49 N 0.69 -0.47 -0.02 5.17 0.00 -0.31 -1.05 121.76 125.77 3b5l s ALA 49 Ca -0.05 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 3b5l s ALA 49 Cb -0.06 -0.38 0.12 0.00 0.00 0.00 0.00 23.12 22.80 3b5l s ALA 49 CO -0.04 -0.11 1.22 0.20 0.00 0.00 0.00 175.76 177.02 3b5l s GLY 50 N 0.37 -0.37 0.11 0.00 0.00 -0.64 -0.47 107.32 106.32 3b5l s GLY 50 Ca -0.02 0.78 0.09 0.00 0.00 0.00 0.00 44.72 45.57 3b5l s GLY 50 CO -0.02 0.18 -0.20 0.54 0.00 0.00 0.00 173.10 173.60 3b5l s LYS 51 N -2.56 1.71 0.00 2.90 1.02 -1.22 -1.67 119.74 119.92 3b5l s LYS 51 Ca 0.13 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.91 3b5l s LYS 51 Cb 0.03 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 3b5l s LYS 51 CO -0.03 0.48 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 3b5l n GLY 52 N 0.89 -0.36 2.95 -3.33 0.00 0.68 -0.93 105.19 105.10 3b5l n GLY 52 Ca -0.16 0.48 -0.15 0.00 0.00 0.00 0.00 46.02 46.19 3b5l n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3b5l s TRP 53 N 0.00 0.41 0.16 1.61 0.51 0.35 -1.61 118.94 120.37 3b5l s TRP 53 Ca 0.00 -0.08 0.20 0.00 -2.12 0.00 0.00 56.10 54.10 3b5l s TRP 53 Cb 0.00 -0.26 0.75 0.00 -0.81 0.00 0.00 33.47 33.14 3b5l s TRP 53 CO 0.00 -0.01 1.76 0.66 -0.51 0.00 0.00 176.95 178.85 3b5l h SER 54 N 6.02 0.00 -3.25 2.95 4.64 -1.90 -0.61 113.55 121.40 3b5l h SER 54 Ca -0.27 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.42 3b5l h SER 54 Cb 1.19 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.92 3b5l h SER 54 CO 0.50 0.33 -0.83 -0.89 -0.87 0.00 0.00 176.83 175.07 3b5l s THR 55 N -3.62 1.75 0.81 2.95 2.01 -1.26 -2.70 115.64 115.57 3b5l s THR 55 Ca 0.00 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 3b5l s THR 55 Cb 0.11 -1.69 0.08 0.00 0.01 0.00 0.00 72.50 71.00 3b5l s THR 55 CO 0.67 0.36 1.15 -0.83 -0.69 0.00 0.00 174.62 175.27 3b5l s GLY 56 N 1.39 1.60 0.00 4.40 0.00 0.17 -4.84 107.32 110.04 3b5l s GLY 56 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.23 3b5l s GLY 56 CO -0.10 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.57 3b5l n GLY 57 N -2.88 1.39 2.25 0.20 0.00 -1.26 -4.76 105.19 100.12 3b5l n GLY 57 Ca 0.07 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 3b5l n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b5l n ARG 58 N 0.00 2.35 -2.50 1.61 1.74 -1.26 -4.79 116.66 113.81 3b5l n ARG 58 Ca 0.00 -1.76 -0.37 0.00 -0.77 0.00 0.00 57.85 54.95 3b5l n ARG 58 Cb 0.00 -2.12 -0.04 0.00 -1.02 0.00 0.00 32.46 29.28 3b5l n ARG 58 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3b5l s ARG 59 N -0.28 4.19 -0.26 5.56 0.52 -1.26 -4.42 118.95 123.00 3b5l s ARG 59 Ca 0.63 1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 57.30 3b5l s ARG 59 Cb 0.34 -2.62 -0.05 0.00 0.52 0.00 0.00 34.95 33.14 3b5l s ARG 59 CO -0.11 -0.13 0.24 0.99 0.02 0.00 0.00 175.30 176.30 3b5l s THR 60 N -1.58 5.29 0.10 0.02 2.01 -1.26 -2.36 115.64 117.85 3b5l s THR 60 Ca 0.56 0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.96 3b5l s THR 60 Cb -0.24 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3b5l s THR 60 CO 0.30 0.26 -0.23 0.68 -0.69 0.00 0.00 174.62 174.94 3b5l s VAL 61 N 1.56 1.92 -0.06 3.82 -7.23 -0.52 -0.98 120.40 118.92 3b5l s VAL 61 Ca 0.10 -1.57 0.05 0.00 -1.81 0.00 0.00 61.98 58.75 3b5l s VAL 61 Cb -0.15 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 3b5l s VAL 61 CO 0.09 0.05 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.82 3b5l s THR 62 N -1.06 1.82 0.10 5.32 2.01 -0.00 0.17 115.64 123.99 3b5l s THR 62 Ca 0.09 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.19 3b5l s THR 62 Cb -0.10 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3b5l s THR 62 CO 0.04 0.51 -0.07 -0.72 -0.69 0.00 0.00 174.62 173.70 3b5l s TYR 63 N -0.02 0.89 -0.02 4.92 -0.85 0.09 -1.33 117.35 121.04 3b5l s TYR 63 Ca -0.06 -0.91 -0.00 0.00 -0.52 0.00 0.00 57.07 55.58 3b5l s TYR 63 Cb -0.14 -0.52 0.02 0.00 0.38 0.00 0.00 41.96 41.71 3b5l s TYR 63 CO 0.04 -0.15 0.04 1.21 -1.52 0.00 0.00 175.55 175.17 3b5l s ASN 64 N -3.04 0.02 0.01 -0.18 2.47 -0.39 -1.37 114.94 112.46 3b5l s ASN 64 Ca 0.12 0.06 -0.02 0.00 0.42 0.00 0.00 52.86 53.44 3b5l s ASN 64 Cb 0.05 -0.01 -0.01 0.00 -1.45 0.00 0.00 41.25 39.83 3b5l s ASN 64 CO -0.05 -0.09 0.03 0.00 -3.72 0.00 0.00 177.10 173.27 3b5l s ALA 65 N 0.74 -0.05 -0.20 1.71 0.00 0.93 -0.92 121.76 123.97 3b5l s ALA 65 Ca -0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 3b5l s ALA 65 Cb -0.09 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3b5l s ALA 65 CO -0.02 -0.15 -0.00 0.45 0.00 0.00 0.00 175.76 176.04 3b5l s SER 66 N -1.17 4.83 -0.17 0.00 0.15 0.65 -4.74 113.70 113.24 3b5l s SER 66 Ca -0.13 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 3b5l s SER 66 Cb -0.08 -1.82 0.05 0.00 -1.71 0.00 0.00 66.02 62.46 3b5l s SER 66 CO -0.00 0.07 0.01 0.12 1.20 0.00 0.00 173.24 174.64 3b5l s PHE 67 N 0.95 1.21 -0.51 3.44 5.36 -1.26 -0.83 117.98 126.33 3b5l s PHE 67 Ca 0.01 -0.87 0.07 0.00 -0.96 0.00 0.00 56.93 55.18 3b5l s PHE 67 Cb -0.14 -1.09 0.25 0.00 -0.34 0.00 0.00 43.02 41.70 3b5l s PHE 67 CO 0.02 -0.58 0.63 0.09 -1.46 0.00 0.00 175.22 173.91 3b5l n ASN 68 N 5.00 1.85 -4.80 6.13 3.02 -0.08 -5.03 115.26 121.35 3b5l n ASN 68 Ca -0.09 -3.04 -0.35 0.00 -0.03 0.00 0.00 54.58 51.06 3b5l n ASN 68 Cb 0.47 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.92 3b5l n ASN 68 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3b5l s PRO 69 N -1.79 4.42 0.00 3.52 0.04 -1.26 -2.50 135.00 137.42 3b5l s PRO 69 Ca 0.37 1.21 0.18 0.00 0.04 0.00 0.00 61.00 62.80 3b5l s PRO 69 Cb 0.16 -2.57 -0.19 0.00 0.04 0.00 0.00 34.50 31.94 3b5l s PRO 69 CO -0.06 0.17 0.76 -1.13 0.04 0.00 0.00 177.00 176.78 3b5l n SER 70 N 0.10 0.86 0.00 6.66 3.41 -0.24 -4.94 113.62 119.47 3b5l n SER 70 Ca 0.04 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 3b5l n SER 70 Cb 0.52 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 3b5l n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b5l n GLY 71 N 1.42 5.06 3.52 5.00 0.00 -1.26 -4.86 105.19 114.07 3b5l n GLY 71 Ca 0.03 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 3b5l n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b5l s ILE 72 N 2.37 4.28 0.08 -0.61 1.01 -1.26 -1.48 121.20 125.59 3b5l s ILE 72 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.76 3b5l s ILE 72 Cb 0.00 -4.62 0.01 0.00 0.01 0.00 0.00 42.46 37.86 3b5l s ILE 72 CO 0.00 -1.27 0.26 0.00 0.00 0.00 0.00 174.94 173.93 3b5l s ALA 73 N 4.23 -0.51 0.05 9.38 0.00 -1.26 -1.21 121.76 132.44 3b5l s ALA 73 Ca 0.30 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.02 3b5l s ALA 73 Cb -0.13 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 3b5l s ALA 73 CO 0.18 -0.49 -0.13 0.71 0.00 0.00 0.00 175.76 176.03 3b5l s TYR 74 N -3.29 1.14 -0.25 0.00 4.12 0.14 -1.51 117.35 117.69 3b5l s TYR 74 Ca 0.00 -0.40 -0.07 0.00 0.02 0.00 0.00 57.07 56.63 3b5l s TYR 74 Cb 0.02 -0.66 -0.02 0.00 -1.52 0.00 0.00 41.96 39.78 3b5l s TYR 74 CO -0.08 0.03 0.06 -1.17 0.02 0.00 0.00 175.55 174.41 3b5l s LEU 75 N -1.37 3.45 -0.24 -1.29 2.96 -0.06 -1.76 118.68 120.37 3b5l s LEU 75 Ca -0.01 -0.29 -0.21 0.00 -0.22 0.00 0.00 54.13 53.40 3b5l s LEU 75 Cb -0.09 -1.90 0.06 0.00 0.50 0.00 0.00 46.19 44.76 3b5l s LEU 75 CO 0.01 -0.06 0.63 0.28 -1.32 0.00 0.00 176.35 175.90 3b5l s THR 76 N 1.59 -0.00 -0.33 3.68 -1.32 -0.53 -0.94 115.64 117.79 3b5l s THR 76 Ca 0.06 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.25 3b5l s THR 76 Cb -0.15 -0.88 0.01 0.00 -1.51 0.00 0.00 72.50 69.96 3b5l s THR 76 CO 0.03 0.00 1.27 -0.22 -2.21 0.00 0.00 174.62 173.49 3b5l s LEU 77 N 0.50 3.84 -0.03 9.08 1.98 -0.29 0.35 118.68 134.11 3b5l s LEU 77 Ca -0.01 1.10 0.05 0.00 -2.89 0.00 0.00 54.13 52.38 3b5l s LEU 77 Cb -0.05 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.25 3b5l s LEU 77 CO -0.02 -1.10 -0.20 -0.47 -1.89 0.00 0.00 176.35 172.68 3b5l s TYR 78 N 4.39 1.84 0.30 5.38 6.14 0.68 -0.29 117.35 135.79 3b5l s TYR 78 Ca 0.55 -0.44 -0.17 0.00 0.64 0.00 0.00 57.07 57.65 3b5l s TYR 78 Cb -0.15 -1.21 0.02 0.00 0.42 0.00 0.00 41.96 41.04 3b5l s TYR 78 CO 0.24 -0.10 0.66 0.20 0.64 0.00 0.00 175.55 177.18 3b5l s GLY 79 N -0.24 0.27 0.08 8.97 0.00 -0.52 -0.44 107.32 115.44 3b5l s GLY 79 Ca 0.02 -0.62 0.06 0.00 0.00 0.00 0.00 44.72 44.17 3b5l s GLY 79 CO 0.01 -0.33 -0.16 -0.98 0.00 0.00 0.00 173.10 171.64 3b5l s TRP 80 N -3.54 1.37 0.22 1.90 0.52 -0.66 -1.19 118.94 117.56 3b5l s TRP 80 Ca 0.16 -0.46 0.06 0.00 0.02 0.00 0.00 56.10 55.89 3b5l s TRP 80 Cb -0.04 -0.76 -0.05 0.00 -1.15 0.00 0.00 33.47 31.47 3b5l s TRP 80 CO 0.09 0.10 -0.09 0.95 0.02 0.00 0.00 176.95 178.02 3b5l s THR 81 N -1.30 1.50 0.18 2.01 -4.23 0.41 -0.39 115.64 113.82 3b5l s THR 81 Ca 0.01 -2.14 0.11 0.00 -1.18 0.00 0.00 61.69 58.49 3b5l s THR 81 Cb -0.10 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 3b5l s THR 81 CO 0.03 -0.51 -0.24 -0.13 -0.54 0.00 0.00 174.62 173.23 3b5l s ARG 82 N -3.72 1.46 -0.92 3.99 0.52 0.45 -2.02 118.95 118.72 3b5l s ARG 82 Ca 0.24 -1.47 -0.08 0.00 -0.52 0.00 0.00 55.73 53.90 3b5l s ARG 82 Cb 0.02 -1.78 -0.01 0.00 0.52 0.00 0.00 34.95 33.70 3b5l s ARG 82 CO 0.07 0.39 0.71 0.09 0.02 0.00 0.00 175.30 176.59 3b5l n ASN 83 N 0.40 -6.01 -4.87 0.23 4.13 -1.26 0.03 115.26 107.90 3b5l n ASN 83 Ca -0.14 -0.70 -0.30 0.00 1.68 0.00 0.00 54.58 55.12 3b5l n ASN 83 Cb 0.56 -3.54 -0.02 0.00 -1.54 0.00 0.00 39.78 35.24 3b5l n ASN 83 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3b5l s PRO 84 N -4.70 3.73 -0.25 3.52 0.04 -1.26 -4.10 135.00 131.98 3b5l s PRO 84 Ca 0.19 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 3b5l s PRO 84 Cb -0.06 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 3b5l s PRO 84 CO 0.83 -0.24 1.59 -1.17 0.04 0.00 0.00 177.00 178.06 3b5l s LEU 85 N -4.36 3.82 -0.01 -3.56 2.96 -1.26 -3.98 118.68 112.30 3b5l s LEU 85 Ca 0.53 1.49 0.01 0.00 -0.22 0.00 0.00 54.13 55.93 3b5l s LEU 85 Cb -0.10 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3b5l s LEU 85 CO 0.39 -1.31 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.41 3b5l s VAL 86 N 5.33 0.15 -0.14 1.68 1.01 -0.86 -3.79 120.40 123.80 3b5l s VAL 86 Ca 0.70 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3b5l s VAL 86 Cb -0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 3b5l s VAL 86 CO 0.29 0.07 0.01 -0.55 0.00 0.00 0.00 175.10 174.92 3b5l s SER 87 N 0.21 5.21 0.06 3.32 0.15 -0.81 -0.45 113.70 121.40 3b5l s SER 87 Ca -0.02 0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.74 3b5l s SER 87 Cb -0.04 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 3b5l s SER 87 CO -0.01 0.25 -0.19 -0.72 1.20 0.00 0.00 173.24 173.77 3b5l s TYR 88 N -0.11 1.69 -0.06 3.44 1.13 -0.34 -0.91 117.35 122.19 3b5l s TYR 88 Ca 0.04 -0.39 -0.01 0.00 -1.41 0.00 0.00 57.07 55.30 3b5l s TYR 88 Cb -0.13 -0.98 0.03 0.00 -1.10 0.00 0.00 41.96 39.78 3b5l s TYR 88 CO 0.02 0.11 0.02 -0.51 -2.51 0.00 0.00 175.55 172.68 3b5l s LEU 89 N -1.38 0.47 -0.51 -3.49 1.02 0.01 -1.44 118.68 113.35 3b5l s LEU 89 Ca 0.06 -0.03 -0.17 0.00 0.02 0.00 0.00 54.13 54.00 3b5l s LEU 89 Cb -0.09 -0.35 0.08 0.00 0.02 0.00 0.00 46.19 45.85 3b5l s LEU 89 CO 0.02 -0.21 0.53 -0.63 0.02 0.00 0.00 176.35 176.09 3b5l s ILE 90 N 2.01 5.05 -0.35 -0.59 1.01 0.60 -0.82 121.20 128.10 3b5l s ILE 90 Ca 0.05 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 3b5l s ILE 90 Cb -0.12 -4.27 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 3b5l s ILE 90 CO -0.04 -0.78 0.55 -0.69 0.00 0.00 0.00 174.94 173.97 3b5l s VAL 91 N 2.11 4.98 -0.12 2.92 1.01 0.28 -1.14 120.40 130.44 3b5l s VAL 91 Ca 0.08 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.48 3b5l s VAL 91 Cb -0.24 -4.00 -0.24 0.00 0.00 0.00 0.00 36.38 31.90 3b5l s VAL 91 CO 0.08 -0.25 0.38 -0.62 0.00 0.00 0.00 175.10 174.68 3b5l n GLU 92 N 5.83 0.71 -3.81 2.72 -0.58 -0.11 -1.41 120.64 123.98 3b5l n GLU 92 Ca -0.04 0.25 -0.09 0.00 -0.42 0.00 0.00 57.16 56.86 3b5l n GLU 92 Cb 0.49 -1.70 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 3b5l n GLU 92 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3b5l s SER 93 N -6.63 0.01 0.24 1.62 0.15 -1.05 -1.22 113.70 106.83 3b5l s SER 93 Ca -0.18 -0.60 -0.08 0.00 0.70 0.00 0.00 55.95 55.79 3b5l s SER 93 Cb 0.07 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 3b5l s SER 93 CO 0.77 -0.79 0.38 -1.66 1.20 0.00 0.00 173.24 173.14 3b5l s TRP 94 N -3.86 0.67 0.00 3.44 -2.14 -1.26 -0.88 118.94 114.91 3b5l s TRP 94 Ca 0.06 -0.98 0.00 0.00 2.66 0.00 0.00 56.10 57.84 3b5l s TRP 94 Cb 0.04 -0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.35 3b5l s TRP 94 CO -0.09 -0.91 0.00 0.41 -2.66 0.00 0.00 176.95 173.70 3b5l n GLY 95 N -0.37 0.52 0.00 3.67 0.00 -0.57 -4.93 105.19 103.51 3b5l n GLY 95 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3b5l n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3b5l n THR 96 N 0.00 0.10 -3.85 2.61 -2.24 -0.55 -4.68 114.28 105.67 3b5l n THR 96 Ca 0.00 0.01 -0.26 0.00 -2.27 0.00 0.00 64.05 61.53 3b5l n THR 96 Cb 0.00 -0.54 -0.17 0.00 -2.10 0.00 0.00 70.33 67.52 3b5l n THR 96 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3b5l s TYR 97 N -3.00 1.21 -0.14 4.78 5.04 -1.26 -4.98 117.35 118.99 3b5l s TYR 97 Ca 0.13 -0.57 -0.22 0.00 -2.44 0.00 0.00 57.07 53.97 3b5l s TYR 97 Cb 0.18 -1.09 -0.03 0.00 0.35 0.00 0.00 41.96 41.37 3b5l s TYR 97 CO 0.51 -0.46 0.67 0.50 -1.34 0.00 0.00 175.55 175.43 3b5l s ARG 98 N 1.80 4.32 0.39 4.97 3.52 -1.26 -4.83 118.95 127.86 3b5l s ARG 98 Ca 0.05 0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 56.13 3b5l s ARG 98 Cb -0.13 -3.51 -0.11 0.00 -1.56 0.00 0.00 34.95 29.64 3b5l s ARG 98 CO -0.07 -0.10 1.33 -2.30 -0.81 0.00 0.00 175.30 173.35 3b5l n PRO 99 N 4.46 2.15 -4.13 5.12 -0.02 -1.26 -5.02 135.00 136.31 3b5l n PRO 99 Ca -0.01 0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3b5l n PRO 99 Cb 0.50 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3b5l n PRO 99 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3b5l s THR 100 N -1.15 0.00 -2.11 3.45 -1.32 -1.26 -5.02 115.64 108.23 3b5l s THR 100 Ca 0.58 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.30 3b5l s THR 100 Cb -0.51 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 3b5l s THR 100 CO 0.60 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.62 3b5l n GLY 101 N -0.35 -0.65 3.61 6.08 0.00 -1.26 -4.93 105.19 107.69 3b5l n GLY 101 Ca 0.01 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 3b5l n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b5l s THR 102 N -3.77 3.75 -0.02 2.61 2.01 -0.74 -4.85 115.64 114.63 3b5l s THR 102 Ca 0.00 0.78 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 3b5l s THR 102 Cb 0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 3b5l s THR 102 CO 0.00 -0.55 1.06 -0.47 -0.69 0.00 0.00 174.62 173.98 3b5l s TYR 103 N 5.78 3.52 -0.12 4.92 5.04 -1.26 -1.23 117.35 134.00 3b5l s TYR 103 Ca 0.69 1.52 0.15 0.00 -2.44 0.00 0.00 57.07 56.99 3b5l s TYR 103 Cb -0.19 -3.24 0.35 0.00 0.35 0.00 0.00 41.96 39.23 3b5l s TYR 103 CO 0.32 -0.52 1.17 1.63 -1.34 0.00 0.00 175.55 176.81 3b5l n LYS 104 N 4.32 1.00 0.00 4.97 5.02 0.22 -4.99 118.16 128.70 3b5l n LYS 104 Ca 0.08 -2.62 0.00 0.00 -2.02 0.00 0.00 58.31 53.75 3b5l n LYS 104 Cb 0.49 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 3b5l n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b5l n GLY 105 N -0.71 -1.34 3.33 0.72 0.00 -1.26 -4.86 105.19 101.08 3b5l n GLY 105 Ca 0.13 -2.08 -0.18 0.00 0.00 0.00 0.00 46.02 43.90 3b5l n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b5l s THR 106 N 0.00 1.66 -0.05 2.61 -4.23 -1.26 -0.43 115.64 113.95 3b5l s THR 106 Ca 0.00 -2.19 0.02 0.00 -1.18 0.00 0.00 61.69 58.34 3b5l s THR 106 Cb 0.00 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.82 3b5l s THR 106 CO 0.00 -0.61 -0.09 0.54 -0.54 0.00 0.00 174.62 173.92 3b5l s VAL 107 N -3.02 0.86 -0.23 2.29 0.11 -0.48 -4.95 120.40 114.98 3b5l s VAL 107 Ca 0.22 -0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 58.83 3b5l s VAL 107 Cb -0.00 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 3b5l s VAL 107 CO 0.06 0.28 0.11 -0.89 -3.33 0.00 0.00 175.10 171.34 3b5l s THR 108 N 0.55 4.89 -0.27 5.04 2.01 -1.26 -0.24 115.64 126.36 3b5l s THR 108 Ca -0.10 0.02 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 3b5l s THR 108 Cb -0.13 -3.27 0.12 0.00 0.01 0.00 0.00 72.50 69.23 3b5l s THR 108 CO 0.02 0.36 1.00 0.28 -0.69 0.00 0.00 174.62 175.59 3b5l s THR 109 N 1.10 0.00 -1.24 -0.82 -1.32 -0.13 -5.00 115.64 108.24 3b5l s THR 109 Ca 0.06 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 3b5l s THR 109 Cb -0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 3b5l s THR 109 CO 0.04 0.00 0.95 0.47 -2.21 0.00 0.00 174.62 173.88 3b5l n ASP 110 N 2.08 -2.22 0.00 8.08 8.00 -1.26 -2.78 116.55 128.45 3b5l n ASP 110 Ca -0.12 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3b5l n ASP 110 Cb 0.56 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.76 3b5l n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b5l n GLY 111 N -1.29 0.33 3.58 0.44 0.00 -1.26 -4.92 105.19 102.08 3b5l n GLY 111 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 3b5l n GLY 111 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b5l s GLY 112 N -2.00 1.03 -0.03 -0.02 0.00 -1.12 -5.16 107.32 100.02 3b5l s GLY 112 Ca 0.00 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 43.59 3b5l s GLY 112 CO 0.00 -0.76 -0.24 -1.59 0.00 0.00 0.00 173.10 170.51 3b5l s THR 113 N -3.09 2.20 -0.07 0.90 2.01 -1.26 -0.95 115.64 115.37 3b5l s THR 113 Ca 0.25 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.26 3b5l s THR 113 Cb -0.02 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 3b5l s THR 113 CO 0.16 0.58 -0.23 -0.31 -0.69 0.00 0.00 174.62 174.13 3b5l s TYR 114 N -0.55 2.52 0.19 4.92 2.02 0.67 -0.83 117.35 126.29 3b5l s TYR 114 Ca 0.08 -0.70 -0.30 0.00 -0.37 0.00 0.00 57.07 55.78 3b5l s TYR 114 Cb -0.11 -1.64 -0.08 0.00 -0.40 0.00 0.00 41.96 39.73 3b5l s TYR 114 CO -0.00 -0.20 0.99 -0.51 -1.57 0.00 0.00 175.55 174.26 3b5l s ASP 115 N -0.10 7.49 -0.21 2.29 1.01 0.35 -1.38 116.67 126.12 3b5l s ASP 115 Ca -0.05 1.96 -0.08 0.00 0.71 0.00 0.00 52.55 55.09 3b5l s ASP 115 Cb -0.14 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 3b5l s ASP 115 CO 0.04 -0.01 0.09 -0.63 0.21 0.00 0.00 175.17 174.87 3b5l s ILE 116 N -0.63 4.83 0.07 0.77 1.01 0.43 -0.74 121.20 126.94 3b5l s ILE 116 Ca 0.45 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 61.14 3b5l s ILE 116 Cb -0.26 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 3b5l s ILE 116 CO 0.33 0.40 -0.14 -0.31 0.00 0.00 0.00 174.94 175.22 3b5l s TYR 117 N 0.84 1.18 -0.07 3.97 1.51 -0.77 -0.61 117.35 123.39 3b5l s TYR 117 Ca 0.05 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 3b5l s TYR 117 Cb -0.13 -0.67 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 3b5l s TYR 117 CO 0.02 0.05 -0.19 -2.00 -1.11 0.00 0.00 175.55 172.32 3b5l s GLU 118 N -1.66 2.76 0.30 -0.62 2.12 -0.36 -0.09 118.70 121.16 3b5l s GLU 118 Ca -0.02 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.55 3b5l s GLU 118 Cb -0.10 -2.35 -0.06 0.00 0.26 0.00 0.00 34.13 31.89 3b5l s GLU 118 CO 0.02 0.41 0.08 0.95 -0.54 0.00 0.00 175.26 176.18 3b5l s THR 119 N -0.19 0.87 0.07 -1.70 -4.23 -0.42 -1.79 115.64 108.26 3b5l s THR 119 Ca -0.01 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.59 3b5l s THR 119 Cb -0.13 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 3b5l s THR 119 CO 0.03 0.00 -0.26 0.26 -0.54 0.00 0.00 174.62 174.12 3b5l s TRP 120 N -3.48 2.22 -0.10 3.99 0.52 -1.26 -0.27 118.94 120.56 3b5l s TRP 120 Ca 0.36 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 56.12 3b5l s TRP 120 Cb 0.08 -1.29 -0.00 0.00 -1.15 0.00 0.00 33.47 31.11 3b5l s TRP 120 CO 0.15 0.19 -0.24 0.50 0.02 0.00 0.00 176.95 177.57 3b5l s ARG 121 N -1.51 3.04 -0.18 4.98 6.06 0.14 -4.93 118.95 126.56 3b5l s ARG 121 Ca 0.12 -0.87 -0.04 0.00 -2.50 0.00 0.00 55.73 52.44 3b5l s ARG 121 Cb -0.10 -2.31 -0.02 0.00 0.06 0.00 0.00 34.95 32.58 3b5l s ARG 121 CO 0.03 0.19 -0.04 0.71 -2.50 0.00 0.00 175.30 173.69 3b5l s TYR 122 N 0.32 2.98 -1.38 5.12 1.51 -1.26 -0.97 117.35 123.67 3b5l s TYR 122 Ca -0.18 -0.52 -0.12 0.00 -1.01 0.00 0.00 57.07 55.24 3b5l s TYR 122 Cb -0.18 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.68 3b5l s TYR 122 CO 0.09 -0.22 0.38 0.09 -1.11 0.00 0.00 175.55 174.77 3b5l n ASN 123 N 3.99 -1.44 -4.59 2.29 3.02 -1.01 -4.89 115.26 112.64 3b5l n ASN 123 Ca -0.18 -1.19 -0.24 0.00 -0.03 0.00 0.00 54.58 52.94 3b5l n ASN 123 Cb 0.52 -2.16 -0.09 0.00 -0.61 0.00 0.00 39.78 37.44 3b5l n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b5l s ALA 124 N -3.95 3.05 0.38 5.41 0.00 0.62 -4.65 121.76 122.62 3b5l s ALA 124 Ca 0.19 -1.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.05 3b5l s ALA 124 Cb -0.09 -0.48 -0.10 0.00 0.00 0.00 0.00 23.12 22.44 3b5l s ALA 124 CO 0.95 0.21 1.45 -2.14 0.00 0.00 0.00 175.76 176.23 3b5l s PRO 125 N -3.64 4.06 0.33 0.00 0.02 -1.26 -0.96 135.00 133.56 3b5l s PRO 125 Ca 0.32 2.49 -0.10 0.00 0.02 0.00 0.00 61.00 63.73 3b5l s PRO 125 Cb -0.04 -2.92 0.02 0.00 0.02 0.00 0.00 34.50 31.58 3b5l s PRO 125 CO 0.18 -0.54 0.59 -1.54 -0.33 0.00 0.00 177.00 175.36 3b5l s SER 126 N -0.26 0.33 0.00 2.53 1.04 -0.85 -4.87 113.70 111.62 3b5l s SER 126 Ca 0.54 -1.20 0.15 0.00 0.48 0.00 0.00 55.95 55.92 3b5l s SER 126 Cb -0.45 0.71 0.74 0.00 0.10 0.00 0.00 66.02 67.12 3b5l s SER 126 CO 0.60 -1.39 1.44 2.30 0.98 0.00 0.00 173.24 177.17 3b5l n ILE 127 N -0.51 0.66 -0.27 -1.02 -5.35 -1.26 -2.09 119.36 109.52 3b5l n ILE 127 Ca -0.03 0.16 0.04 0.00 -0.27 0.00 0.00 62.75 62.66 3b5l n ILE 127 Cb 0.61 -0.91 0.12 0.00 -1.74 0.00 0.00 39.64 37.71 3b5l n ILE 127 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3b5l n GLU 128 N -1.33 2.82 0.00 6.28 1.02 -1.26 -5.11 120.64 123.06 3b5l n GLU 128 Ca 0.06 -2.00 0.00 0.00 -0.02 0.00 0.00 57.16 55.20 3b5l n GLU 128 Cb 0.13 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3b5l n GLU 128 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b5l n GLY 129 N -0.03 -1.79 3.62 0.62 0.00 -0.89 -4.87 105.19 101.86 3b5l n GLY 129 Ca 0.09 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 3b5l n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b5l s THR 130 N 0.00 3.58 0.07 2.61 2.01 -1.26 -2.01 115.64 120.64 3b5l s THR 130 Ca 0.00 0.64 -0.06 0.00 0.31 0.00 0.00 61.69 62.58 3b5l s THR 130 Cb 0.00 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 3b5l s THR 130 CO 0.00 -0.30 0.11 -0.13 -0.69 0.00 0.00 174.62 173.61 3b5l s ARG 131 N 4.98 0.72 -0.17 4.92 1.81 -0.14 -4.80 118.95 126.27 3b5l s ARG 131 Ca 0.76 -0.97 -0.07 0.00 -1.72 0.00 0.00 55.73 53.72 3b5l s ARG 131 Cb -0.25 0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.49 3b5l s ARG 131 CO 0.31 -0.20 0.08 0.99 -0.68 0.00 0.00 175.30 175.81 3b5l s THR 132 N -3.57 4.98 0.18 0.02 2.01 -1.26 -0.28 115.64 117.72 3b5l s THR 132 Ca 0.03 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.83 3b5l s THR 132 Cb 0.04 -3.23 0.06 0.00 0.01 0.00 0.00 72.50 69.38 3b5l s THR 132 CO -0.09 0.49 0.68 0.72 -0.69 0.00 0.00 174.62 175.73 3b5l s PHE 133 N 0.09 -0.40 0.35 4.92 -0.71 -0.15 -4.94 117.98 117.13 3b5l s PHE 133 Ca 0.06 0.12 -0.21 0.00 -1.04 0.00 0.00 56.93 55.86 3b5l s PHE 133 Cb -0.12 0.61 -0.10 0.00 -1.21 0.00 0.00 43.02 42.20 3b5l s PHE 133 CO 0.00 -0.94 0.88 -0.65 -1.34 0.00 0.00 175.22 173.17 3b5l s GLN 134 N -3.72 4.30 -0.15 1.99 -0.21 -1.25 -0.68 119.66 119.94 3b5l s GLN 134 Ca 0.05 1.07 0.02 0.00 0.02 0.00 0.00 55.36 56.51 3b5l s GLN 134 Cb -0.02 -2.52 0.01 0.00 1.00 0.00 0.00 33.01 31.48 3b5l s GLN 134 CO -0.06 0.16 -0.21 0.42 -2.12 0.00 0.00 175.29 173.49 3b5l s ILE 135 N -1.87 2.14 -0.20 1.08 1.01 0.62 -1.93 121.20 122.05 3b5l s ILE 135 Ca 0.54 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 3b5l s ILE 135 Cb -0.13 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 3b5l s ILE 135 CO 0.18 0.54 0.14 -0.36 0.00 0.00 0.00 174.94 175.45 3b5l s PHE 136 N 0.93 3.41 -0.03 3.97 2.99 -0.09 -1.30 117.98 127.85 3b5l s PHE 136 Ca -0.04 0.34 0.07 0.00 0.00 0.00 0.00 56.93 57.30 3b5l s PHE 136 Cb -0.15 -2.18 -0.02 0.00 0.00 0.00 0.00 43.02 40.67 3b5l s PHE 136 CO -0.04 0.27 -0.24 -1.58 -0.00 0.00 0.00 175.22 173.63 3b5l s TRP 137 N 0.42 2.41 -0.17 0.36 0.52 0.88 -0.81 118.94 122.54 3b5l s TRP 137 Ca 0.09 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 55.78 3b5l s TRP 137 Cb -0.11 -1.54 0.03 0.00 -1.15 0.00 0.00 33.47 30.70 3b5l s TRP 137 CO -0.01 -0.03 -0.14 -1.12 0.02 0.00 0.00 176.95 175.67 3b5l s SER 138 N -0.56 2.98 -0.22 2.95 0.01 -0.00 -1.86 113.70 117.00 3b5l s SER 138 Ca 0.08 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 3b5l s SER 138 Cb -0.11 -1.26 0.02 0.00 0.21 0.00 0.00 66.02 64.88 3b5l s SER 138 CO -0.00 -0.07 -0.11 -0.69 0.41 0.00 0.00 173.24 172.78 3b5l s VAL 139 N 1.42 2.63 0.39 3.43 1.01 0.08 0.98 120.40 130.34 3b5l s VAL 139 Ca 0.03 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 3b5l s VAL 139 Cb -0.14 -2.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.90 3b5l s VAL 139 CO -0.10 0.35 1.44 -0.60 0.00 0.00 0.00 175.10 176.18 3b5l s ARG 140 N 1.33 4.01 0.48 2.72 3.52 -0.50 -0.50 118.95 130.01 3b5l s ARG 140 Ca 0.02 2.46 0.27 0.00 -0.13 0.00 0.00 55.73 58.36 3b5l s ARG 140 Cb -0.15 -2.88 0.98 0.00 -1.56 0.00 0.00 34.95 31.34 3b5l s ARG 140 CO -0.07 -0.57 1.84 1.96 -0.81 0.00 0.00 175.30 177.64 3b5l h GLN 141 N 2.83 0.00 -5.18 5.12 4.20 -1.34 -3.42 115.11 117.32 3b5l h GLN 141 Ca -0.51 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 57.73 3b5l h GLN 141 Cb 1.25 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.73 3b5l h GLN 141 CO 0.63 0.11 -0.81 -0.65 -0.67 0.00 0.00 178.83 177.45 3b5l s GLN 142 N -3.56 1.10 0.49 1.46 -0.21 -1.26 -5.11 119.66 112.57 3b5l s GLN 142 Ca 0.02 -0.47 -0.23 0.00 0.02 0.00 0.00 55.36 54.70 3b5l s GLN 142 Cb 0.09 -1.06 -0.07 0.00 1.00 0.00 0.00 33.01 32.97 3b5l s GLN 142 CO 0.61 0.28 1.27 0.15 -2.12 0.00 0.00 175.29 175.48 3b5l s LYS 143 N -0.28 3.53 0.08 2.91 1.02 -1.26 -4.94 119.74 120.80 3b5l s LYS 143 Ca 0.04 2.04 -0.11 0.00 0.02 0.00 0.00 55.97 57.97 3b5l s LYS 143 Cb -0.06 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3b5l s LYS 143 CO -0.00 -0.82 0.24 -0.98 -0.92 0.00 0.00 175.35 172.87 3b5l s ARG 144 N -2.71 0.86 -0.02 1.68 1.70 -0.36 -5.01 118.95 115.09 3b5l s ARG 144 Ca 0.66 -0.82 0.04 0.00 -0.47 0.00 0.00 55.73 55.13 3b5l s ARG 144 Cb -0.35 0.36 0.05 0.00 -0.57 0.00 0.00 34.95 34.44 3b5l s ARG 144 CO 0.43 -0.29 0.96 0.25 -1.08 0.00 0.00 175.30 175.57 3b5l n THR 145 N 0.07 0.98 -3.56 4.99 -2.24 -1.26 -4.00 114.28 109.25 3b5l n THR 145 Ca -0.16 -1.05 -0.15 0.00 -2.27 0.00 0.00 64.05 60.42 3b5l n THR 145 Cb 0.62 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 3b5l n THR 145 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3b5l s SER 146 N -1.21 -0.51 0.00 3.42 1.04 -1.26 -0.05 113.70 115.13 3b5l s SER 146 Ca 0.06 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.86 3b5l s SER 146 Cb 0.05 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3b5l s SER 146 CO 0.01 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3b5l n GLY 147 N 0.64 0.63 3.54 7.32 0.00 -0.47 -5.00 105.19 111.85 3b5l n GLY 147 Ca -0.19 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 3b5l n GLY 147 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b5l s THR 148 N -2.85 3.71 -0.23 2.61 2.01 -1.26 -0.73 115.64 118.89 3b5l s THR 148 Ca 0.00 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 3b5l s THR 148 Cb 0.00 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.98 3b5l s THR 148 CO 0.00 0.56 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.78 3b5l s ILE 149 N -0.40 2.74 -1.04 1.82 1.01 0.13 -4.78 121.20 120.69 3b5l s ILE 149 Ca 0.06 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3b5l s ILE 149 Cb -0.12 -2.35 0.16 0.00 0.01 0.00 0.00 42.46 40.16 3b5l s ILE 149 CO 0.02 0.28 1.22 -0.89 0.00 0.00 0.00 174.94 175.57 3b5l s THR 150 N 1.32 4.94 0.33 2.92 2.01 -1.26 -1.44 115.64 124.46 3b5l s THR 150 Ca 0.01 -2.10 0.05 0.00 0.31 0.00 0.00 61.69 59.96 3b5l s THR 150 Cb -0.16 -4.81 0.30 0.00 0.01 0.00 0.00 72.50 67.84 3b5l s THR 150 CO -0.06 -1.51 1.89 0.40 -0.69 0.00 0.00 174.62 174.65 3b5l h ILE 151 N 5.25 0.94 -0.99 1.82 2.04 -1.78 -0.93 117.51 123.86 3b5l h ILE 151 Ca 0.22 -0.29 0.19 0.00 1.00 0.00 0.00 64.86 65.98 3b5l h ILE 151 Cb 0.96 0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 36.97 3b5l h ILE 151 CO 1.14 0.15 0.61 1.23 0.00 0.00 0.00 178.15 181.29 3b5l h GLY 152 N 0.85 1.56 1.56 5.37 0.00 -1.77 -1.44 103.07 109.19 3b5l h GLY 152 Ca 0.42 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 3b5l h GLY 152 CO -0.18 -0.04 -0.21 3.43 0.00 0.00 0.00 176.54 179.54 3b5l h ASN 153 N 0.69 0.52 -0.16 0.19 2.35 -1.56 -1.29 115.58 116.32 3b5l h ASN 153 Ca 0.55 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 56.05 3b5l h ASN 153 Cb 0.96 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 3b5l h ASN 153 CO -0.33 0.73 -0.24 0.45 -1.65 0.00 0.00 177.43 176.39 3b5l h HIS 154 N 0.47 0.56 -0.63 1.19 3.86 -1.37 -2.22 115.15 117.00 3b5l h HIS 154 Ca 0.07 -0.19 0.08 0.00 -1.16 0.00 0.00 60.37 59.18 3b5l h HIS 154 Cb 0.62 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.91 3b5l h HIS 154 CO 0.02 0.87 0.29 0.74 0.86 0.00 0.00 177.93 180.72 3b5l h PHE 155 N 0.08 0.53 -0.34 2.45 0.05 -1.13 -0.88 116.94 117.70 3b5l h PHE 155 Ca 0.02 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.76 3b5l h PHE 155 Cb 0.81 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.61 3b5l h PHE 155 CO 0.09 0.19 -0.09 -0.44 -0.18 0.00 0.00 178.31 177.89 3b5l h ASP 156 N 0.52 0.67 -0.64 2.17 3.32 -1.25 -1.52 116.42 119.69 3b5l h ASP 156 Ca 0.31 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3b5l h ASP 156 Cb 0.31 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3b5l h ASP 156 CO -0.25 0.88 0.25 0.00 -1.72 0.00 0.00 179.24 178.40 3b5l h ALA 157 N 0.81 0.83 -0.26 3.45 0.00 -1.16 -1.49 119.26 121.43 3b5l h ALA 157 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3b5l h ALA 157 Cb 0.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3b5l h ALA 157 CO 0.03 0.45 0.16 -1.49 0.00 0.00 0.00 179.25 178.40 3b5l h TRP 158 N 0.90 0.35 -0.55 0.00 6.55 -1.10 -1.86 115.95 120.23 3b5l h TRP 158 Ca 0.21 -0.00 0.07 0.00 0.95 0.00 0.00 58.89 60.12 3b5l h TRP 158 Cb 0.21 -0.11 -0.06 0.00 -0.86 0.00 0.00 29.16 28.34 3b5l h TRP 158 CO 0.01 0.27 0.24 0.00 -1.05 0.00 0.00 178.44 177.91 3b5l h ALA 159 N 1.05 0.70 0.00 1.49 0.00 -1.08 0.22 119.26 121.64 3b5l h ALA 159 Ca 0.09 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3b5l h ALA 159 Cb 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3b5l h ALA 159 CO -0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 179.25 178.92 3b5l h ARG 160 N 0.45 0.00 -0.07 0.00 3.08 -1.10 -1.16 114.38 115.58 3b5l h ARG 160 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3b5l h ARG 160 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3b5l h ARG 160 CO -0.23 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 178.83 3b5l n ALA 161 N -2.45 2.58 -0.86 0.04 0.00 -0.47 -4.91 120.51 114.44 3b5l n ALA 161 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3b5l n ALA 161 Cb 0.24 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3b5l n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b5l n GLY 162 N 1.02 0.48 3.30 0.00 0.00 -0.44 -5.02 105.19 104.53 3b5l n GLY 162 Ca 0.17 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 3b5l n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3b5l s MET 163 N -1.58 2.85 -0.23 1.61 -1.94 0.64 -4.98 119.30 115.66 3b5l s MET 163 Ca 0.00 -1.64 -0.10 0.00 -1.71 0.00 0.00 55.69 52.25 3b5l s MET 163 Cb 0.00 -4.15 -0.05 0.00 2.01 0.00 0.00 34.83 32.65 3b5l s MET 163 CO 0.00 -1.21 0.13 -0.80 -0.01 0.00 0.00 175.02 173.13 3b5l s ASN 164 N 3.10 5.93 0.33 3.03 0.01 -1.26 -3.09 114.94 122.99 3b5l s ASN 164 Ca 0.04 0.07 -0.08 0.00 -0.71 0.00 0.00 52.86 52.18 3b5l s ASN 164 Cb -0.28 -2.06 -0.06 0.00 0.41 0.00 0.00 41.25 39.26 3b5l s ASN 164 CO 0.03 0.07 0.66 -0.76 -1.51 0.00 0.00 177.10 175.59 3b5l s LEU 165 N 1.00 3.97 0.00 0.60 1.43 -1.26 -4.85 118.68 119.58 3b5l s LEU 165 Ca 0.07 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 3b5l s LEU 165 Cb -0.13 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.30 3b5l s LEU 165 CO 0.04 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.96 3b5l n GLY 166 N -0.96 1.66 3.69 -3.19 0.00 -1.26 -4.75 105.19 100.38 3b5l n GLY 166 Ca 0.01 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 3b5l n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3b5l s SER 167 N -1.00 6.95 0.10 1.61 0.01 0.10 -4.71 113.70 116.76 3b5l s SER 167 Ca 0.00 1.99 -0.31 0.00 1.31 0.00 0.00 55.95 58.94 3b5l s SER 167 Cb 0.00 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 3b5l s SER 167 CO 0.00 -0.64 1.43 -1.00 0.41 0.00 0.00 173.24 173.43 3b5l s HIS 168 N 2.20 3.11 0.00 2.43 0.09 -1.26 -0.41 115.29 121.45 3b5l s HIS 168 Ca 0.60 0.85 0.00 0.00 -0.00 0.00 0.00 55.06 56.52 3b5l s HIS 168 Cb -0.29 -3.73 0.00 0.00 -0.00 0.00 0.00 32.58 28.57 3b5l s HIS 168 CO 0.25 -2.61 0.00 -3.47 -0.00 0.00 0.00 174.74 168.91 3b5l n ASP 169 N 4.26 0.00 -4.76 1.40 2.03 0.48 -4.41 116.55 115.55 3b5l n ASP 169 Ca 0.12 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.13 3b5l n ASP 169 Cb 0.42 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.93 3b5l n ASP 169 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3b5l s TYR 170 N 3.98 2.60 -0.23 -0.67 -0.85 -1.10 0.46 117.35 121.53 3b5l s TYR 170 Ca 0.00 1.25 -0.04 0.00 -0.52 0.00 0.00 57.07 57.76 3b5l s TYR 170 Cb 0.00 -3.12 0.12 0.00 0.38 0.00 0.00 41.96 39.34 3b5l s TYR 170 CO 0.00 -2.02 0.38 -1.14 -1.52 0.00 0.00 175.55 171.26 3b5l s GLN 171 N -5.03 0.34 0.05 -3.49 0.74 -0.24 -1.66 119.66 110.37 3b5l s GLN 171 Ca 0.62 0.63 0.03 0.00 0.05 0.00 0.00 55.36 56.69 3b5l s GLN 171 Cb -0.16 -0.31 -0.02 0.00 1.10 0.00 0.00 33.01 33.61 3b5l s GLN 171 CO 0.56 -0.56 -0.10 0.96 -0.55 0.00 0.00 175.29 175.60 3b5l s ILE 172 N 2.56 0.70 -0.62 -2.34 -4.36 0.42 -0.49 121.20 117.06 3b5l s ILE 172 Ca 0.10 -1.09 -0.25 0.00 -0.26 0.00 0.00 60.65 59.14 3b5l s ILE 172 Cb -0.15 -0.73 0.04 0.00 1.25 0.00 0.00 42.46 42.88 3b5l s ILE 172 CO -0.15 -0.30 1.07 -0.32 0.24 0.00 0.00 174.94 175.47 3b5l s MET 173 N -1.53 3.30 0.09 0.37 -2.45 -0.10 -0.23 119.30 118.75 3b5l s MET 173 Ca -0.07 -0.27 0.04 0.00 -1.25 0.00 0.00 55.69 54.15 3b5l s MET 173 Cb -0.10 -4.11 -0.04 0.00 1.25 0.00 0.00 34.83 31.84 3b5l s MET 173 CO 0.01 -1.73 0.04 0.00 1.05 0.00 0.00 175.02 174.39 3b5l s ALA 174 N 4.54 3.41 -0.22 4.11 0.00 0.16 -3.40 121.76 130.35 3b5l s ALA 174 Ca 0.32 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 3b5l s ALA 174 Cb -0.11 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 3b5l s ALA 174 CO 0.18 0.70 0.02 0.99 0.00 0.00 0.00 175.76 177.65 3b5l s THR 175 N -1.39 4.04 0.03 0.00 2.01 0.37 -1.46 115.64 119.25 3b5l s THR 175 Ca 0.27 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.04 3b5l s THR 175 Cb -0.12 -2.86 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 3b5l s THR 175 CO 0.20 0.39 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.67 3b5l s LYS 176 N 1.28 0.70 0.17 4.92 2.20 -0.72 -1.16 119.74 127.13 3b5l s LYS 176 Ca 0.04 -0.62 -0.23 0.00 -0.36 0.00 0.00 55.97 54.80 3b5l s LYS 176 Cb -0.15 -0.63 0.07 0.00 -1.51 0.00 0.00 37.83 35.62 3b5l s LYS 176 CO 0.02 0.15 0.99 0.20 -0.36 0.00 0.00 175.35 176.35 3b5l s GLY 177 N -1.02 -0.06 -0.17 5.54 0.00 -0.42 0.29 107.32 111.48 3b5l s GLY 177 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 3b5l s GLY 177 CO 0.01 0.98 0.03 0.86 0.00 0.00 0.00 173.10 174.97 3b5l s TRP 178 N -2.75 0.94 0.00 1.90 -0.00 -0.35 -1.47 118.94 117.21 3b5l s TRP 178 Ca 0.16 -0.71 0.00 0.00 -0.00 0.00 0.00 56.10 55.55 3b5l s TRP 178 Cb -0.02 -0.98 0.00 0.00 -0.00 0.00 0.00 33.47 32.47 3b5l s TRP 178 CO 0.04 -0.55 0.00 1.04 -0.00 0.00 0.00 176.95 177.47 3b5l n GLN 179 N 5.07 0.00 0.00 5.86 6.02 0.10 -4.29 117.38 130.15 3b5l n GLN 179 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3b5l n GLN 179 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 3b5l n GLN 179 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3b5l n SER 180 N -2.79 -0.89 -4.12 1.08 7.64 -1.26 -4.47 113.62 108.81 3b5l n SER 180 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3b5l n SER 180 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3b5l n SER 180 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3b5l s SER 181 N -4.00 0.21 0.00 6.43 0.01 -1.26 -0.76 113.70 114.34 3b5l s SER 181 Ca 0.00 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.09 3b5l s SER 181 Cb 0.00 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.58 3b5l s SER 181 CO 0.00 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.46 3b5l n GLY 182 N -0.16 -1.02 3.37 3.44 0.00 -0.25 -1.08 105.19 109.49 3b5l n GLY 182 Ca -0.04 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 3b5l n GLY 182 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b5l s SER 183 N -4.00 -0.34 0.06 1.61 1.04 -1.04 -1.01 113.70 110.02 3b5l s SER 183 Ca 0.00 -0.24 -0.14 0.00 0.48 0.00 0.00 55.95 56.05 3b5l s SER 183 Cb 0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.66 3b5l s SER 183 CO 0.00 -0.91 0.31 -0.94 0.98 0.00 0.00 173.24 172.68 3b5l s SER 184 N -2.80 -0.12 -0.05 7.02 1.04 -0.78 -0.90 113.70 117.10 3b5l s SER 184 Ca 0.03 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3b5l s SER 184 Cb 0.01 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.53 3b5l s SER 184 CO -0.11 -0.67 -0.03 -0.89 0.98 0.00 0.00 173.24 172.52 3b5l s THR 185 N -2.88 0.48 -0.04 2.02 2.01 -0.01 -0.75 115.64 116.47 3b5l s THR 185 Ca -0.03 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3b5l s THR 185 Cb 0.00 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 71.97 3b5l s THR 185 CO -0.05 0.24 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.35 3b5l s VAL 186 N 1.29 0.69 -0.12 3.82 1.01 0.04 -0.25 120.40 126.88 3b5l s VAL 186 Ca -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3b5l s VAL 186 Cb -0.14 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.60 3b5l s VAL 186 CO -0.02 0.24 -0.19 -0.55 0.00 0.00 0.00 175.10 174.58 3b5l s SER 187 N 0.56 2.77 -0.00 3.32 0.15 -0.10 -1.14 113.70 119.25 3b5l s SER 187 Ca -0.08 -0.51 0.06 0.00 0.70 0.00 0.00 55.95 56.11 3b5l s SER 187 Cb -0.12 -1.27 -0.02 0.00 -1.71 0.00 0.00 66.02 62.91 3b5l s SER 187 CO 0.01 0.06 -0.18 -0.51 1.20 0.00 0.00 173.24 173.82 3b5l s ILE 188 N 0.84 1.40 0.04 6.45 1.10 -0.09 -1.27 121.20 129.67 3b5l s ILE 188 Ca -0.08 -0.82 -0.06 0.00 -0.51 0.00 0.00 60.65 59.17 3b5l s ILE 188 Cb -0.15 -1.18 -0.01 0.00 0.15 0.00 0.00 42.46 41.27 3b5l s ILE 188 CO -0.00 0.34 0.11 -0.94 -2.11 0.00 0.00 174.94 172.33 3b5l s SER 189 N -0.57 0.17 0.23 4.50 1.04 -0.44 -4.12 113.70 114.51 3b5l s SER 189 Ca 0.06 -0.53 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 3b5l s SER 189 Cb -0.07 0.24 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 3b5l s SER 189 CO -0.00 -0.52 1.08 -0.70 0.98 0.00 0.00 173.24 174.08 3b5l s GLU 190 N -2.65 4.65 0.00 4.02 2.12 -1.26 -0.82 118.70 124.76 3b5l s GLU 190 Ca -0.05 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.01 3b5l s GLU 190 Cb -0.01 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3b5l s GLU 190 CO -0.05 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 3b5l n GLY 191 N 1.60 2.63 0.00 -1.50 0.00 -0.15 -4.82 105.19 102.95 3b5l n GLY 191 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3b5l n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b5l n GLY 192 N -1.98 1.01 3.73 -0.02 0.00 -1.26 -3.00 105.19 103.66 3b5l n GLY 192 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 3b5l n GLY 192 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b5l s ASN 193 N -0.70 6.90 0.00 1.61 0.01 -1.26 -4.83 114.94 116.67 3b5l s ASN 193 Ca 0.00 2.31 0.11 0.00 -0.71 0.00 0.00 52.86 54.57 3b5l s ASN 193 Cb 0.00 -2.60 0.64 0.00 0.41 0.00 0.00 41.25 39.70 3b5l s ASN 193 CO 0.00 -0.56 1.08 -0.81 -1.51 0.00 0.00 177.10 175.30