#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjv s VAL 17 N 0.00 5.39 -0.64 1.39 1.01 -0.01 -3.98 120.40 123.56 1bjv s VAL 17 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1bjv s VAL 17 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1bjv s VAL 17 CO 0.00 0.41 0.11 0.61 0.00 0.00 0.00 175.10 176.24 1bjv n GLY 18 N 3.69 0.13 0.00 4.51 0.00 -1.25 -1.80 105.19 110.47 1bjv n GLY 18 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1bjv n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjv n GLY 19 N -1.02 3.90 3.35 -0.02 0.00 -1.26 -4.82 105.19 105.31 1bjv n GLY 19 Ca -0.07 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 1bjv n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bjv s TYR 20 N 2.20 0.58 -0.14 1.61 1.13 0.09 -4.92 117.35 117.90 1bjv s TYR 20 Ca 0.00 -0.92 -0.29 0.00 -1.41 0.00 0.00 57.07 54.45 1bjv s TYR 20 Cb 0.00 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.70 1bjv s TYR 20 CO 0.00 -0.74 1.17 0.99 -2.51 0.00 0.00 175.55 174.46 1bjv s THR 21 N -4.02 4.41 0.12 -3.49 2.01 -1.26 -0.36 115.64 113.05 1bjv s THR 21 Ca 0.23 1.71 -0.21 0.00 0.31 0.00 0.00 61.69 63.73 1bjv s THR 21 Cb 0.04 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.39 1bjv s THR 21 CO 0.04 -0.08 1.70 0.00 -0.69 0.00 0.00 174.62 175.59 1bjv n GLY 23 N -1.20 3.02 3.69 0.00 0.00 -1.26 -4.88 105.19 104.55 1bjv n GLY 23 Ca -0.04 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 1bjv n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bjv n ALA 24 N 0.75 2.15 -2.21 4.61 0.00 -1.26 -2.22 120.51 122.32 1bjv n ALA 24 Ca 0.00 0.32 -0.17 0.00 0.00 0.00 0.00 53.44 53.59 1bjv n ALA 24 Cb 0.00 -2.58 -0.02 0.00 0.00 0.00 0.00 19.45 16.85 1bjv n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bjv n ASN 25 N 5.55 -4.90 0.06 0.00 3.02 -1.26 -4.84 115.26 112.88 1bjv n ASN 25 Ca 0.18 0.16 0.13 0.00 -0.03 0.00 0.00 54.58 55.02 1bjv n ASN 25 Cb 0.37 -4.18 0.38 0.00 -0.61 0.00 0.00 39.78 35.74 1bjv n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1bjv n THR 26 N -3.37 0.35 -3.64 3.41 -2.24 -0.94 -3.98 114.28 103.86 1bjv n THR 26 Ca -0.20 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 1bjv n THR 26 Cb 0.63 -0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 68.39 1bjv n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bjv n VAL 27 N -1.98 2.24 0.33 2.28 0.31 -1.26 -4.97 118.33 115.28 1bjv n VAL 27 Ca 0.05 -5.09 0.12 0.00 -0.01 0.00 0.00 64.34 59.41 1bjv n VAL 27 Cb 0.40 -2.17 0.52 0.00 -0.91 0.00 0.00 33.84 31.69 1bjv n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1bjv n PRO 28 N 1.50 0.18 0.01 5.55 -0.04 -1.26 -1.30 135.00 139.64 1bjv n PRO 28 Ca 0.25 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.31 1bjv n PRO 28 Cb 0.38 -1.90 0.19 0.00 -0.04 0.00 0.00 33.50 32.13 1bjv n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1bjv n TYR 29 N -2.25 0.10 -1.99 0.54 0.18 -1.18 -1.77 117.16 110.79 1bjv n TYR 29 Ca 0.01 0.03 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 1bjv n TYR 29 Cb 0.18 -0.31 -0.03 0.00 -0.38 0.00 0.00 39.34 38.80 1bjv n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1bjv s GLN 30 N -3.04 4.23 0.07 -3.48 2.00 -0.42 -0.75 119.66 118.26 1bjv s GLN 30 Ca 0.09 2.27 0.07 0.00 -2.00 0.00 0.00 55.36 55.79 1bjv s GLN 30 Cb 0.17 -3.41 -0.04 0.00 0.80 0.00 0.00 33.01 30.53 1bjv s GLN 30 CO 0.72 -0.64 -0.15 0.08 -0.50 0.00 0.00 175.29 174.81 1bjv s VAL 31 N 1.95 3.06 -0.14 1.34 1.01 -0.14 -4.45 120.40 123.04 1bjv s VAL 31 Ca 0.70 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1bjv s VAL 31 Cb -0.40 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1bjv s VAL 31 CO 0.31 0.23 -0.10 -0.55 0.00 0.00 0.00 175.10 174.99 1bjv s SER 32 N -1.80 4.25 -0.22 3.32 0.15 -0.23 -2.09 113.70 117.08 1bjv s SER 32 Ca 0.17 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.40 1bjv s SER 32 Cb -0.11 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1bjv s SER 32 CO 0.09 0.16 0.37 -0.76 1.20 0.00 0.00 173.24 174.30 1bjv s LEU 33 N 0.38 4.13 -0.05 3.45 1.43 0.52 -0.49 118.68 128.05 1bjv s LEU 33 Ca -0.09 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1bjv s LEU 33 Cb -0.15 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 1bjv s LEU 33 CO 0.05 -0.09 -0.19 0.21 0.23 0.00 0.00 176.35 176.56 1bjv s ASN 34 N 1.17 2.38 -0.36 2.29 3.84 -0.07 -1.18 114.94 123.01 1bjv s ASN 34 Ca 0.17 -0.39 0.11 0.00 0.21 0.00 0.00 52.86 52.96 1bjv s ASN 34 Cb -0.15 -0.65 0.45 0.00 -0.55 0.00 0.00 41.25 40.35 1bjv s ASN 34 CO 0.08 0.18 1.07 -1.54 -2.79 0.00 0.00 177.10 174.09 1bjv n SER 37 N 3.08 3.35 0.00 -4.21 3.41 -1.26 -0.20 113.62 117.79 1bjv n SER 37 Ca -0.18 -3.23 0.00 0.00 -0.26 0.00 0.00 58.87 55.21 1bjv n SER 37 Cb 0.53 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1bjv n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bjv n GLY 38 N -0.38 0.44 3.57 5.00 0.00 -1.26 -5.01 105.19 107.54 1bjv n GLY 38 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 1bjv n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bjv s TYR 39 N -2.06 -0.24 0.08 1.61 1.13 -1.26 -5.13 117.35 111.47 1bjv s TYR 39 Ca 0.00 0.25 -0.31 0.00 -1.41 0.00 0.00 57.07 55.60 1bjv s TYR 39 Cb 0.00 0.51 -0.08 0.00 -1.10 0.00 0.00 41.96 41.29 1bjv s TYR 39 CO 0.00 -0.33 1.49 -1.58 -2.51 0.00 0.00 175.55 172.62 1bjv s HIS 40 N -2.21 2.89 0.00 -3.49 5.65 -1.26 -4.17 115.29 112.70 1bjv s HIS 40 Ca 0.05 0.70 0.00 0.00 0.25 0.00 0.00 55.06 56.07 1bjv s HIS 40 Cb -0.01 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.61 1bjv s HIS 40 CO -0.05 -2.94 0.00 1.97 -0.65 0.00 0.00 174.74 173.07 1bjv n PHE 41 N 4.78 0.00 -3.46 3.88 -1.74 -0.32 -4.97 117.46 115.63 1bjv n PHE 41 Ca 0.13 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.90 1bjv n PHE 41 Cb 0.42 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.39 1bjv n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1bjv s GLY 43 N -2.35 1.77 0.19 0.00 0.00 0.59 -0.35 107.32 107.17 1bjv s GLY 43 Ca -0.01 -1.72 -0.24 0.00 0.00 0.00 0.00 44.72 42.76 1bjv s GLY 43 CO -0.07 -1.23 0.85 -0.32 0.00 0.00 0.00 173.10 172.33 1bjv s GLY 44 N -4.66 -0.21 -0.09 0.20 0.00 -0.89 -3.59 107.32 98.08 1bjv s GLY 44 Ca 0.64 0.03 0.04 0.00 0.00 0.00 0.00 44.72 45.42 1bjv s GLY 44 CO 0.42 -0.01 -0.22 -0.56 0.00 0.00 0.00 173.10 172.74 1bjv s SER 45 N -2.90 2.83 -0.15 1.64 0.01 -0.13 -0.96 113.70 114.04 1bjv s SER 45 Ca 0.11 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.57 1bjv s SER 45 Cb -0.03 -1.26 -0.01 0.00 0.21 0.00 0.00 66.02 64.93 1bjv s SER 45 CO 0.03 0.14 1.19 -0.22 0.41 0.00 0.00 173.24 174.78 1bjv s LEU 46 N 0.37 4.19 0.00 2.44 2.96 0.07 -1.05 118.68 127.67 1bjv s LEU 46 Ca -0.17 1.65 0.13 0.00 -0.22 0.00 0.00 54.13 55.52 1bjv s LEU 46 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1bjv s LEU 46 CO 0.08 -0.68 0.70 2.30 -1.32 0.00 0.00 176.35 177.42 1bjv n ILE 47 N 5.13 0.00 -3.82 6.68 -5.35 -0.62 -1.19 119.36 120.19 1bjv n ILE 47 Ca 0.12 -0.32 -0.02 0.00 -0.27 0.00 0.00 62.75 62.27 1bjv n ILE 47 Cb 0.46 1.12 0.01 0.00 -1.74 0.00 0.00 39.64 39.48 1bjv n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1bjv s ASN 48 N -1.78 -0.05 0.39 7.28 2.20 -1.23 -4.70 114.94 117.06 1bjv s ASN 48 Ca 0.09 -0.46 0.26 0.00 -0.94 0.00 0.00 52.86 51.82 1bjv s ASN 48 Cb 0.10 0.39 1.42 0.00 -2.00 0.00 0.00 41.25 41.17 1bjv s ASN 48 CO 0.38 -0.76 1.80 0.77 -2.94 0.00 0.00 177.10 176.35 1bjv h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.96 -2.94 113.55 118.83 1bjv h SER 49 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1bjv h SER 49 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1bjv h SER 49 CO 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.28 1bjv n GLN 50 N -2.42 2.60 -4.85 4.77 6.02 -1.26 -0.57 117.38 121.67 1bjv n GLN 50 Ca -0.02 -0.26 -0.25 0.00 -0.01 0.00 0.00 57.00 56.46 1bjv n GLN 50 Cb 0.04 -0.75 -0.15 0.00 1.02 0.00 0.00 30.24 30.40 1bjv n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1bjv s TRP 51 N -0.45 1.59 -0.03 1.08 0.52 -1.11 -0.95 118.94 119.60 1bjv s TRP 51 Ca 0.00 -0.31 0.07 0.00 0.02 0.00 0.00 56.10 55.88 1bjv s TRP 51 Cb 0.00 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.27 1bjv s TRP 51 CO 0.00 -0.04 -0.24 0.08 0.02 0.00 0.00 176.95 176.77 1bjv s VAL 52 N -0.38 1.90 -0.04 4.03 1.01 -0.15 -1.59 120.40 125.18 1bjv s VAL 52 Ca 0.06 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1bjv s VAL 52 Cb -0.07 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1bjv s VAL 52 CO -0.00 0.54 0.05 0.54 0.00 0.00 0.00 175.10 176.22 1bjv s VAL 53 N -0.47 4.55 0.00 2.92 0.11 -0.21 -0.74 120.40 126.56 1bjv s VAL 53 Ca 0.07 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1bjv s VAL 53 Cb -0.10 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.74 1bjv s VAL 53 CO -0.00 0.46 0.00 -0.24 -3.33 0.00 0.00 175.10 171.99 1bjv n SER 54 N 1.60 0.00 -4.81 3.54 2.88 0.24 -0.96 113.62 116.11 1bjv n SER 54 Ca -0.16 -0.78 -0.38 0.00 -1.33 0.00 0.00 58.87 56.22 1bjv n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1bjv n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bjv s ALA 55 N -1.50 3.54 0.41 -1.46 0.00 -1.26 -0.64 121.76 120.85 1bjv s ALA 55 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.18 1bjv s ALA 55 Cb 0.00 -2.72 0.87 0.00 0.00 0.00 0.00 23.12 21.26 1bjv s ALA 55 CO 0.00 0.37 1.98 0.00 0.00 0.00 0.00 175.76 178.11 1bjv h ALA 56 N 4.28 1.62 0.00 0.00 0.00 -1.67 -0.94 119.26 122.54 1bjv h ALA 56 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1bjv h ALA 56 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bjv h ALA 56 CO 0.64 0.28 0.00 -2.39 0.00 0.00 0.00 179.25 177.79 1bjv n HIS 57 N -4.35 0.00 1.25 0.00 1.44 -1.26 -1.15 115.22 111.15 1bjv n HIS 57 Ca -0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.81 1bjv n HIS 57 Cb 0.20 -0.42 0.39 0.00 0.12 0.00 0.00 29.99 30.28 1bjv n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bjv s TYR 59 N -1.81 2.55 -0.08 0.00 5.04 -0.30 -4.99 117.35 117.76 1bjv s TYR 59 Ca 0.33 1.16 -0.31 0.00 -2.44 0.00 0.00 57.07 55.81 1bjv s TYR 59 Cb 0.18 -4.03 0.08 0.00 0.35 0.00 0.00 41.96 38.54 1bjv s TYR 59 CO 0.27 -3.05 0.76 0.21 -1.34 0.00 0.00 175.55 172.40 1bjv s LYS 60 N -2.14 0.94 0.46 4.97 2.20 -1.26 -5.15 119.74 119.76 1bjv s LYS 60 Ca 0.54 0.24 -0.13 0.00 -0.36 0.00 0.00 55.97 56.25 1bjv s LYS 60 Cb -0.47 0.44 -0.07 0.00 -1.51 0.00 0.00 37.83 36.23 1bjv s LYS 60 CO 0.63 -0.29 0.86 -1.12 -0.36 0.00 0.00 175.35 175.07 1bjv s SER 61 N -1.16 6.54 -0.30 1.43 0.01 -1.26 -4.51 113.70 114.45 1bjv s SER 61 Ca -0.09 1.30 -0.01 0.00 1.31 0.00 0.00 55.95 58.46 1bjv s SER 61 Cb -0.00 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1bjv s SER 61 CO 0.08 -0.49 0.26 0.61 0.41 0.00 0.00 173.24 174.11 1bjv n GLY 62 N -1.48 0.47 3.73 3.44 0.00 -1.26 -5.02 105.19 105.06 1bjv n GLY 62 Ca 0.04 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 1bjv n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bjv s ILE 63 N -3.08 4.89 -0.13 -0.61 1.01 -1.26 -4.49 121.20 117.53 1bjv s ILE 63 Ca 0.09 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.34 1bjv s ILE 63 Cb -0.04 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 1bjv s ILE 63 CO 0.17 0.29 -0.16 -1.58 0.00 0.00 0.00 174.94 173.66 1bjv s GLN 64 N 0.45 3.27 -0.05 2.79 0.74 0.71 -1.70 119.66 125.87 1bjv s GLN 64 Ca 0.40 -0.74 -0.22 0.00 0.05 0.00 0.00 55.36 54.85 1bjv s GLN 64 Cb -0.19 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 1bjv s GLN 64 CO 0.21 0.16 0.64 0.08 -0.55 0.00 0.00 175.29 175.83 1bjv s VAL 65 N 0.47 5.02 -0.29 1.34 1.01 -0.00 -0.89 120.40 127.06 1bjv s VAL 65 Ca -0.11 1.32 -0.00 0.00 0.00 0.00 0.00 61.98 63.18 1bjv s VAL 65 Cb -0.16 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.29 1bjv s VAL 65 CO 0.05 0.31 -0.03 -0.13 0.00 0.00 0.00 175.10 175.30 1bjv s ARG 66 N 0.48 2.39 0.24 2.72 0.52 0.36 -1.37 118.95 124.30 1bjv s ARG 66 Ca 0.34 -1.28 0.06 0.00 -0.52 0.00 0.00 55.73 54.33 1bjv s ARG 66 Cb -0.17 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1bjv s ARG 66 CO 0.17 -0.60 0.25 -0.51 0.02 0.00 0.00 175.30 174.63 1bjv s LEU 67 N 1.22 4.01 -0.86 2.53 1.43 -0.10 -1.07 118.68 125.84 1bjv s LEU 67 Ca -0.06 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1bjv s LEU 67 Cb -0.20 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1bjv s LEU 67 CO -0.02 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1bjv n GLY 69 N -1.18 0.88 3.81 -3.19 0.00 -1.26 -1.11 105.19 103.13 1bjv n GLY 69 Ca -0.08 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 1bjv n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bjv s GLU 70 N -2.95 4.25 0.00 1.61 0.41 -1.26 -3.79 118.70 116.96 1bjv s GLU 70 Ca 0.00 0.80 0.00 0.00 -0.41 0.00 0.00 54.97 55.36 1bjv s GLU 70 Cb 0.00 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 29.14 1bjv s GLU 70 CO 0.00 0.61 0.00 -3.47 -0.49 0.00 0.00 175.26 171.91 1bjv n ASP 71 N 1.60 0.00 -4.59 -0.19 2.03 -1.26 -4.57 116.55 109.58 1bjv n ASP 71 Ca -0.09 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.79 1bjv n ASP 71 Cb 0.50 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 1bjv n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1bjv s ASN 72 N 0.87 6.52 0.00 1.67 3.84 -1.26 -3.59 114.94 122.99 1bjv s ASN 72 Ca 0.00 0.24 0.11 0.00 0.21 0.00 0.00 52.86 53.42 1bjv s ASN 72 Cb 0.00 -2.55 0.55 0.00 -0.55 0.00 0.00 41.25 38.71 1bjv s ASN 72 CO 0.00 -1.37 1.22 2.30 -2.79 0.00 0.00 177.10 176.46 1bjv n ILE 73 N 6.73 0.65 0.69 -5.21 -5.35 -0.59 -2.57 119.36 113.70 1bjv n ILE 73 Ca 0.10 0.16 0.07 0.00 -0.27 0.00 0.00 62.75 62.81 1bjv n ILE 73 Cb 0.49 -0.99 -0.02 0.00 -1.74 0.00 0.00 39.64 37.39 1bjv n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1bjv n ASN 74 N -1.25 1.43 -4.09 7.28 3.02 -1.26 -4.96 115.26 115.43 1bjv n ASN 74 Ca 0.05 -1.22 -0.24 0.00 -0.03 0.00 0.00 54.58 53.14 1bjv n ASN 74 Cb 0.08 0.56 -0.16 0.00 -0.61 0.00 0.00 39.78 39.65 1bjv n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bjv s VAL 75 N -1.93 1.23 -0.37 2.41 1.01 -1.06 -5.09 120.40 116.60 1bjv s VAL 75 Ca 0.12 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 1bjv s VAL 75 Cb 0.12 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1bjv s VAL 75 CO 0.42 0.36 1.04 -0.69 0.00 0.00 0.00 175.10 176.24 1bjv s VAL 76 N 0.11 4.46 -0.24 2.92 1.01 -1.26 -4.69 120.40 122.72 1bjv s VAL 76 Ca -0.04 1.44 0.14 0.00 0.00 0.00 0.00 61.98 63.52 1bjv s VAL 76 Cb -0.11 -4.44 -0.20 0.00 0.00 0.00 0.00 36.38 31.63 1bjv s VAL 76 CO 0.02 -0.63 0.41 -0.62 0.00 0.00 0.00 175.10 174.28 1bjv n GLU 77 N 7.07 1.09 0.00 2.72 1.02 -1.26 -5.02 120.64 126.26 1bjv n GLU 77 Ca 0.10 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1bjv n GLU 77 Cb 0.48 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1bjv n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bjv n GLY 78 N 1.56 1.35 0.41 0.62 0.00 -1.26 -4.99 105.19 102.88 1bjv n GLY 78 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1bjv n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bjv n ASN 79 N 0.00 2.75 -4.87 1.61 3.02 -1.26 -5.05 115.26 111.46 1bjv n ASN 79 Ca 0.00 -2.39 -0.31 0.00 -0.03 0.00 0.00 54.58 51.86 1bjv n ASN 79 Cb 0.00 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 1bjv n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1bjv s GLU 80 N -1.68 3.82 -0.06 3.52 8.01 -1.25 -4.30 118.70 126.76 1bjv s GLU 80 Ca 0.22 0.56 0.01 0.00 0.01 0.00 0.00 54.97 55.77 1bjv s GLU 80 Cb 0.16 -2.35 0.02 0.00 -4.31 0.00 0.00 34.13 27.64 1bjv s GLU 80 CO 0.08 -0.06 -0.08 -0.65 0.01 0.00 0.00 175.26 174.56 1bjv s GLN 81 N -3.81 1.30 -0.26 1.61 -0.21 -0.27 -4.96 119.66 113.05 1bjv s GLN 81 Ca 0.53 -0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.66 1bjv s GLN 81 Cb -0.10 -1.17 0.05 0.00 1.00 0.00 0.00 33.01 32.79 1bjv s GLN 81 CO 0.30 -0.05 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.28 1bjv s PHE 82 N 0.87 3.24 -0.12 0.91 0.08 -1.26 -0.93 117.98 120.77 1bjv s PHE 82 Ca -0.11 -2.17 -0.01 0.00 0.12 0.00 0.00 56.93 54.76 1bjv s PHE 82 Cb -0.15 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1bjv s PHE 82 CO 0.01 -0.85 -0.05 0.42 -0.10 0.00 0.00 175.22 174.65 1bjv s ILE 83 N 1.15 0.85 0.67 0.64 1.01 -0.47 -4.98 121.20 120.08 1bjv s ILE 83 Ca -0.07 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.15 1bjv s ILE 83 Cb -0.19 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1bjv s ILE 83 CO -0.05 0.27 1.23 -0.44 0.00 0.00 0.00 174.94 175.95 1bjv s SER 84 N 1.77 4.56 0.18 3.58 0.01 -1.26 -0.82 113.70 121.71 1bjv s SER 84 Ca 0.04 2.43 -0.30 0.00 1.31 0.00 0.00 55.95 59.43 1bjv s SER 84 Cb -0.13 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 1bjv s SER 84 CO -0.07 -2.02 1.02 0.00 0.41 0.00 0.00 173.24 172.58 1bjv s ALA 85 N -1.73 3.33 -0.07 1.44 0.00 -0.69 -1.06 121.76 122.98 1bjv s ALA 85 Ca 0.77 0.71 0.14 0.00 0.00 0.00 0.00 51.96 53.58 1bjv s ALA 85 Cb -0.32 -3.30 -0.23 0.00 0.00 0.00 0.00 23.12 19.28 1bjv s ALA 85 CO 0.41 -0.06 0.58 -1.13 0.00 0.00 0.00 175.76 175.56 1bjv n SER 86 N 2.24 0.74 -3.53 0.00 3.41 0.74 -4.74 113.62 112.46 1bjv n SER 86 Ca 0.01 0.35 -0.14 0.00 -0.26 0.00 0.00 58.87 58.83 1bjv n SER 86 Cb 0.47 0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 1bjv n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1bjv s LYS 87 N -2.61 1.09 0.09 4.33 -2.85 -1.24 -5.02 119.74 113.53 1bjv s LYS 87 Ca -0.05 -0.18 0.10 0.00 -1.00 0.00 0.00 55.97 54.83 1bjv s LYS 87 Cb 0.08 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.31 1bjv s LYS 87 CO 0.83 -0.40 -0.26 -1.12 0.10 0.00 0.00 175.35 174.50 1bjv s SER 88 N -1.96 3.11 -0.22 0.03 0.01 -1.26 -1.26 113.70 112.15 1bjv s SER 88 Ca -0.05 -0.67 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 1bjv s SER 88 Cb -0.01 -0.23 0.07 0.00 0.21 0.00 0.00 66.02 66.06 1bjv s SER 88 CO -0.01 0.19 0.07 -0.63 0.41 0.00 0.00 173.24 173.27 1bjv s ILE 89 N -0.96 0.38 0.18 1.44 1.01 0.03 -5.00 121.20 118.29 1bjv s ILE 89 Ca 0.12 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 59.88 1bjv s ILE 89 Cb -0.10 -1.03 -0.08 0.00 0.01 0.00 0.00 42.46 41.26 1bjv s ILE 89 CO 0.04 -0.36 0.80 -0.69 0.00 0.00 0.00 174.94 174.73 1bjv s VAL 90 N 1.91 4.33 0.20 2.92 1.01 -1.26 -1.50 120.40 128.01 1bjv s VAL 90 Ca 0.02 1.74 -0.32 0.00 0.00 0.00 0.00 61.98 63.42 1bjv s VAL 90 Cb -0.17 -4.15 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 1bjv s VAL 90 CO -0.14 0.49 1.30 1.57 0.00 0.00 0.00 175.10 178.32 1bjv n HIS 91 N 1.50 1.76 0.24 5.22 -0.00 -0.99 -4.84 115.22 118.10 1bjv n HIS 91 Ca -0.05 0.54 0.08 0.00 0.46 0.00 0.00 57.72 58.75 1bjv n HIS 91 Cb 0.49 -2.38 0.62 0.00 -0.12 0.00 0.00 29.99 28.60 1bjv n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1bjv h PRO 92 N 3.91 0.04 -0.63 1.57 0.13 -1.94 -1.35 132.00 133.74 1bjv h PRO 92 Ca -0.44 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1bjv h PRO 92 Cb 1.31 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1bjv h PRO 92 CO 0.74 0.03 0.13 0.43 -0.23 0.00 0.00 178.00 179.10 1bjv n SER 93 N -4.53 5.17 -4.70 1.44 7.64 -1.26 -4.98 113.62 112.40 1bjv n SER 93 Ca -0.02 -3.09 -0.42 0.00 1.01 0.00 0.00 58.87 56.34 1bjv n SER 93 Cb 0.09 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 62.56 1bjv n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1bjv s TYR 94 N -2.90 2.94 -0.28 1.43 5.04 -0.51 -4.68 117.35 118.39 1bjv s TYR 94 Ca 0.54 0.78 -0.06 0.00 -2.44 0.00 0.00 57.07 55.89 1bjv s TYR 94 Cb 0.42 -3.73 0.01 0.00 0.35 0.00 0.00 41.96 39.01 1bjv s TYR 94 CO 0.14 -2.71 0.05 1.21 -1.34 0.00 0.00 175.55 172.90 1bjv s ASN 95 N 1.64 4.93 0.53 4.32 3.84 -0.59 -5.00 114.94 124.62 1bjv s ASN 95 Ca 0.66 -0.74 0.32 0.00 0.21 0.00 0.00 52.86 53.31 1bjv s ASN 95 Cb -0.35 -1.83 1.37 0.00 -0.55 0.00 0.00 41.25 39.89 1bjv s ASN 95 CO 0.29 -0.17 1.99 0.77 -2.79 0.00 0.00 177.10 177.19 1bjv h SER 96 N 8.18 0.00 0.11 -4.21 4.64 -1.94 0.12 113.55 120.45 1bjv h SER 96 Ca -0.32 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.73 1bjv h SER 96 Cb 1.12 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1bjv h SER 96 CO 0.60 0.07 -1.09 0.78 -0.87 0.00 0.00 176.83 176.31 1bjv h ASN 97 N 0.00 0.83 -0.00 4.97 -0.26 -1.97 -3.33 115.58 115.82 1bjv h ASN 97 Ca -0.00 -0.70 0.00 0.00 -0.56 0.00 0.00 56.30 55.04 1bjv h ASN 97 Cb 0.50 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1bjv h ASN 97 CO 0.01 1.50 -0.86 0.35 -1.06 0.00 0.00 177.43 177.37 1bjv n THR 98 N -3.81 0.00 -1.81 2.81 -2.24 -1.16 -4.96 114.28 103.10 1bjv n THR 98 Ca -0.11 -0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.39 1bjv n THR 98 Cb 0.91 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 70.08 1bjv n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bjv n LEU 99 N -1.38 -1.62 -4.73 3.22 4.32 0.42 -4.95 117.00 112.28 1bjv n LEU 99 Ca 0.04 0.38 -0.41 0.00 -0.02 0.00 0.00 56.01 55.99 1bjv n LEU 99 Cb 0.30 -2.87 -0.03 0.00 -1.62 0.00 0.00 43.42 39.20 1bjv n LEU 99 CO 0.37 -0.86 1.01 0.21 -1.22 0.00 0.00 177.39 176.91 1bjv s ASN 100 N -2.57 6.86 -1.08 -1.43 2.47 -1.18 -3.28 114.94 114.72 1bjv s ASN 100 Ca 0.00 2.41 -0.01 0.00 0.42 0.00 0.00 52.86 55.68 1bjv s ASN 100 Cb 0.00 -2.61 -0.01 0.00 -1.45 0.00 0.00 41.25 37.18 1bjv s ASN 100 CO 0.00 -0.57 0.91 0.59 -3.72 0.00 0.00 177.10 174.31 1bjv n ASN 101 N 2.89 -2.69 -4.15 -4.21 4.13 -1.26 -1.54 115.26 108.44 1bjv n ASN 101 Ca 0.07 -0.58 -0.43 0.00 1.68 0.00 0.00 54.58 55.32 1bjv n ASN 101 Cb 0.42 -4.77 0.00 0.00 -1.54 0.00 0.00 39.78 33.90 1bjv n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1bjv n ASP 102 N -2.98 4.80 -3.88 6.41 2.03 -1.21 -4.35 116.55 117.37 1bjv n ASP 102 Ca -0.24 -2.97 -0.11 0.00 0.52 0.00 0.00 54.79 51.99 1bjv n ASP 102 Cb 0.65 -1.61 -0.11 0.00 -0.72 0.00 0.00 41.12 39.33 1bjv n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1bjv s ILE 103 N 2.21 0.06 0.00 5.18 2.07 -1.26 -3.80 121.20 125.65 1bjv s ILE 103 Ca 0.45 -0.48 -0.18 0.00 -1.41 0.00 0.00 60.65 59.03 1bjv s ILE 103 Cb 0.06 -0.29 0.03 0.00 0.13 0.00 0.00 42.46 42.39 1bjv s ILE 103 CO -0.00 -0.27 0.40 0.00 -1.91 0.00 0.00 174.94 173.16 1bjv s MET 104 N -0.87 0.81 -0.05 3.50 0.23 0.19 -2.35 119.30 120.76 1bjv s MET 104 Ca -0.10 -0.19 0.02 0.00 -1.03 0.00 0.00 55.69 54.40 1bjv s MET 104 Cb -0.06 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.58 1bjv s MET 104 CO 0.00 -0.25 -0.09 -0.51 -2.03 0.00 0.00 175.02 172.14 1bjv s LEU 105 N -1.55 3.02 -0.11 0.18 1.02 -0.56 -0.59 118.68 120.09 1bjv s LEU 105 Ca -0.10 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 53.97 1bjv s LEU 105 Cb -0.03 -1.66 0.02 0.00 0.02 0.00 0.00 46.19 44.54 1bjv s LEU 105 CO 0.03 0.35 -0.15 -0.63 0.02 0.00 0.00 176.35 175.97 1bjv s ILE 106 N -0.81 1.47 -0.02 -0.59 1.01 0.08 -0.79 121.20 121.55 1bjv s ILE 106 Ca 0.13 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1bjv s ILE 106 Cb -0.11 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 1bjv s ILE 106 CO 0.02 0.44 0.30 -0.75 0.00 0.00 0.00 174.94 174.95 1bjv s LYS 107 N 1.06 3.69 0.14 2.79 2.20 -0.39 -0.98 119.74 128.25 1bjv s LYS 107 Ca -0.05 0.13 -0.18 0.00 -0.36 0.00 0.00 55.97 55.51 1bjv s LYS 107 Cb -0.15 -3.16 -0.07 0.00 -1.51 0.00 0.00 37.83 32.95 1bjv s LYS 107 CO -0.03 0.69 0.61 -0.51 -0.36 0.00 0.00 175.35 175.76 1bjv s LEU 108 N -1.30 4.43 0.48 5.43 1.43 -0.12 -0.19 118.68 128.83 1bjv s LEU 108 Ca 0.23 1.27 0.23 0.00 -1.03 0.00 0.00 54.13 54.83 1bjv s LEU 108 Cb -0.14 -3.21 1.21 0.00 0.03 0.00 0.00 46.19 44.08 1bjv s LEU 108 CO 0.12 0.16 1.99 0.07 0.23 0.00 0.00 176.35 178.92 1bjv h LYS 109 N 3.94 0.00 -4.95 1.70 2.10 -1.39 -3.42 116.57 114.55 1bjv h LYS 109 Ca -0.49 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 57.84 1bjv h LYS 109 Cb 1.20 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.34 1bjv h LYS 109 CO 0.65 0.18 -0.74 -1.54 -2.00 0.00 0.00 179.45 176.00 1bjv s SER 110 N -6.40 1.38 0.38 7.07 1.04 -1.26 -5.01 113.70 110.91 1bjv s SER 110 Ca -0.03 -0.74 -0.26 0.00 0.48 0.00 0.00 55.95 55.40 1bjv s SER 110 Cb 0.13 0.01 -0.09 0.00 0.10 0.00 0.00 66.02 66.17 1bjv s SER 110 CO 0.63 -0.23 1.17 0.00 0.98 0.00 0.00 173.24 175.79 1bjv s ALA 111 N -2.11 3.20 0.57 5.32 0.00 -1.26 -4.85 121.76 122.63 1bjv s ALA 111 Ca 0.02 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 1bjv s ALA 111 Cb -0.05 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1bjv s ALA 111 CO 0.00 -0.50 1.14 0.00 0.00 0.00 0.00 175.76 176.41 1bjv s ALA 112 N -1.38 2.63 -0.50 0.00 0.00 0.26 -5.01 121.76 117.77 1bjv s ALA 112 Ca 0.55 0.83 -0.25 0.00 0.00 0.00 0.00 51.96 53.10 1bjv s ALA 112 Cb -0.31 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.47 1bjv s ALA 112 CO 0.40 -0.91 0.93 -1.12 0.00 0.00 0.00 175.76 175.05 1bjv s SER 113 N -1.83 6.42 0.39 0.00 0.01 -1.26 -4.85 113.70 112.58 1bjv s SER 113 Ca 0.73 -0.11 -0.19 0.00 1.31 0.00 0.00 55.95 57.69 1bjv s SER 113 Cb -0.25 -2.44 -0.10 0.00 0.21 0.00 0.00 66.02 63.44 1bjv s SER 113 CO 0.30 -1.13 0.87 -0.76 0.41 0.00 0.00 173.24 172.93 1bjv s LEU 114 N 3.84 4.00 0.00 2.44 1.02 -1.26 -4.82 118.68 123.90 1bjv s LEU 114 Ca 0.34 1.55 0.00 0.00 0.02 0.00 0.00 54.13 56.04 1bjv s LEU 114 Cb -0.11 -4.35 0.00 0.00 0.02 0.00 0.00 46.19 41.75 1bjv s LEU 114 CO 0.23 -0.29 0.00 -0.46 0.02 0.00 0.00 176.35 175.85 1bjv n ASN 115 N -0.48 0.00 0.04 2.29 0.23 0.79 -4.99 115.26 113.14 1bjv n ASN 115 Ca 0.05 -0.45 -0.05 0.00 -0.53 0.00 0.00 54.58 53.61 1bjv n ASN 115 Cb 0.53 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.40 1bjv n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1bjv h SER 116 N 0.00 0.43 0.79 0.53 4.64 -2.00 -3.27 113.55 114.66 1bjv h SER 116 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1bjv h SER 116 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1bjv h SER 116 CO 0.00 0.79 -1.17 0.54 -0.87 0.00 0.00 176.83 176.12 1bjv n ARG 117 N -4.02 0.59 -3.85 4.77 3.00 -1.26 -4.63 116.66 111.26 1bjv n ARG 117 Ca -0.02 0.06 -0.29 0.00 -0.01 0.00 0.00 57.85 57.59 1bjv n ARG 117 Cb 0.50 -1.76 -0.16 0.00 0.00 0.00 0.00 32.46 31.04 1bjv n ARG 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1bjv s VAL 118 N -3.38 1.06 0.03 1.55 1.01 -1.23 -4.44 120.40 114.99 1bjv s VAL 118 Ca -0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1bjv s VAL 118 Cb 0.11 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1bjv s VAL 118 CO 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 175.79 1bjv s ALA 119 N 1.62 0.12 0.38 5.51 0.00 -0.73 -0.15 121.76 128.50 1bjv s ALA 119 Ca -0.03 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 1bjv s ALA 119 Cb -0.18 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 1bjv s ALA 119 CO -0.07 -0.22 0.74 -1.54 0.00 0.00 0.00 175.76 174.67 1bjv s SER 120 N -1.78 6.54 -0.04 0.00 1.04 -1.26 -3.08 113.70 115.12 1bjv s SER 120 Ca -0.11 1.11 -0.03 0.00 0.48 0.00 0.00 55.95 57.40 1bjv s SER 120 Cb -0.06 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 1bjv s SER 120 CO -0.03 -0.35 0.14 -0.51 0.98 0.00 0.00 173.24 173.47 1bjv s ILE 121 N -2.29 5.22 0.33 -1.02 1.10 -0.33 -4.91 121.20 119.30 1bjv s ILE 121 Ca 0.51 -0.13 -0.27 0.00 -0.51 0.00 0.00 60.65 60.25 1bjv s ILE 121 Cb -0.10 -3.37 -0.09 0.00 0.15 0.00 0.00 42.46 39.05 1bjv s ILE 121 CO 0.29 0.43 1.07 -0.44 -2.11 0.00 0.00 174.94 174.18 1bjv s SER 122 N -1.59 7.07 0.51 4.50 0.01 -1.26 -4.60 113.70 118.34 1bjv s SER 122 Ca 0.22 2.15 -0.19 0.00 1.31 0.00 0.00 55.95 59.44 1bjv s SER 122 Cb -0.12 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 1bjv s SER 122 CO 0.13 -0.28 1.02 -0.76 0.41 0.00 0.00 173.24 173.76 1bjv s LEU 123 N -1.95 3.75 0.52 2.44 1.43 -1.26 -0.85 118.68 122.76 1bjv s LEU 123 Ca 0.50 1.83 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1bjv s LEU 123 Cb -0.27 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.33 1bjv s LEU 123 CO 0.35 -0.78 1.06 -2.16 0.23 0.00 0.00 176.35 175.04 1bjv s PRO 124 N -3.52 3.62 -0.00 1.29 0.04 -1.26 -4.79 135.00 130.38 1bjv s PRO 124 Ca 0.65 1.39 0.15 0.00 0.04 0.00 0.00 61.00 63.23 1bjv s PRO 124 Cb -0.14 -2.06 -0.19 0.00 0.04 0.00 0.00 34.50 32.14 1bjv s PRO 124 CO 0.24 -0.59 0.70 2.41 0.04 0.00 0.00 177.00 179.80 1bjv n THR 125 N -1.22 1.35 -4.01 1.26 -1.04 -1.26 -4.96 114.28 104.39 1bjv n THR 125 Ca 0.10 -0.74 -0.08 0.00 -2.04 0.00 0.00 64.05 61.28 1bjv n THR 125 Cb 0.52 -0.82 -0.09 0.00 -1.82 0.00 0.00 70.33 68.12 1bjv n THR 125 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1bjv s SER 127 N -5.85 0.32 0.47 8.00 0.01 -1.26 -5.15 113.70 110.24 1bjv s SER 127 Ca -0.04 -0.90 -0.21 0.00 1.31 0.00 0.00 55.95 56.11 1bjv s SER 127 Cb 0.08 0.27 -0.09 0.00 0.21 0.00 0.00 66.02 66.50 1bjv s SER 127 CO 0.82 -0.68 1.03 0.00 0.41 0.00 0.00 173.24 174.82 1bjv s ALA 129 N -1.97 2.80 0.25 0.00 0.00 -1.26 -5.08 121.76 116.50 1bjv s ALA 129 Ca 0.66 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.56 1bjv s ALA 129 Cb -0.16 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1bjv s ALA 129 CO 0.20 -1.11 0.05 -1.12 0.00 0.00 0.00 175.76 173.77 1bjv s SER 130 N -4.10 4.82 0.27 0.00 0.01 -1.26 -5.07 113.70 108.38 1bjv s SER 130 Ca 0.58 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 1bjv s SER 130 Cb -0.12 -1.01 -0.13 0.00 0.21 0.00 0.00 66.02 64.97 1bjv s SER 130 CO 0.54 0.00 1.32 0.00 0.41 0.00 0.00 173.24 175.51 1bjv n ALA 132 N -0.87 0.95 0.00 1.44 0.00 -1.26 -1.96 120.51 118.80 1bjv n ALA 132 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1bjv n ALA 132 Cb 0.58 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1bjv n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bjv n GLY 133 N 1.63 3.19 3.73 0.00 0.00 0.26 -4.95 105.19 109.05 1bjv n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1bjv n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bjv s THR 134 N -2.90 2.74 0.09 2.61 2.01 -0.83 -4.59 115.64 114.77 1bjv s THR 134 Ca 0.00 0.56 -0.27 0.00 0.31 0.00 0.00 61.69 62.29 1bjv s THR 134 Cb 0.00 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 1bjv s THR 134 CO 0.00 0.06 0.83 -1.58 -0.69 0.00 0.00 174.62 173.24 1bjv s GLN 135 N 0.62 4.57 0.26 4.92 2.00 -1.26 -1.04 119.66 129.73 1bjv s GLN 135 Ca 0.65 1.20 0.05 0.00 -2.00 0.00 0.00 55.36 55.26 1bjv s GLN 135 Cb -0.42 -3.35 -0.05 0.00 0.80 0.00 0.00 33.01 29.98 1bjv s GLN 135 CO 0.35 0.31 -0.03 0.00 -0.50 0.00 0.00 175.29 175.42 1bjv s LEU 137 N -3.37 3.00 -0.06 0.00 2.96 0.14 -0.87 118.68 120.47 1bjv s LEU 137 Ca 0.29 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1bjv s LEU 137 Cb 0.05 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1bjv s LEU 137 CO 0.10 0.02 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.37 1bjv s ILE 138 N 1.26 3.03 0.03 6.68 1.01 0.09 -1.82 121.20 131.48 1bjv s ILE 138 Ca 0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1bjv s ILE 138 Cb -0.14 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1bjv s ILE 138 CO -0.01 0.58 0.04 -0.94 0.00 0.00 0.00 174.94 174.61 1bjv s SER 139 N -0.57 0.24 0.00 3.58 1.04 -1.19 -0.93 113.70 115.88 1bjv s SER 139 Ca 0.08 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1bjv s SER 139 Cb -0.11 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1bjv s SER 139 CO 0.01 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1bjv n GLY 140 N 0.94 0.27 2.21 7.32 0.00 -0.81 -4.28 105.19 110.86 1bjv n GLY 140 Ca -0.20 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 1bjv n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bjv n TRP 141 N -0.17 3.03 -1.81 1.61 8.01 -1.26 -2.29 117.44 124.56 1bjv n TRP 141 Ca 0.00 -1.94 -0.22 0.00 -1.31 0.00 0.00 57.50 54.03 1bjv n TRP 141 Cb 0.00 -0.99 0.15 0.00 -2.01 0.00 0.00 31.31 28.46 1bjv n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bjv n GLY 142 N -1.09 -1.14 3.73 6.99 0.00 -1.25 -4.48 105.19 107.95 1bjv n GLY 142 Ca 0.59 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1bjv n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bjv n ASN 143 N -3.56 3.10 -0.77 1.61 5.15 -0.23 -2.84 115.26 117.72 1bjv n ASN 143 Ca 0.13 1.19 0.07 0.00 -0.60 0.00 0.00 54.58 55.36 1bjv n ASN 143 Cb 0.44 -1.54 0.18 0.00 -0.53 0.00 0.00 39.78 38.33 1bjv n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1bjv n THR 144 N 0.22 0.93 -4.86 -0.44 -2.24 -0.36 -0.94 114.28 106.59 1bjv n THR 144 Ca 0.04 -0.97 -0.26 0.00 -2.27 0.00 0.00 64.05 60.59 1bjv n THR 144 Cb 0.38 0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 69.00 1bjv n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bjv s LYS 145 N -1.01 1.68 0.29 -0.78 1.02 -1.26 -4.36 119.74 115.32 1bjv s LYS 145 Ca 0.28 -0.63 0.17 0.00 0.02 0.00 0.00 55.97 55.80 1bjv s LYS 145 Cb 0.15 -1.52 0.09 0.00 -0.52 0.00 0.00 37.83 36.03 1bjv s LYS 145 CO 0.19 0.31 1.41 0.66 -0.92 0.00 0.00 175.35 177.00 1bjv h SER 146 N 6.03 0.00 -3.39 2.83 4.64 -1.94 -3.41 113.55 118.31 1bjv h SER 146 Ca -0.34 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.43 1bjv h SER 146 Cb 1.16 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.86 1bjv h SER 146 CO 0.48 0.41 -0.78 -0.44 -0.87 0.00 0.00 176.83 175.64 1bjv s SER 147 N -6.34 3.11 0.00 4.97 0.01 -1.26 -4.76 113.70 109.43 1bjv s SER 147 Ca 0.04 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1bjv s SER 147 Cb 0.07 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1bjv s SER 147 CO 0.74 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.74 1bjv n GLY 148 N 4.91 -1.69 2.77 3.44 0.00 -1.26 -5.02 105.19 108.34 1bjv n GLY 148 Ca -0.10 -2.22 -0.15 0.00 0.00 0.00 0.00 46.02 43.54 1bjv n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bjv s THR 149 N -0.91 -0.07 -0.19 2.61 2.01 -1.26 -4.63 115.64 113.21 1bjv s THR 149 Ca 0.00 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.18 1bjv s THR 149 Cb 0.00 -0.10 0.09 0.00 0.01 0.00 0.00 72.50 72.50 1bjv s THR 149 CO 0.00 0.10 0.38 -0.55 -0.69 0.00 0.00 174.62 173.86 1bjv s SER 150 N 1.20 -0.05 -0.23 3.53 0.15 -1.26 -4.98 113.70 112.06 1bjv s SER 150 Ca -0.08 0.79 -0.09 0.00 0.70 0.00 0.00 55.95 57.28 1bjv s SER 150 Cb -0.13 1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 65.32 1bjv s SER 150 CO -0.03 -0.24 0.11 -0.31 1.20 0.00 0.00 173.24 173.97 1bjv s TYR 151 N 2.56 3.21 0.67 3.44 1.51 -1.26 -1.22 117.35 126.26 1bjv s TYR 151 Ca 0.01 -0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.93 1bjv s TYR 151 Cb -0.13 -2.23 -0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1bjv s TYR 151 CO -0.12 -0.07 1.05 -1.25 -1.11 0.00 0.00 175.55 174.05 1bjv s PRO 152 N 1.15 3.09 -0.04 -1.71 0.04 -1.26 -4.99 135.00 131.29 1bjv s PRO 152 Ca 0.06 0.94 0.08 0.00 0.04 0.00 0.00 61.00 62.12 1bjv s PRO 152 Cb -0.14 -2.01 -0.24 0.00 0.04 0.00 0.00 34.50 32.15 1bjv s PRO 152 CO 0.04 -0.98 0.68 -0.44 0.04 0.00 0.00 177.00 176.35 1bjv h ASP 153 N -0.53 0.10 -2.34 6.66 3.32 -1.94 -3.47 116.42 118.22 1bjv h ASP 153 Ca -0.44 -0.20 -0.46 0.00 0.02 0.00 0.00 57.03 55.94 1bjv h ASP 153 Cb 1.21 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1bjv h ASP 153 CO 0.58 1.18 -0.36 0.68 -1.72 0.00 0.00 179.24 179.59 1bjv s VAL 154 N -2.60 5.18 0.15 -1.35 -7.23 -1.26 -1.55 120.40 111.74 1bjv s VAL 154 Ca -0.07 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 1bjv s VAL 154 Cb 0.08 -3.85 -0.08 0.00 0.56 0.00 0.00 36.38 33.09 1bjv s VAL 154 CO 0.82 -0.38 1.26 -0.22 -0.31 0.00 0.00 175.10 176.26 1bjv s LEU 155 N -4.07 4.41 0.17 1.32 2.96 -1.24 -4.84 118.68 117.39 1bjv s LEU 155 Ca 0.36 2.25 0.05 0.00 -0.22 0.00 0.00 54.13 56.57 1bjv s LEU 155 Cb -0.09 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1bjv s LEU 155 CO 0.31 -0.48 0.11 -0.54 -1.32 0.00 0.00 176.35 174.43 1bjv s LYS 156 N 0.28 2.82 0.07 1.98 -0.14 -0.97 -1.86 119.74 121.93 1bjv s LYS 156 Ca 0.57 -0.91 0.03 0.00 -1.36 0.00 0.00 55.97 54.30 1bjv s LYS 156 Cb -0.34 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.19 1bjv s LYS 156 CO 0.34 0.48 -0.09 0.00 -0.76 0.00 0.00 175.35 175.32 1bjv s LEU 158 N -2.13 0.76 -0.13 0.00 2.96 -0.10 -0.73 118.68 119.31 1bjv s LEU 158 Ca -0.00 0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 54.14 1bjv s LEU 158 Cb -0.05 0.54 -0.05 0.00 0.50 0.00 0.00 46.19 47.13 1bjv s LEU 158 CO -0.00 -0.13 0.38 -0.54 -1.32 0.00 0.00 176.35 174.73 1bjv s LYS 159 N 0.96 4.25 -0.08 1.98 1.02 -1.26 -0.73 119.74 125.87 1bjv s LYS 159 Ca -0.07 0.27 -0.12 0.00 0.02 0.00 0.00 55.97 56.07 1bjv s LYS 159 Cb -0.09 -3.41 0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1bjv s LYS 159 CO -0.05 0.25 0.31 0.00 -0.92 0.00 0.00 175.35 174.94 1bjv s ALA 160 N 0.37 -0.78 0.41 5.17 0.00 -0.05 -4.93 121.76 121.94 1bjv s ALA 160 Ca 0.21 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1bjv s ALA 160 Cb -0.14 -0.31 -0.10 0.00 0.00 0.00 0.00 23.12 22.56 1bjv s ALA 160 CO 0.07 -0.19 0.90 -1.25 0.00 0.00 0.00 175.76 175.29 1bjv s PRO 161 N -0.37 4.14 0.19 0.00 0.04 -1.26 -0.31 135.00 137.42 1bjv s PRO 161 Ca -0.05 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 1bjv s PRO 161 Cb -0.03 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 1bjv s PRO 161 CO 0.02 -0.00 1.19 0.42 0.04 0.00 0.00 177.00 178.66 1bjv s ILE 162 N -2.17 3.60 0.32 0.56 -1.09 -0.20 -1.31 121.20 120.89 1bjv s ILE 162 Ca 0.60 1.35 0.01 0.00 -2.23 0.00 0.00 60.65 60.37 1bjv s ILE 162 Cb -0.09 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1bjv s ILE 162 CO 0.16 0.22 0.51 -0.76 -1.23 0.00 0.00 174.94 173.84 1bjv s LEU 163 N -0.29 4.07 0.68 2.97 1.02 -0.48 -0.57 118.68 126.09 1bjv s LEU 163 Ca 0.52 0.42 -0.16 0.00 0.02 0.00 0.00 54.13 54.93 1bjv s LEU 163 Cb -0.32 -3.26 0.01 0.00 0.02 0.00 0.00 46.19 42.64 1bjv s LEU 163 CO 0.37 -0.24 1.17 -0.94 0.02 0.00 0.00 176.35 176.73 1bjv s SER 164 N -3.89 4.69 0.29 2.29 1.04 -1.26 -4.58 113.70 112.28 1bjv s SER 164 Ca 0.39 2.24 -0.02 0.00 0.48 0.00 0.00 55.95 59.04 1bjv s SER 164 Cb -0.10 -2.58 0.43 0.00 0.10 0.00 0.00 66.02 63.88 1bjv s SER 164 CO 0.34 -1.92 1.94 -0.78 0.98 0.00 0.00 173.24 173.80 1bjv h ASP 165 N 0.04 0.92 -0.33 7.02 3.58 -1.98 -1.77 116.42 123.91 1bjv h ASP 165 Ca -0.48 -0.05 -0.11 0.00 0.42 0.00 0.00 57.03 56.81 1bjv h ASP 165 Cb 1.28 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 1bjv h ASP 165 CO 0.52 0.70 -0.19 0.77 -2.88 0.00 0.00 179.24 178.17 1bjv h SER 166 N 1.07 0.81 0.91 2.28 4.64 -1.98 -0.93 113.55 120.33 1bjv h SER 166 Ca 0.28 -0.28 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1bjv h SER 166 Cb -0.05 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 1bjv h SER 166 CO -0.05 0.98 -0.57 0.77 -0.87 0.00 0.00 176.83 177.09 1bjv h SER 167 N 0.70 0.00 0.28 4.97 4.64 -1.74 0.18 113.55 122.58 1bjv h SER 167 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1bjv h SER 167 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1bjv h SER 167 CO 0.05 0.57 -0.13 0.00 -0.87 0.00 0.00 176.83 176.45 1bjv h LYS 169 N -0.60 0.26 -0.33 0.00 1.57 -1.12 -0.37 116.57 115.98 1bjv h LYS 169 Ca -0.04 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 1bjv h LYS 169 Cb 0.43 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1bjv h LYS 169 CO 0.06 0.35 -0.34 0.77 -0.57 0.00 0.00 179.45 179.73 1bjv h SER 170 N 0.25 0.77 -0.04 0.86 0.02 -0.72 -2.05 113.55 112.63 1bjv h SER 170 Ca 0.05 -0.32 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 1bjv h SER 170 Cb 0.31 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1bjv h SER 170 CO 0.02 1.04 -0.46 0.00 -1.14 0.00 0.00 176.83 176.29 1bjv h ALA 171 N 1.01 0.78 -2.23 3.77 0.00 -0.54 -3.37 119.26 118.68 1bjv h ALA 171 Ca 0.06 -0.47 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 1bjv h ALA 171 Cb 0.87 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.15 1bjv h ALA 171 CO 0.08 0.66 -0.81 0.66 0.00 0.00 0.00 179.25 179.84 1bjv n TYR 172 N -4.00 1.80 -1.75 0.00 4.01 -0.19 -4.92 117.16 112.10 1bjv n TYR 172 Ca -0.02 -3.89 -0.42 0.00 -0.16 0.00 0.00 57.90 53.41 1bjv n TYR 172 Cb 0.55 -0.42 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 1bjv n TYR 172 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1bjv n PRO 173 N 1.32 2.68 -1.01 -0.72 -0.04 -0.78 -2.56 135.00 133.90 1bjv n PRO 173 Ca 0.26 0.95 -0.00 0.00 -0.04 0.00 0.00 63.50 64.67 1bjv n PRO 173 Cb 0.45 -2.73 -0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1bjv n PRO 173 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bjv n GLY 174 N 2.00 0.38 0.00 0.55 0.00 -1.26 -4.85 105.19 102.01 1bjv n GLY 174 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1bjv n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bjv n GLN 175 N -1.89 2.24 -3.22 1.61 6.02 -1.06 -4.99 117.38 116.08 1bjv n GLN 175 Ca -0.00 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.57 1bjv n GLN 175 Cb 0.15 -0.86 -0.08 0.00 1.02 0.00 0.00 30.24 30.47 1bjv n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bjv s ILE 176 N -1.74 5.00 0.59 5.09 -1.09 -1.26 -5.02 121.20 122.78 1bjv s ILE 176 Ca -0.00 0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 1bjv s ILE 176 Cb 0.01 -3.98 0.11 0.00 -1.58 0.00 0.00 42.46 37.02 1bjv s ILE 176 CO 0.04 -0.22 0.81 0.35 -1.23 0.00 0.00 174.94 174.69 1bjv n THR 177 N 5.44 0.00 1.26 2.92 -2.24 -1.26 -4.97 114.28 115.43 1bjv n THR 177 Ca -0.04 -1.38 0.10 0.00 -2.27 0.00 0.00 64.05 60.46 1bjv n THR 177 Cb 0.49 -0.90 0.61 0.00 -2.10 0.00 0.00 70.33 68.42 1bjv n THR 177 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bjv n SER 178 N -2.84 0.00 -1.16 3.42 3.41 -1.26 -2.66 113.62 112.53 1bjv n SER 178 Ca 0.14 -0.54 0.05 0.00 -0.26 0.00 0.00 58.87 58.25 1bjv n SER 178 Cb 0.50 -0.05 0.27 0.00 -0.26 0.00 0.00 64.21 64.67 1bjv n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bjv n ASN 179 N -1.05 3.98 -3.91 4.04 3.02 -1.26 -4.93 115.26 115.15 1bjv n ASN 179 Ca 0.15 -3.14 -0.11 0.00 -0.03 0.00 0.00 54.58 51.45 1bjv n ASN 179 Cb 0.09 -0.60 -0.13 0.00 -0.61 0.00 0.00 39.78 38.54 1bjv n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bjv s MET 180 N -2.91 0.14 0.06 3.52 -1.94 -1.09 -1.03 119.30 116.06 1bjv s MET 180 Ca 0.45 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1bjv s MET 180 Cb 0.37 0.05 -0.04 0.00 2.01 0.00 0.00 34.83 37.22 1bjv s MET 180 CO 0.09 -0.02 -0.05 -0.59 -0.01 0.00 0.00 175.02 174.44 1bjv s PHE 181 N -0.61 0.63 0.18 -0.03 -0.71 -0.27 -4.78 117.98 112.37 1bjv s PHE 181 Ca -0.07 -0.92 0.01 0.00 -1.04 0.00 0.00 56.93 54.91 1bjv s PHE 181 Cb -0.04 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1bjv s PHE 181 CO -0.00 -0.26 0.33 0.00 -1.34 0.00 0.00 175.22 173.95 1bjv s ALA 183 N -1.81 -0.81 0.00 0.00 0.00 -0.83 -1.38 121.76 116.94 1bjv s ALA 183 Ca 0.36 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1bjv s ALA 183 Cb -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1bjv s ALA 183 CO 0.29 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1bjv n GLY 184 N 2.18 0.58 2.67 0.00 0.00 -0.43 -3.05 105.19 107.15 1bjv n GLY 184 Ca -0.17 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 1bjv n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bjv s TYR 184 N -4.00 0.06 -0.32 1.61 2.02 -1.26 -4.30 117.35 111.16 1bjv s TYR 184 Ca 0.00 0.13 0.23 0.00 -0.37 0.00 0.00 57.07 57.06 1bjv s TYR 184 Cb 0.00 -0.52 1.11 0.00 -0.40 0.00 0.00 41.96 42.15 1bjv s TYR 184 CO 0.00 -0.30 1.71 1.28 -1.57 0.00 0.00 175.55 176.66 1bjv n LEU 185 N 5.30 0.65 0.04 -1.29 4.77 -1.26 -1.31 117.00 123.90 1bjv n LEU 185 Ca -0.04 0.72 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 1bjv n LEU 185 Cb 0.50 -0.71 0.46 0.00 -2.33 0.00 0.00 43.42 41.34 1bjv n LEU 185 CO 0.07 -0.76 0.85 -0.62 -1.33 0.00 0.00 177.39 175.60 1bjv n GLU 186 N -2.29 0.08 0.00 3.23 1.02 -1.26 -0.56 120.64 120.86 1bjv n GLU 186 Ca 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1bjv n GLU 186 Cb 0.14 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1bjv n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bjv n GLY 186 N 0.71 -2.17 2.15 0.62 0.00 -0.42 -4.30 105.19 101.79 1bjv n GLY 186 Ca 0.05 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1bjv n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjv n GLY 187 N -0.28 3.12 2.76 -0.02 0.00 -0.07 -4.90 105.19 105.80 1bjv n GLY 187 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1bjv n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjv s LYS 188 N -0.36 0.03 0.06 1.61 1.02 -1.26 -3.79 119.74 117.05 1bjv s LYS 188 Ca 0.00 0.39 -0.27 0.00 0.02 0.00 0.00 55.97 56.11 1bjv s LYS 188 Cb 0.00 -0.65 0.09 0.00 -0.52 0.00 0.00 37.83 36.75 1bjv s LYS 188 CO 0.00 -0.40 1.00 0.34 -0.92 0.00 0.00 175.35 175.37 1bjv s ASP 189 N 2.25 -0.21 0.87 2.83 -1.08 -0.74 -4.35 116.67 116.22 1bjv s ASP 189 Ca 0.04 -0.22 -0.11 0.00 -0.52 0.00 0.00 52.55 51.73 1bjv s ASP 189 Cb -0.13 0.39 0.16 0.00 -1.46 0.00 0.00 42.92 41.88 1bjv s ASP 189 CO -0.06 -0.70 1.20 -0.94 0.52 0.00 0.00 175.17 175.19 1bjv s SER 190 N -2.76 3.70 0.27 -0.34 1.04 -1.26 -0.83 113.70 113.52 1bjv s SER 190 Ca 0.10 0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.62 1bjv s SER 190 Cb -0.00 -0.41 0.04 0.00 0.10 0.00 0.00 66.02 65.75 1bjv s SER 190 CO -0.02 -2.34 0.53 0.00 0.98 0.00 0.00 173.24 172.38 1bjv n GLN 192 N -0.38 1.73 0.00 0.00 3.00 -1.26 -1.32 117.38 119.15 1bjv n GLN 192 Ca -0.05 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 1bjv n GLN 192 Cb 0.42 -2.17 0.00 0.00 0.00 0.00 0.00 30.24 28.49 1bjv n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bjv n GLY 193 N 1.71 3.32 0.20 1.08 0.00 -1.26 -1.07 105.19 109.17 1bjv n GLY 193 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1bjv n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bjv h ASP 194 N 0.00 0.00 -1.34 1.61 3.32 -1.51 -3.32 116.42 115.18 1bjv h ASP 194 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1bjv h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1bjv h ASP 194 CO 0.00 0.03 -0.40 -1.20 -1.72 0.00 0.00 179.24 175.95 1bjv n SER 195 N -3.03 -0.74 0.00 6.45 7.64 -1.25 -1.95 113.62 120.74 1bjv n SER 195 Ca 0.03 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1bjv n SER 195 Cb 0.54 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1bjv n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bjv n GLY 196 N 1.84 2.74 3.92 0.23 0.00 -0.13 -0.30 105.19 113.50 1bjv n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1bjv n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bjv s GLY 197 N -1.90 1.72 0.35 -0.02 0.00 -0.82 -3.43 107.32 103.22 1bjv s GLY 197 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 44.72 43.51 1bjv s GLY 197 CO 0.00 -0.34 0.84 2.56 0.00 0.00 0.00 173.10 176.16 1bjv s PRO 198 N -5.77 4.20 -0.22 2.90 0.04 -1.26 -1.65 135.00 133.23 1bjv s PRO 198 Ca 0.70 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 1bjv s PRO 198 Cb -0.06 -2.44 0.07 0.00 0.04 0.00 0.00 34.50 32.11 1bjv s PRO 198 CO 0.51 0.13 0.03 0.08 0.04 0.00 0.00 177.00 177.79 1bjv s VAL 199 N -1.96 0.78 -0.11 -0.36 1.01 -0.86 -3.14 120.40 115.77 1bjv s VAL 199 Ca 0.55 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1bjv s VAL 199 Cb -0.12 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1bjv s VAL 199 CO 0.17 -0.27 -0.14 -0.69 0.00 0.00 0.00 175.10 174.18 1bjv s VAL 200 N 1.72 3.03 -0.09 2.92 1.01 -0.76 -1.20 120.40 127.03 1bjv s VAL 200 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1bjv s VAL 200 Cb -0.17 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1bjv s VAL 200 CO -0.11 0.54 -0.08 0.00 0.00 0.00 0.00 175.10 175.46 1bjv n SER 202 N 4.64 -3.54 -0.22 0.00 7.64 -1.26 -1.45 113.62 119.43 1bjv n SER 202 Ca -0.15 -0.88 -0.03 0.00 1.01 0.00 0.00 58.87 58.82 1bjv n SER 202 Cb 0.50 -3.44 -0.01 0.00 -1.01 0.00 0.00 64.21 60.25 1bjv n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bjv n GLY 203 N -1.62 0.59 3.22 0.23 0.00 -1.26 -5.02 105.19 101.33 1bjv n GLY 203 Ca -0.01 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1bjv n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjv s LYS 204 N -1.48 1.74 -0.40 1.61 -0.14 -0.53 -3.99 119.74 116.54 1bjv s LYS 204 Ca 0.00 -0.75 -0.29 0.00 -1.36 0.00 0.00 55.97 53.57 1bjv s LYS 204 Cb 0.00 -1.67 0.01 0.00 -1.68 0.00 0.00 37.83 34.49 1bjv s LYS 204 CO 0.00 0.44 1.47 -1.17 -0.76 0.00 0.00 175.35 175.33 1bjv s LEU 209 N -0.46 3.57 -0.02 3.17 2.96 -0.03 -1.16 118.68 126.71 1bjv s LEU 209 Ca 0.07 0.89 0.13 0.00 -0.22 0.00 0.00 54.13 55.00 1bjv s LEU 209 Cb -0.08 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.86 1bjv s LEU 209 CO -0.01 -1.48 0.29 0.00 -1.32 0.00 0.00 176.35 173.84 1bjv n GLN 210 N 8.14 0.41 -4.05 1.98 1.13 -0.34 -4.01 117.38 120.64 1bjv n GLN 210 Ca 0.17 -0.12 -0.10 0.00 -1.94 0.00 0.00 57.00 55.01 1bjv n GLN 210 Cb 0.48 -1.32 -0.08 0.00 0.11 0.00 0.00 30.24 29.43 1bjv n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1bjv s GLY 211 N -3.54 0.75 -0.03 1.08 0.00 -0.84 -1.80 107.32 102.94 1bjv s GLY 211 Ca -0.05 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.55 1bjv s GLY 211 CO 0.55 -1.03 -0.12 -0.42 0.00 0.00 0.00 173.10 172.09 1bjv s ILE 212 N -4.02 1.00 -0.07 0.90 1.01 -1.08 -2.02 121.20 116.91 1bjv s ILE 212 Ca 0.23 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 1bjv s ILE 212 Cb 0.04 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1bjv s ILE 212 CO 0.03 0.30 1.60 -0.69 0.00 0.00 0.00 174.94 176.19 1bjv s VAL 213 N 0.17 3.67 0.15 2.92 1.01 -0.66 -1.32 120.40 126.35 1bjv s VAL 213 Ca -0.04 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1bjv s VAL 213 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1bjv s VAL 213 CO 0.01 -0.07 0.00 -0.24 0.00 0.00 0.00 175.10 174.80 1bjv n SER 214 N 7.06 0.80 -2.88 3.32 2.88 -1.05 -0.95 113.62 122.80 1bjv n SER 214 Ca 0.17 0.23 -0.11 0.00 -1.33 0.00 0.00 58.87 57.82 1bjv n SER 214 Cb 0.43 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1bjv n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1bjv n TRP 215 N -3.49 -2.01 0.00 0.66 4.27 -0.65 -4.95 117.44 111.26 1bjv n TRP 215 Ca 0.00 -2.07 0.00 0.00 -3.89 0.00 0.00 57.50 51.54 1bjv n TRP 215 Cb 0.00 0.78 0.00 0.00 -1.36 0.00 0.00 31.31 30.73 1bjv n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1bjv n GLY 216 N -0.56 2.04 3.53 -1.67 0.00 -1.26 -0.33 105.19 106.94 1bjv n GLY 216 Ca -0.05 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1bjv n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bjv s SER 217 N 0.00 6.37 0.53 1.61 0.15 -1.26 -4.87 113.70 116.23 1bjv s SER 217 Ca 0.00 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1bjv s SER 217 Cb 0.00 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1bjv s SER 217 CO 0.00 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.15 1bjv n GLY 219 N 5.02 -0.32 2.83 9.45 0.00 -1.26 -4.70 105.19 116.21 1bjv n GLY 219 Ca 0.01 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1bjv n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bjv n ALA 221 N 3.72 -0.47 -2.22 0.00 0.00 -1.26 -4.52 120.51 115.76 1bjv n ALA 221 Ca -0.21 0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 1bjv n ALA 221 Cb 0.54 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 1bjv n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bjv s GLN 221 N -4.42 3.72 0.06 0.00 -1.52 -1.26 -0.89 119.66 115.36 1bjv s GLN 221 Ca 0.00 0.39 -0.31 0.00 -1.95 0.00 0.00 55.36 53.50 1bjv s GLN 221 Cb 0.00 -2.40 -0.08 0.00 -0.22 0.00 0.00 33.01 30.31 1bjv s GLN 221 CO 0.00 -0.06 1.69 0.21 -0.25 0.00 0.00 175.29 176.88 1bjv s LYS 222 N -4.02 4.19 -0.26 2.91 2.20 -1.26 -2.22 119.74 121.27 1bjv s LYS 222 Ca 0.50 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.48 1bjv s LYS 222 Cb -0.10 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1bjv s LYS 222 CO 0.34 -0.77 0.00 0.09 -0.36 0.00 0.00 175.35 174.65 1bjv n ASN 223 N 5.86 -3.96 -3.57 1.43 3.02 0.28 -4.93 115.26 113.40 1bjv n ASN 223 Ca 0.16 0.06 -0.27 0.00 -0.03 0.00 0.00 54.58 54.51 1bjv n ASN 223 Cb 0.40 -1.67 -0.10 0.00 -0.61 0.00 0.00 39.78 37.80 1bjv n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1bjv n LYS 224 N -2.05 1.25 -1.33 3.52 4.01 -0.94 -4.73 118.16 117.88 1bjv n LYS 224 Ca -0.02 -3.92 -0.29 0.00 -0.51 0.00 0.00 58.31 53.56 1bjv n LYS 224 Cb 0.19 -1.94 0.15 0.00 -0.51 0.00 0.00 35.03 32.92 1bjv n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1bjv s PRO 225 N -1.08 1.00 0.44 1.97 0.04 -1.26 -4.32 135.00 131.78 1bjv s PRO 225 Ca 0.31 0.52 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 1bjv s PRO 225 Cb 0.04 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 1bjv s PRO 225 CO -0.15 -2.35 1.16 0.20 0.04 0.00 0.00 177.00 175.90 1bjv s GLY 226 N -3.68 2.79 -0.05 0.56 0.00 -1.17 -4.61 107.32 101.17 1bjv s GLY 226 Ca 0.64 0.92 0.05 0.00 0.00 0.00 0.00 44.72 46.33 1bjv s GLY 226 CO 0.56 1.39 -0.18 0.14 0.00 0.00 0.00 173.10 175.01 1bjv s VAL 227 N -1.52 2.77 0.03 1.40 1.01 0.56 -1.97 120.40 122.67 1bjv s VAL 227 Ca 0.61 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1bjv s VAL 227 Cb -0.28 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1bjv s VAL 227 CO 0.35 0.59 -0.13 -0.31 0.00 0.00 0.00 175.10 175.59 1bjv s TYR 228 N -0.64 1.18 0.29 5.22 2.02 0.27 -1.64 117.35 124.04 1bjv s TYR 228 Ca 0.10 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 56.19 1bjv s TYR 228 Cb -0.11 -0.71 -0.10 0.00 -0.40 0.00 0.00 41.96 40.64 1bjv s TYR 228 CO 0.00 0.02 1.19 0.99 -1.57 0.00 0.00 175.55 176.18 1bjv s THR 229 N -0.72 3.21 -0.87 -0.71 2.01 -0.43 -1.12 115.64 117.01 1bjv s THR 229 Ca 0.02 1.19 -0.19 0.00 0.31 0.00 0.00 61.69 63.02 1bjv s THR 229 Cb -0.07 -3.76 0.13 0.00 0.01 0.00 0.00 72.50 68.81 1bjv s THR 229 CO 0.01 0.27 1.05 -0.75 -0.69 0.00 0.00 174.62 174.51 1bjv s LYS 230 N -1.40 3.51 0.46 4.92 2.20 -0.20 -2.64 119.74 126.58 1bjv s LYS 230 Ca 0.47 -1.67 0.12 0.00 -0.36 0.00 0.00 55.97 54.53 1bjv s LYS 230 Cb -0.35 -4.76 1.05 0.00 -1.51 0.00 0.00 37.83 32.26 1bjv s LYS 230 CO 0.45 -1.73 2.08 0.28 -0.36 0.00 0.00 175.35 176.06 1bjv h VAL 231 N 5.78 1.02 -0.13 4.02 2.07 -1.67 -2.34 116.25 125.01 1bjv h VAL 231 Ca 0.07 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1bjv h VAL 231 Cb 1.03 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1bjv h VAL 231 CO 1.09 0.06 0.14 0.00 0.02 0.00 0.00 177.57 178.88 1bjv n ASN 233 N -3.82 0.56 -0.46 0.00 3.02 -0.88 -3.33 115.26 110.35 1bjv n ASN 233 Ca 0.00 0.62 0.04 0.00 -0.03 0.00 0.00 54.58 55.22 1bjv n ASN 233 Cb 0.25 -0.75 0.09 0.00 -0.61 0.00 0.00 39.78 38.77 1bjv n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1bjv n TYR 234 N -2.10 0.24 -0.16 3.10 4.01 0.23 -4.72 117.16 117.74 1bjv n TYR 234 Ca 0.03 -0.32 -0.08 0.00 -0.16 0.00 0.00 57.90 57.37 1bjv n TYR 234 Cb 0.25 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 1bjv n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1bjv h VAL 235 N 1.67 1.20 -0.79 -0.72 2.07 -1.57 -0.05 116.25 118.06 1bjv h VAL 235 Ca 0.00 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1bjv h VAL 235 Cb 0.57 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1bjv h VAL 235 CO 0.00 0.22 0.32 0.77 0.02 0.00 0.00 177.57 178.91 1bjv h SER 236 N 0.61 1.08 -0.41 0.57 4.64 -1.87 -0.65 113.55 117.53 1bjv h SER 236 Ca 0.16 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1bjv h SER 236 Cb 0.16 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1bjv h SER 236 CO -0.02 0.95 0.07 -0.25 -0.87 0.00 0.00 176.83 176.71 1bjv h TRP 237 N 1.15 0.72 -0.24 4.77 7.01 -1.78 -0.01 115.95 127.57 1bjv h TRP 237 Ca 0.27 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1bjv h TRP 237 Cb 0.20 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 1bjv h TRP 237 CO 0.02 0.70 0.14 0.82 -2.79 0.00 0.00 178.44 177.33 1bjv h ILE 238 N 0.53 1.09 -0.42 2.65 2.04 -0.68 -0.60 117.51 122.11 1bjv h ILE 238 Ca 0.12 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1bjv h ILE 238 Cb 0.37 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1bjv h ILE 238 CO 0.01 0.09 0.09 0.11 0.00 0.00 0.00 178.15 178.45 1bjv h LYS 239 N 0.30 0.68 -0.48 2.37 1.79 -0.94 -0.54 116.57 119.75 1bjv h LYS 239 Ca 0.09 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.34 1bjv h LYS 239 Cb 0.02 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 1bjv h LYS 239 CO -0.02 0.70 0.11 1.96 -1.08 0.00 0.00 179.45 181.12 1bjv h GLN 240 N 0.55 0.78 -0.29 3.15 4.20 -0.95 0.74 115.11 123.29 1bjv h GLN 240 Ca 0.13 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1bjv h GLN 240 Cb 0.33 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1bjv h GLN 240 CO 0.00 0.77 0.06 1.15 -0.67 0.00 0.00 178.83 180.14 1bjv h THR 241 N 0.66 1.22 -0.27 -0.54 2.02 -0.90 -2.19 112.91 112.91 1bjv h THR 241 Ca 0.15 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1bjv h THR 241 Cb 0.35 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1bjv h THR 241 CO 0.00 0.24 0.02 0.40 0.37 0.00 0.00 175.52 176.56 1bjv h ILE 242 N 0.31 1.15 0.00 3.11 2.04 -0.96 -2.35 117.51 120.82 1bjv h ILE 242 Ca 0.09 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1bjv h ILE 242 Cb 0.30 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1bjv h ILE 242 CO 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 178.15 178.23 1bjv h ALA 243 N 1.64 1.19 -0.02 1.87 0.00 -0.23 -3.18 119.26 120.53 1bjv h ALA 243 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bjv h ALA 243 Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1bjv h ALA 243 CO 0.00 0.15 -0.09 0.43 0.00 0.00 0.00 179.25 179.74 1bjv n SER 244 N -3.51 2.32 0.00 0.00 7.64 -0.91 -5.08 113.62 114.08 1bjv n SER 244 Ca -0.01 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.62 1bjv n SER 244 Cb 0.27 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1bjv n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62