#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smf s VAL 17 N 0.00 4.68 -1.14 1.39 1.01 0.62 -4.20 120.40 122.76 1smf s VAL 17 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1smf s VAL 17 Cb 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1smf s VAL 17 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1smf n GLY 18 N 2.29 0.40 0.00 4.51 0.00 -1.24 -1.76 105.19 109.38 1smf n GLY 18 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1smf n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smf n GLY 19 N -1.18 2.55 3.18 -0.02 0.00 -1.26 -4.86 105.19 103.60 1smf n GLY 19 Ca -0.14 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 1smf n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1smf s TYR 20 N 1.32 0.96 -0.07 1.61 1.13 0.05 -4.93 117.35 117.42 1smf s TYR 20 Ca 0.00 -0.85 -0.30 0.00 -1.41 0.00 0.00 57.07 54.52 1smf s TYR 20 Cb 0.00 -0.54 -0.05 0.00 -1.10 0.00 0.00 41.96 40.27 1smf s TYR 20 CO 0.00 -0.09 1.58 0.99 -2.51 0.00 0.00 175.55 175.52 1smf s THR 21 N -3.36 3.70 0.20 -3.49 2.01 -1.26 -0.39 115.64 113.05 1smf s THR 21 Ca 0.11 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 62.85 1smf s THR 21 Cb 0.03 -3.55 0.12 0.00 0.01 0.00 0.00 72.50 69.11 1smf s THR 21 CO -0.03 -0.07 1.74 0.00 -0.69 0.00 0.00 174.62 175.56 1smf n GLY 23 N -1.28 2.45 3.76 0.00 0.00 -1.26 -4.81 105.19 104.04 1smf n GLY 23 Ca 0.07 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 1smf n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smf n ALA 24 N 1.75 2.57 -0.81 4.61 0.00 -1.26 -2.15 120.51 125.23 1smf n ALA 24 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1smf n ALA 24 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1smf n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1smf n ASN 25 N 1.49 -0.97 0.11 0.00 4.13 -1.26 -4.87 115.26 113.88 1smf n ASN 25 Ca 0.05 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.44 1smf n ASN 25 Cb 0.38 -1.38 0.43 0.00 -1.54 0.00 0.00 39.78 37.67 1smf n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1smf n THR 26 N -2.11 0.65 -3.35 3.41 -2.24 -0.91 -3.87 114.28 105.86 1smf n THR 26 Ca 0.00 -0.15 -0.26 0.00 -2.27 0.00 0.00 64.05 61.37 1smf n THR 26 Cb 0.05 -0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 67.47 1smf n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1smf n VAL 27 N -2.25 0.67 0.62 2.28 0.31 -1.26 -5.00 118.33 113.70 1smf n VAL 27 Ca 0.05 -4.52 0.07 0.00 -0.01 0.00 0.00 64.34 59.93 1smf n VAL 27 Cb 0.38 -2.01 0.34 0.00 -0.91 0.00 0.00 33.84 31.64 1smf n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1smf n PRO 28 N 1.34 0.14 0.01 5.55 -0.04 -1.25 -1.98 135.00 138.76 1smf n PRO 28 Ca 0.25 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 1smf n PRO 28 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1smf n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1smf n TYR 29 N -1.35 0.08 -1.96 0.54 0.18 -1.12 -1.44 117.16 112.09 1smf n TYR 29 Ca 0.06 0.02 -0.42 0.00 1.88 0.00 0.00 57.90 59.44 1smf n TYR 29 Cb 0.13 -0.23 -0.03 0.00 -0.38 0.00 0.00 39.34 38.83 1smf n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1smf s GLN 30 N -3.12 4.21 0.25 -3.48 2.00 -0.84 -0.80 119.66 117.88 1smf s GLN 30 Ca 0.05 2.29 0.10 0.00 -2.00 0.00 0.00 55.36 55.80 1smf s GLN 30 Cb 0.15 -3.55 -0.04 0.00 0.80 0.00 0.00 33.01 30.37 1smf s GLN 30 CO 0.83 -0.70 -0.09 0.14 -0.50 0.00 0.00 175.29 174.96 1smf s VAL 31 N 2.46 3.06 -0.15 1.34 -7.23 -0.26 -4.46 120.40 115.16 1smf s VAL 31 Ca 0.72 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 1smf s VAL 31 Cb -0.39 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1smf s VAL 31 CO 0.31 -0.31 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.22 1smf s SER 32 N -3.39 4.93 -0.20 4.85 0.15 -0.50 -2.01 113.70 117.53 1smf s SER 32 Ca 0.29 -0.08 -0.14 0.00 0.70 0.00 0.00 55.95 56.72 1smf s SER 32 Cb -0.07 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1smf s SER 32 CO 0.17 0.20 0.32 -0.76 1.20 0.00 0.00 173.24 174.36 1smf s LEU 33 N 0.21 4.17 -0.05 3.45 1.43 0.60 -0.73 118.68 127.76 1smf s LEU 33 Ca -0.01 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1smf s LEU 33 Cb -0.14 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1smf s LEU 33 CO 0.02 0.00 -0.20 0.21 0.23 0.00 0.00 176.35 176.62 1smf s ASN 34 N 0.88 2.48 -0.41 2.29 3.84 0.47 -1.72 114.94 122.77 1smf s ASN 34 Ca 0.16 -0.41 0.11 0.00 0.21 0.00 0.00 52.86 52.93 1smf s ASN 34 Cb -0.14 -0.67 0.39 0.00 -0.55 0.00 0.00 41.25 40.28 1smf s ASN 34 CO 0.06 0.19 0.91 -1.54 -2.79 0.00 0.00 177.10 173.93 1smf n SER 37 N 3.06 2.43 0.00 -4.21 3.41 -1.26 -0.87 113.62 116.18 1smf n SER 37 Ca -0.18 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.25 1smf n SER 37 Cb 0.53 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1smf n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1smf n GLY 38 N -0.06 0.87 3.55 5.00 0.00 -1.26 -4.97 105.19 108.32 1smf n GLY 38 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 1smf n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1smf s TYR 39 N -3.45 -0.28 -0.03 1.61 1.13 -1.26 -5.14 117.35 109.93 1smf s TYR 39 Ca 0.00 0.29 -0.30 0.00 -1.41 0.00 0.00 57.07 55.65 1smf s TYR 39 Cb 0.00 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 1smf s TYR 39 CO 0.00 -0.38 1.33 -1.58 -2.51 0.00 0.00 175.55 172.40 1smf s HIS 40 N -2.31 2.96 0.00 -3.49 5.65 -1.26 -4.17 115.29 112.68 1smf s HIS 40 Ca 0.04 0.96 0.00 0.00 0.25 0.00 0.00 55.06 56.31 1smf s HIS 40 Cb -0.01 -3.57 0.00 0.00 -1.18 0.00 0.00 32.58 27.82 1smf s HIS 40 CO -0.05 -2.03 0.00 1.97 -0.65 0.00 0.00 174.74 173.98 1smf n PHE 41 N 5.39 0.00 -3.58 3.88 1.16 -0.70 -5.00 117.46 118.62 1smf n PHE 41 Ca 0.12 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.58 1smf n PHE 41 Cb 0.45 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.27 1smf n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1smf n GLY 43 N 0.09 1.67 2.35 0.00 0.00 0.13 -0.29 105.19 109.14 1smf n GLY 43 Ca -0.17 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1smf n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smf n GLY 44 N 4.44 0.59 2.97 -0.02 0.00 -0.85 -3.93 105.19 108.40 1smf n GLY 44 Ca 0.01 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 1smf n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1smf s SER 45 N -2.60 1.20 -0.28 1.61 0.01 -0.05 -1.10 113.70 112.50 1smf s SER 45 Ca 0.16 -0.19 -0.24 0.00 1.31 0.00 0.00 55.95 57.00 1smf s SER 45 Cb -0.01 -0.45 -0.00 0.00 0.21 0.00 0.00 66.02 65.77 1smf s SER 45 CO 0.01 0.02 0.80 -0.22 0.41 0.00 0.00 173.24 174.26 1smf s LEU 46 N 0.50 4.08 -0.02 2.44 2.96 0.02 -0.88 118.68 127.78 1smf s LEU 46 Ca -0.08 0.83 0.18 0.00 -0.22 0.00 0.00 54.13 54.85 1smf s LEU 46 Cb -0.12 -3.12 -0.26 0.00 0.50 0.00 0.00 46.19 43.20 1smf s LEU 46 CO 0.01 -0.56 0.53 2.30 -1.32 0.00 0.00 176.35 177.31 1smf n ILE 47 N 5.40 0.00 -3.64 6.68 -5.35 -0.66 -0.72 119.36 121.08 1smf n ILE 47 Ca 0.04 -0.30 -0.07 0.00 -0.27 0.00 0.00 62.75 62.15 1smf n ILE 47 Cb 0.48 0.39 0.02 0.00 -1.74 0.00 0.00 39.64 38.80 1smf n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1smf n ASN 48 N -1.90 -1.76 0.14 7.28 2.04 -1.13 -4.50 115.26 115.43 1smf n ASN 48 Ca -0.01 -2.20 0.12 0.00 -0.44 0.00 0.00 54.58 52.05 1smf n ASN 48 Cb 0.41 2.93 0.52 0.00 -2.53 0.00 0.00 39.78 41.11 1smf n ASN 48 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1smf n SER 49 N -1.39 0.64 0.00 0.53 3.41 -1.26 -2.53 113.62 113.02 1smf n SER 49 Ca -0.06 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1smf n SER 49 Cb 0.46 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1smf n SER 49 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1smf n GLN 50 N -2.25 -0.38 -4.16 4.33 7.27 -1.26 0.17 117.38 121.10 1smf n GLN 50 Ca 0.01 -0.52 -0.16 0.00 0.07 0.00 0.00 57.00 56.41 1smf n GLN 50 Cb 0.17 -0.90 -0.14 0.00 2.41 0.00 0.00 30.24 31.78 1smf n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1smf s TRP 51 N -0.10 0.48 0.03 3.69 0.52 -1.05 -0.64 118.94 121.86 1smf s TRP 51 Ca 0.00 -0.10 0.07 0.00 0.02 0.00 0.00 56.10 56.10 1smf s TRP 51 Cb 0.00 -0.31 -0.03 0.00 -1.15 0.00 0.00 33.47 31.98 1smf s TRP 51 CO 0.00 -0.01 -0.21 0.08 0.02 0.00 0.00 176.95 176.83 1smf s VAL 52 N -0.15 2.57 -0.14 4.03 1.01 -0.41 -1.64 120.40 125.66 1smf s VAL 52 Ca 0.02 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 1smf s VAL 52 Cb -0.02 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1smf s VAL 52 CO -0.00 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 1smf s VAL 53 N -0.84 3.67 0.11 2.92 1.01 -0.06 -0.56 120.40 126.65 1smf s VAL 53 Ca 0.13 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1smf s VAL 53 Cb -0.10 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1smf s VAL 53 CO 0.03 0.51 0.11 -0.24 0.00 0.00 0.00 175.10 175.52 1smf n SER 54 N 3.41 -0.30 -4.79 3.32 2.88 0.18 -0.87 113.62 117.45 1smf n SER 54 Ca -0.18 -1.66 -0.39 0.00 -1.33 0.00 0.00 58.87 55.32 1smf n SER 54 Cb 0.53 0.63 -0.06 0.00 -0.75 0.00 0.00 64.21 64.55 1smf n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1smf s ALA 55 N -2.26 3.55 0.39 -1.46 0.00 -1.26 -0.73 121.76 119.99 1smf s ALA 55 Ca 0.11 0.05 0.12 0.00 0.00 0.00 0.00 51.96 52.24 1smf s ALA 55 Cb 0.00 -2.68 0.92 0.00 0.00 0.00 0.00 23.12 21.36 1smf s ALA 55 CO 0.08 0.32 1.90 0.00 0.00 0.00 0.00 175.76 178.06 1smf h ALA 56 N 4.88 1.95 0.00 0.00 0.00 -1.69 -1.29 119.26 123.12 1smf h ALA 56 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1smf h ALA 56 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1smf h ALA 56 CO 0.65 -0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.34 1smf n HIS 57 N -4.52 0.00 1.09 0.00 1.44 -1.26 -1.73 115.22 110.24 1smf n HIS 57 Ca 0.16 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.99 1smf n HIS 57 Cb 0.48 -0.18 0.38 0.00 0.12 0.00 0.00 29.99 30.79 1smf n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1smf n TYR 59 N -1.28 1.89 -3.56 0.00 9.36 -0.71 -4.99 117.16 117.87 1smf n TYR 59 Ca 0.08 0.53 -0.07 0.00 3.32 0.00 0.00 57.90 61.76 1smf n TYR 59 Cb 0.33 -2.39 -0.02 0.00 -0.63 0.00 0.00 39.34 36.63 1smf n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1smf s LYS 60 N -0.67 0.79 0.43 2.98 -2.85 -1.26 -5.15 119.74 114.01 1smf s LYS 60 Ca 0.67 -0.33 -0.19 0.00 -1.00 0.00 0.00 55.97 55.12 1smf s LYS 60 Cb -0.69 0.34 -0.10 0.00 -2.06 0.00 0.00 37.83 35.31 1smf s LYS 60 CO 0.53 -0.35 0.92 0.45 0.10 0.00 0.00 175.35 177.00 1smf s SER 61 N -2.53 6.86 -0.29 0.03 0.15 -1.26 -4.36 113.70 112.30 1smf s SER 61 Ca 0.07 1.61 -0.01 0.00 0.70 0.00 0.00 55.95 58.32 1smf s SER 61 Cb -0.01 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1smf s SER 61 CO -0.06 -0.38 0.24 0.61 1.20 0.00 0.00 173.24 174.85 1smf n GLY 62 N -0.77 0.37 3.74 9.45 0.00 -1.26 -5.02 105.19 111.70 1smf n GLY 62 Ca 0.06 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 1smf n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1smf s ILE 63 N -3.08 5.11 -0.14 -0.61 1.01 -1.26 -4.63 121.20 117.60 1smf s ILE 63 Ca 0.04 1.07 -0.02 0.00 0.00 0.00 0.00 60.65 61.74 1smf s ILE 63 Cb -0.02 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1smf s ILE 63 CO 0.17 0.35 -0.07 -1.58 0.00 0.00 0.00 174.94 173.80 1smf s GLN 64 N 0.40 3.52 -0.23 2.79 0.74 -0.05 -1.68 119.66 125.15 1smf s GLN 64 Ca 0.28 -0.58 -0.16 0.00 0.05 0.00 0.00 55.36 54.96 1smf s GLN 64 Cb -0.16 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 1smf s GLN 64 CO 0.13 0.26 0.41 0.08 -0.55 0.00 0.00 175.29 175.61 1smf s VAL 65 N 0.28 5.18 -0.29 1.34 1.01 0.68 -0.39 120.40 128.21 1smf s VAL 65 Ca -0.06 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 1smf s VAL 65 Cb -0.15 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.54 1smf s VAL 65 CO 0.04 0.21 -0.00 -0.13 0.00 0.00 0.00 175.10 175.22 1smf s ARG 66 N 1.62 2.66 0.21 2.72 0.52 0.09 -0.90 118.95 125.87 1smf s ARG 66 Ca 0.18 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.28 1smf s ARG 66 Cb -0.15 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 1smf s ARG 66 CO 0.09 -0.53 0.39 -0.51 0.02 0.00 0.00 175.30 174.75 1smf s LEU 67 N 1.32 4.23 -1.65 2.53 2.01 0.67 -1.41 118.68 126.38 1smf s LEU 67 Ca -0.02 0.34 0.00 0.00 0.01 0.00 0.00 54.13 54.46 1smf s LEU 67 Cb -0.18 -3.11 0.00 0.00 0.01 0.00 0.00 46.19 42.90 1smf s LEU 67 CO -0.01 -0.05 0.00 0.61 1.01 0.00 0.00 176.35 177.90 1smf n GLY 69 N -0.82 1.57 3.80 -3.19 0.00 -1.26 -1.34 105.19 103.95 1smf n GLY 69 Ca -0.05 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1smf n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smf s GLU 70 N -3.31 4.26 0.06 1.61 0.41 -1.26 -3.98 118.70 116.49 1smf s GLU 70 Ca 0.00 1.31 0.00 0.00 -0.41 0.00 0.00 54.97 55.87 1smf s GLU 70 Cb 0.00 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.91 1smf s GLU 70 CO 0.00 -0.02 0.00 -3.47 -0.49 0.00 0.00 175.26 171.28 1smf n ASP 71 N -0.20 0.15 -4.56 -0.19 2.03 -1.26 -4.76 116.55 107.76 1smf n ASP 71 Ca 0.05 0.10 -0.43 0.00 0.52 0.00 0.00 54.79 55.03 1smf n ASP 71 Cb 0.52 0.01 -0.04 0.00 -0.72 0.00 0.00 41.12 40.88 1smf n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1smf s ASN 72 N -4.83 6.47 0.00 1.67 3.84 -1.25 -2.57 114.94 118.27 1smf s ASN 72 Ca 0.00 0.03 0.22 0.00 0.21 0.00 0.00 52.86 53.32 1smf s ASN 72 Cb 0.00 -2.45 1.02 0.00 -0.55 0.00 0.00 41.25 39.27 1smf s ASN 72 CO 0.00 -1.09 1.71 2.30 -2.79 0.00 0.00 177.10 177.24 1smf n ILE 73 N 6.38 0.41 0.90 -5.21 -5.35 0.60 -2.90 119.36 114.19 1smf n ILE 73 Ca 0.05 0.10 0.10 0.00 -0.27 0.00 0.00 62.75 62.73 1smf n ILE 73 Cb 0.48 -0.73 -0.02 0.00 -1.74 0.00 0.00 39.64 37.63 1smf n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1smf n ASN 74 N -1.41 1.70 -4.10 7.28 3.02 -1.26 -4.95 115.26 115.54 1smf n ASN 74 Ca 0.08 -1.35 -0.22 0.00 -0.03 0.00 0.00 54.58 53.05 1smf n ASN 74 Cb 0.22 0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 39.81 1smf n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1smf s VAL 75 N -2.37 1.11 -0.35 2.41 1.01 -1.14 -5.09 120.40 115.98 1smf s VAL 75 Ca 0.15 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 1smf s VAL 75 Cb 0.16 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1smf s VAL 75 CO 0.56 0.32 1.01 -0.69 0.00 0.00 0.00 175.10 176.29 1smf s VAL 76 N -0.23 4.53 -0.05 2.92 1.01 -1.26 -4.74 120.40 122.58 1smf s VAL 76 Ca 0.04 1.47 0.10 0.00 0.00 0.00 0.00 61.98 63.58 1smf s VAL 76 Cb -0.06 -4.38 -0.16 0.00 0.00 0.00 0.00 36.38 31.78 1smf s VAL 76 CO -0.00 -0.52 0.25 -0.62 0.00 0.00 0.00 175.10 174.20 1smf n GLU 77 N 6.86 0.60 0.00 2.72 1.02 -1.26 -5.05 120.64 125.53 1smf n GLU 77 Ca 0.10 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1smf n GLU 77 Cb 0.48 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1smf n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1smf n GLY 78 N 1.85 3.23 1.61 0.62 0.00 -1.26 -5.02 105.19 106.23 1smf n GLY 78 Ca -0.02 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.59 1smf n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1smf n ASN 79 N 0.00 4.80 -4.78 1.61 3.02 -1.26 -4.97 115.26 113.68 1smf n ASN 79 Ca 0.00 -2.68 -0.34 0.00 -0.03 0.00 0.00 54.58 51.54 1smf n ASN 79 Cb 0.00 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.56 1smf n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1smf s GLU 80 N -2.31 3.16 -0.09 3.52 8.01 -1.26 -4.40 118.70 125.33 1smf s GLU 80 Ca 0.46 1.40 -0.04 0.00 0.01 0.00 0.00 54.97 56.80 1smf s GLU 80 Cb 0.34 -2.00 0.05 0.00 -4.31 0.00 0.00 34.13 28.21 1smf s GLU 80 CO 0.16 -0.97 0.18 -0.65 0.01 0.00 0.00 175.26 173.99 1smf s GLN 81 N -3.80 0.08 -0.31 1.61 -0.21 -0.45 -4.96 119.66 111.62 1smf s GLN 81 Ca 0.68 0.54 -0.09 0.00 0.02 0.00 0.00 55.36 56.51 1smf s GLN 81 Cb -0.20 -0.20 -0.00 0.00 1.00 0.00 0.00 33.01 33.61 1smf s GLN 81 CO 0.35 -0.25 0.13 -0.06 -2.12 0.00 0.00 175.29 173.34 1smf s PHE 82 N 1.94 3.17 -0.06 0.91 0.40 -1.26 -0.24 117.98 122.84 1smf s PHE 82 Ca -0.01 -0.69 0.01 0.00 -0.60 0.00 0.00 56.93 55.63 1smf s PHE 82 Cb -0.12 -2.33 0.02 0.00 0.51 0.00 0.00 43.02 41.10 1smf s PHE 82 CO -0.07 -0.49 -0.07 0.42 0.70 0.00 0.00 175.22 175.72 1smf s ILE 83 N 1.58 0.76 0.41 0.64 1.01 -0.08 -4.98 121.20 120.55 1smf s ILE 83 Ca 0.04 -0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.22 1smf s ILE 83 Cb -0.17 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.45 1smf s ILE 83 CO 0.05 0.29 1.22 -0.44 0.00 0.00 0.00 174.94 176.06 1smf s SER 84 N 1.10 6.37 0.15 3.58 0.01 -1.26 -0.23 113.70 123.41 1smf s SER 84 Ca -0.08 2.46 -0.30 0.00 1.31 0.00 0.00 55.95 59.34 1smf s SER 84 Cb -0.14 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.39 1smf s SER 84 CO -0.01 -0.79 1.23 0.00 0.41 0.00 0.00 173.24 174.08 1smf s ALA 85 N -1.37 3.45 -0.06 1.44 0.00 -0.68 -1.11 121.76 123.44 1smf s ALA 85 Ca 0.58 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 1smf s ALA 85 Cb -0.33 -3.44 -0.30 0.00 0.00 0.00 0.00 23.12 19.04 1smf s ALA 85 CO 0.42 -0.43 0.62 1.03 0.00 0.00 0.00 175.76 177.40 1smf h SER 86 N 5.82 0.58 -4.29 0.00 0.87 -0.79 -3.43 113.55 112.30 1smf h SER 86 Ca -0.44 -0.93 -0.16 0.00 -1.23 0.00 0.00 61.79 59.03 1smf h SER 86 Cb 1.21 -0.19 -0.24 0.00 -0.44 0.00 0.00 62.40 62.75 1smf h SER 86 CO 0.78 1.78 -0.46 -0.54 -0.53 0.00 0.00 176.83 177.87 1smf s LYS 87 N -2.56 0.37 -0.25 2.24 1.02 -1.17 -4.98 119.74 114.40 1smf s LYS 87 Ca -0.17 0.03 0.02 0.00 0.02 0.00 0.00 55.97 55.87 1smf s LYS 87 Cb 0.05 0.16 0.06 0.00 -0.52 0.00 0.00 37.83 37.59 1smf s LYS 87 CO 0.84 -0.07 -0.08 -1.12 -0.92 0.00 0.00 175.35 173.99 1smf s SER 88 N -0.50 4.18 -0.52 2.83 0.01 -1.26 -0.86 113.70 117.58 1smf s SER 88 Ca -0.06 -1.30 -0.15 0.00 1.31 0.00 0.00 55.95 55.75 1smf s SER 88 Cb -0.04 -1.38 0.12 0.00 0.21 0.00 0.00 66.02 64.93 1smf s SER 88 CO 0.01 -0.21 0.46 -0.63 0.41 0.00 0.00 173.24 173.28 1smf s ILE 89 N 1.23 5.10 0.27 1.44 1.01 0.63 -4.97 121.20 125.91 1smf s ILE 89 Ca -0.07 -1.43 -0.28 0.00 0.00 0.00 0.00 60.65 58.87 1smf s ILE 89 Cb -0.19 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 1smf s ILE 89 CO -0.06 -0.79 0.92 -0.69 0.00 0.00 0.00 174.94 174.32 1smf s VAL 90 N 1.58 4.16 0.06 2.92 1.01 -1.26 -0.80 120.40 128.08 1smf s VAL 90 Ca 0.03 1.93 -0.34 0.00 0.00 0.00 0.00 61.98 63.61 1smf s VAL 90 Cb -0.28 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 31.79 1smf s VAL 90 CO 0.03 0.35 1.71 1.57 0.00 0.00 0.00 175.10 178.76 1smf n HIS 91 N 1.11 2.31 0.28 5.22 -0.00 -0.77 -4.85 115.22 118.52 1smf n HIS 91 Ca -0.01 0.14 0.18 0.00 0.46 0.00 0.00 57.72 58.49 1smf n HIS 91 Cb 0.48 -2.60 0.94 0.00 -0.12 0.00 0.00 29.99 28.70 1smf n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1smf h PRO 92 N 7.32 0.00 -0.42 1.57 0.13 -1.93 -0.59 132.00 138.07 1smf h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1smf h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1smf h PRO 92 CO 0.91 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.11 1smf n SER 93 N -2.77 4.09 -4.64 1.44 7.64 -1.26 -5.01 113.62 113.12 1smf n SER 93 Ca -0.02 -2.60 -0.47 0.00 1.01 0.00 0.00 58.87 56.79 1smf n SER 93 Cb 0.12 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.79 1smf n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1smf n TYR 94 N 0.32 1.90 -4.06 1.43 9.36 -0.23 -4.68 117.16 121.19 1smf n TYR 94 Ca 0.21 0.48 -0.32 0.00 3.32 0.00 0.00 57.90 61.59 1smf n TYR 94 Cb 0.81 -2.42 -0.16 0.00 -0.63 0.00 0.00 39.34 36.94 1smf n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1smf s ASN 95 N 0.42 3.67 0.52 2.98 3.84 -0.62 -4.99 114.94 120.76 1smf s ASN 95 Ca 0.75 -0.98 0.35 0.00 0.21 0.00 0.00 52.86 53.18 1smf s ASN 95 Cb -0.75 -1.42 1.62 0.00 -0.55 0.00 0.00 41.25 40.14 1smf s ASN 95 CO 0.47 -0.11 2.03 0.77 -2.79 0.00 0.00 177.10 177.47 1smf h SER 96 N 7.89 0.00 0.07 -4.21 4.64 -1.93 0.41 113.55 120.42 1smf h SER 96 Ca -0.31 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.82 1smf h SER 96 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1smf h SER 96 CO 0.53 0.00 -0.99 0.78 -0.87 0.00 0.00 176.83 176.27 1smf h ASN 97 N 0.00 0.24 0.84 4.97 4.21 -1.97 -3.37 115.58 120.49 1smf h ASN 97 Ca 0.00 -0.83 0.00 0.00 1.21 0.00 0.00 56.30 56.68 1smf h ASN 97 Cb 0.29 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1smf h ASN 97 CO 0.00 1.43 -1.10 0.35 -1.29 0.00 0.00 177.43 176.82 1smf n THR 98 N -4.20 0.50 -1.51 2.81 -2.24 -1.15 -4.94 114.28 103.56 1smf n THR 98 Ca -0.22 -0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 60.91 1smf n THR 98 Cb 0.75 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 1smf n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1smf n LEU 99 N -2.55 -1.13 -4.75 3.22 4.77 0.14 -5.00 117.00 111.71 1smf n LEU 99 Ca -0.00 0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.89 1smf n LEU 99 Cb 0.54 -2.17 -0.02 0.00 -2.33 0.00 0.00 43.42 39.44 1smf n LEU 99 CO 0.40 -0.71 1.05 0.21 -1.33 0.00 0.00 177.39 177.02 1smf s ASN 100 N -2.79 6.73 -0.97 -1.43 3.04 -1.20 -3.13 114.94 115.19 1smf s ASN 100 Ca 0.00 2.61 -0.04 0.00 0.04 0.00 0.00 52.86 55.47 1smf s ASN 100 Cb 0.00 -2.63 0.00 0.00 -1.54 0.00 0.00 41.25 37.09 1smf s ASN 100 CO 0.00 -0.63 0.83 0.59 -3.04 0.00 0.00 177.10 174.85 1smf n ASN 101 N 2.07 -4.12 -4.45 -4.21 5.03 -1.26 -1.59 115.26 106.73 1smf n ASN 101 Ca 0.05 -0.42 -0.43 0.00 0.87 0.00 0.00 54.58 54.65 1smf n ASN 101 Cb 0.41 -3.89 0.00 0.00 -1.02 0.00 0.00 39.78 35.28 1smf n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1smf n ASP 102 N -2.11 4.85 -3.73 6.41 2.03 -1.18 -4.21 116.55 118.61 1smf n ASP 102 Ca -0.07 -2.92 -0.13 0.00 0.52 0.00 0.00 54.79 52.18 1smf n ASP 102 Cb 0.57 -1.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.16 1smf n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1smf s ILE 103 N 3.72 0.01 -0.05 5.18 2.07 -1.26 -3.96 121.20 126.92 1smf s ILE 103 Ca 0.52 -0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.61 1smf s ILE 103 Cb 0.04 -0.60 0.02 0.00 0.13 0.00 0.00 42.46 42.05 1smf s ILE 103 CO 0.05 -0.06 0.12 -0.32 -1.91 0.00 0.00 174.94 172.82 1smf s MET 104 N -0.22 0.12 -0.12 3.50 -2.45 0.09 -1.84 119.30 118.38 1smf s MET 104 Ca -0.04 0.21 -0.07 0.00 -1.25 0.00 0.00 55.69 54.54 1smf s MET 104 Cb -0.03 0.00 -0.04 0.00 1.25 0.00 0.00 34.83 36.01 1smf s MET 104 CO 0.02 -0.06 0.14 -0.51 1.05 0.00 0.00 175.02 175.66 1smf s LEU 105 N 0.35 4.38 -0.15 4.11 1.43 0.02 -0.65 118.68 128.17 1smf s LEU 105 Ca -0.02 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1smf s LEU 105 Cb -0.04 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1smf s LEU 105 CO -0.01 0.40 -0.19 -0.63 0.23 0.00 0.00 176.35 176.15 1smf s ILE 106 N -0.98 1.90 0.05 -0.59 1.01 0.27 -0.27 121.20 122.59 1smf s ILE 106 Ca 0.15 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 1smf s ILE 106 Cb -0.12 -1.71 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 1smf s ILE 106 CO 0.04 0.52 0.69 -0.75 0.00 0.00 0.00 174.94 175.43 1smf s LYS 107 N 1.12 4.42 0.30 2.79 2.20 -0.04 -1.29 119.74 129.24 1smf s LYS 107 Ca -0.01 0.93 -0.17 0.00 -0.36 0.00 0.00 55.97 56.37 1smf s LYS 107 Cb -0.14 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.76 1smf s LYS 107 CO -0.07 0.39 0.75 -0.51 -0.36 0.00 0.00 175.35 175.55 1smf s LEU 108 N -0.38 4.14 0.43 5.43 1.43 0.19 -0.16 118.68 129.75 1smf s LEU 108 Ca 0.35 1.35 0.14 0.00 -1.03 0.00 0.00 54.13 54.94 1smf s LEU 108 Cb -0.20 -3.97 0.92 0.00 0.03 0.00 0.00 46.19 42.98 1smf s LEU 108 CO 0.21 -0.15 1.95 0.50 0.23 0.00 0.00 176.35 179.09 1smf h LYS 109 N 2.58 0.01 -3.48 1.70 3.64 -1.40 -3.42 116.57 116.20 1smf h LYS 109 Ca -0.48 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.75 1smf h LYS 109 Cb 1.18 -0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.78 1smf h LYS 109 CO 0.65 0.23 -0.50 0.45 -2.27 0.00 0.00 179.45 178.01 1smf s SER 110 N -6.98 -0.01 0.41 4.20 0.15 -1.26 -4.99 113.70 105.21 1smf s SER 110 Ca -0.04 -0.10 -0.26 0.00 0.70 0.00 0.00 55.95 56.25 1smf s SER 110 Cb 0.15 0.23 -0.09 0.00 -1.71 0.00 0.00 66.02 64.61 1smf s SER 110 CO 0.71 -0.30 1.34 0.00 1.20 0.00 0.00 173.24 176.18 1smf s ALA 111 N -1.07 3.28 0.74 5.45 0.00 -1.26 -4.86 121.76 124.03 1smf s ALA 111 Ca -0.12 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1smf s ALA 111 Cb -0.06 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.58 1smf s ALA 111 CO 0.01 -0.89 1.09 0.00 0.00 0.00 0.00 175.76 175.97 1smf s ALA 112 N -1.24 2.36 -0.44 0.00 0.00 0.13 -4.99 121.76 117.57 1smf s ALA 112 Ca 0.57 0.31 -0.20 0.00 0.00 0.00 0.00 51.96 52.64 1smf s ALA 112 Cb -0.40 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1smf s ALA 112 CO 0.51 -1.58 0.61 -1.12 0.00 0.00 0.00 175.76 174.18 1smf s SER 113 N -3.26 6.30 0.14 0.00 0.01 -1.26 -4.92 113.70 110.71 1smf s SER 113 Ca 0.62 -0.41 -0.16 0.00 1.31 0.00 0.00 55.95 57.31 1smf s SER 113 Cb -0.17 -2.31 -0.07 0.00 0.21 0.00 0.00 66.02 63.68 1smf s SER 113 CO 0.52 -0.76 0.58 -0.76 0.41 0.00 0.00 173.24 173.24 1smf s LEU 114 N 2.72 4.39 0.00 2.44 1.43 -1.26 -4.75 118.68 123.65 1smf s LEU 114 Ca 0.21 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1smf s LEU 114 Cb -0.15 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1smf s LEU 114 CO 0.18 0.14 0.00 -0.46 0.23 0.00 0.00 176.35 176.44 1smf n ASN 115 N 1.04 1.84 -0.08 2.29 2.04 0.02 -5.01 115.26 117.41 1smf n ASN 115 Ca -0.06 0.00 -0.11 0.00 -0.44 0.00 0.00 54.58 53.96 1smf n ASN 115 Cb 0.51 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.70 1smf n ASN 115 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1smf h SER 116 N 0.00 0.00 0.87 0.53 0.02 -2.00 -3.38 113.55 109.59 1smf h SER 116 Ca 0.00 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1smf h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1smf h SER 116 CO 0.00 1.01 0.00 0.08 -1.14 0.00 0.00 176.83 176.78 1smf h ARG 117 N -1.00 0.00 -4.01 3.45 -0.00 -1.95 -3.41 114.38 107.46 1smf h ARG 117 Ca -0.12 0.00 -0.47 0.00 -0.00 0.00 0.00 59.98 59.38 1smf h ARG 117 Cb 0.78 0.00 -0.37 0.00 -0.00 0.00 0.00 29.97 30.39 1smf h ARG 117 CO -0.08 0.00 -0.78 0.08 -0.00 0.00 0.00 179.97 179.19 1smf s VAL 118 N -3.56 0.70 0.00 0.08 1.01 -1.26 -4.54 120.40 112.83 1smf s VAL 118 Ca 0.02 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 1smf s VAL 118 Cb 0.09 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1smf s VAL 118 CO 0.48 0.30 0.53 0.00 0.00 0.00 0.00 175.10 176.41 1smf s ALA 119 N 1.62 -1.35 0.68 5.51 0.00 -0.52 -0.80 121.76 126.90 1smf s ALA 119 Ca 0.01 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 52.64 1smf s ALA 119 Cb -0.13 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1smf s ALA 119 CO -0.05 -0.41 1.04 -1.54 0.00 0.00 0.00 175.76 174.80 1smf s SER 120 N -1.60 5.36 0.02 0.00 1.04 -1.26 -2.80 113.70 114.46 1smf s SER 120 Ca -0.09 0.93 0.05 0.00 0.48 0.00 0.00 55.95 57.31 1smf s SER 120 Cb -0.01 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.33 1smf s SER 120 CO 0.03 -1.33 -0.11 -0.51 0.98 0.00 0.00 173.24 172.31 1smf s ILE 121 N -3.26 3.35 0.38 -1.02 1.10 0.10 -4.85 121.20 117.00 1smf s ILE 121 Ca 0.57 -0.91 -0.24 0.00 -0.51 0.00 0.00 60.65 59.56 1smf s ILE 121 Cb -0.11 -2.44 -0.10 0.00 0.15 0.00 0.00 42.46 39.96 1smf s ILE 121 CO 0.49 0.38 1.00 -0.44 -2.11 0.00 0.00 174.94 174.25 1smf s SER 122 N -1.42 6.96 0.46 4.50 0.01 -1.26 -4.55 113.70 118.40 1smf s SER 122 Ca 0.16 1.91 -0.21 0.00 1.31 0.00 0.00 55.95 59.13 1smf s SER 122 Cb -0.11 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 1smf s SER 122 CO 0.07 -0.35 0.99 -0.76 0.41 0.00 0.00 173.24 173.61 1smf s LEU 123 N -2.57 3.90 0.53 2.44 1.02 -1.26 -0.25 118.68 122.48 1smf s LEU 123 Ca 0.56 1.81 -0.15 0.00 0.02 0.00 0.00 54.13 56.37 1smf s LEU 123 Cb -0.19 -4.55 -0.07 0.00 0.02 0.00 0.00 46.19 41.41 1smf s LEU 123 CO 0.24 -0.57 0.99 -2.16 0.02 0.00 0.00 176.35 174.87 1smf s PRO 124 N -3.20 3.88 0.00 1.29 0.04 -1.26 -4.76 135.00 131.00 1smf s PRO 124 Ca 0.65 0.91 0.19 0.00 0.04 0.00 0.00 61.00 62.78 1smf s PRO 124 Cb -0.13 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1smf s PRO 124 CO 0.16 -0.33 0.91 0.25 0.04 0.00 0.00 177.00 178.04 1smf n THR 125 N -1.80 0.00 -3.67 1.26 -2.24 -1.26 -4.93 114.28 101.64 1smf n THR 125 Ca 0.06 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1smf n THR 125 Cb 0.54 1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 69.85 1smf n THR 125 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1smf s SER 127 N -2.32 -0.36 0.79 3.42 0.15 -1.26 -5.16 113.70 108.97 1smf s SER 127 Ca 0.13 0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.98 1smf s SER 127 Cb 0.15 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.92 1smf s SER 127 CO 0.56 -0.51 1.09 0.00 1.20 0.00 0.00 173.24 175.57 1smf s ALA 129 N -3.02 3.79 0.59 0.00 0.00 -1.26 -5.09 121.76 116.77 1smf s ALA 129 Ca 0.61 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 1smf s ALA 129 Cb -0.16 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1smf s ALA 129 CO 0.55 0.59 1.07 -1.12 0.00 0.00 0.00 175.76 176.85 1smf s SER 130 N -1.46 5.71 0.48 0.00 0.01 -1.26 -5.01 113.70 112.17 1smf s SER 130 Ca 0.26 1.90 -0.24 0.00 1.31 0.00 0.00 55.95 59.17 1smf s SER 130 Cb -0.14 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 1smf s SER 130 CO 0.14 -1.22 1.41 0.00 0.41 0.00 0.00 173.24 173.98 1smf n ALA 132 N -1.92 1.88 0.00 1.44 0.00 -1.26 -2.22 120.51 118.43 1smf n ALA 132 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1smf n ALA 132 Cb 0.52 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1smf n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smf n GLY 133 N 0.64 2.38 3.74 0.00 0.00 0.37 -4.98 105.19 107.34 1smf n GLY 133 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1smf n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1smf s THR 134 N -2.25 2.29 0.01 2.61 2.01 -0.94 -4.68 115.64 114.68 1smf s THR 134 Ca 0.00 0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 1smf s THR 134 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1smf s THR 134 CO 0.00 0.03 0.84 -1.58 -0.69 0.00 0.00 174.62 173.22 1smf s GLN 135 N 0.13 4.53 0.15 4.92 2.00 -1.26 -0.86 119.66 129.27 1smf s GLN 135 Ca 0.66 1.18 0.05 0.00 -2.00 0.00 0.00 55.36 55.24 1smf s GLN 135 Cb -0.46 -3.42 -0.04 0.00 0.80 0.00 0.00 33.01 29.88 1smf s GLN 135 CO 0.41 0.10 -0.10 0.00 -0.50 0.00 0.00 175.29 175.20 1smf s LEU 137 N -3.15 3.12 -0.12 0.00 2.96 0.28 -0.31 118.68 121.46 1smf s LEU 137 Ca 0.17 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1smf s LEU 137 Cb 0.02 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1smf s LEU 137 CO 0.01 0.07 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.32 1smf s ILE 138 N 0.97 2.86 0.09 6.68 1.01 0.47 -1.14 121.20 132.14 1smf s ILE 138 Ca 0.01 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1smf s ILE 138 Cb -0.14 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1smf s ILE 138 CO 0.01 0.53 -0.07 -0.94 0.00 0.00 0.00 174.94 174.47 1smf s SER 139 N 0.33 1.18 0.00 3.58 1.04 -1.23 -0.53 113.70 118.06 1smf s SER 139 Ca -0.12 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1smf s SER 139 Cb -0.16 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1smf s SER 139 CO 0.06 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1smf n GLY 140 N 0.23 1.88 1.98 7.32 0.00 0.12 -4.52 105.19 112.20 1smf n GLY 140 Ca -0.14 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 1smf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1smf n TRP 141 N -0.66 2.39 -1.67 1.61 8.01 -1.26 -1.98 117.44 123.88 1smf n TRP 141 Ca 0.00 -1.12 -0.29 0.00 -1.31 0.00 0.00 57.50 54.78 1smf n TRP 141 Cb 0.00 -0.66 0.15 0.00 -2.01 0.00 0.00 31.31 28.79 1smf n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1smf s GLY 142 N -1.01 1.63 0.12 6.99 0.00 -1.26 -4.47 107.32 109.33 1smf s GLY 142 Ca 0.55 -0.78 -0.35 0.00 0.00 0.00 0.00 44.72 44.15 1smf s GLY 142 CO 0.14 -0.14 1.09 -2.01 0.00 0.00 0.00 173.10 172.18 1smf n ASN 143 N -3.77 0.73 -1.07 1.64 5.15 0.43 -2.46 115.26 115.90 1smf n ASN 143 Ca 0.10 1.14 0.11 0.00 -0.60 0.00 0.00 54.58 55.33 1smf n ASN 143 Cb 0.60 -1.10 0.20 0.00 -0.53 0.00 0.00 39.78 38.94 1smf n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1smf n THR 144 N 1.49 0.49 -5.12 -0.44 -2.24 -0.36 -1.43 114.28 106.68 1smf n THR 144 Ca 0.17 -0.75 -0.32 0.00 -2.27 0.00 0.00 64.05 60.89 1smf n THR 144 Cb 0.19 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 1smf n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1smf s LYS 145 N -1.43 2.45 0.00 -0.78 3.01 -1.26 -4.46 119.74 117.28 1smf s LYS 145 Ca 0.36 -0.83 -0.19 0.00 -1.01 0.00 0.00 55.97 54.30 1smf s LYS 145 Cb 0.21 -2.23 -0.30 0.00 -1.01 0.00 0.00 37.83 34.51 1smf s LYS 145 CO 0.29 0.51 1.01 0.77 0.51 0.00 0.00 175.35 178.44 1smf h SER 146 N 5.68 0.64 -3.96 2.83 0.02 -1.93 -3.40 113.55 113.44 1smf h SER 146 Ca -0.40 -0.87 -0.66 0.00 -0.84 0.00 0.00 61.79 59.02 1smf h SER 146 Cb 1.15 -0.20 -0.39 0.00 0.14 0.00 0.00 62.40 63.10 1smf h SER 146 CO 0.49 1.46 -0.63 -0.44 -1.14 0.00 0.00 176.83 176.57 1smf s SER 147 N -7.13 4.71 0.00 3.07 0.01 -1.26 -4.78 113.70 108.32 1smf s SER 147 Ca -0.12 -2.53 0.00 0.00 1.31 0.00 0.00 55.95 54.62 1smf s SER 147 Cb 0.03 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1smf s SER 147 CO 0.87 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.79 1smf n GLY 148 N 3.80 0.79 2.82 3.44 0.00 -1.26 -5.06 105.19 109.72 1smf n GLY 148 Ca 0.04 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 1smf n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1smf s THR 149 N -2.84 -0.45 -0.17 2.61 2.01 -1.26 -4.77 115.64 110.77 1smf s THR 149 Ca 0.00 -0.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 1smf s THR 149 Cb 0.00 -0.75 0.07 0.00 0.01 0.00 0.00 72.50 71.83 1smf s THR 149 CO 0.00 -0.18 0.13 -0.55 -0.69 0.00 0.00 174.62 173.33 1smf s SER 150 N 2.43 1.91 -0.17 3.53 0.15 -1.26 -4.99 113.70 115.30 1smf s SER 150 Ca 0.10 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.21 1smf s SER 150 Cb -0.16 -0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.07 1smf s SER 150 CO -0.14 -0.33 0.25 -0.31 1.20 0.00 0.00 173.24 173.90 1smf s TYR 151 N 2.20 3.45 0.72 3.44 2.02 -1.26 -1.22 117.35 126.71 1smf s TYR 151 Ca 0.04 0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 57.16 1smf s TYR 151 Cb -0.15 -2.28 0.02 0.00 -0.40 0.00 0.00 41.96 39.14 1smf s TYR 151 CO -0.09 0.27 1.07 -1.25 -1.57 0.00 0.00 175.55 173.98 1smf s PRO 152 N 0.38 2.74 -0.16 -1.71 0.04 -1.26 -5.00 135.00 130.03 1smf s PRO 152 Ca 0.14 0.84 -0.26 0.00 0.04 0.00 0.00 61.00 61.76 1smf s PRO 152 Cb -0.12 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.20 1smf s PRO 152 CO 0.02 -1.21 0.59 -0.44 0.04 0.00 0.00 177.00 176.00 1smf h ASP 153 N -0.79 0.02 -2.33 6.66 3.32 -1.94 -3.47 116.42 117.88 1smf h ASP 153 Ca -0.45 -0.84 -0.46 0.00 0.02 0.00 0.00 57.03 55.31 1smf h ASP 153 Cb 1.23 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1smf h ASP 153 CO 0.58 1.18 -0.30 0.68 -1.72 0.00 0.00 179.24 179.66 1smf s VAL 154 N -2.28 4.75 0.29 -1.35 -7.23 -1.25 -0.29 120.40 113.04 1smf s VAL 154 Ca -0.22 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 1smf s VAL 154 Cb 0.00 -3.70 -0.10 0.00 0.56 0.00 0.00 36.38 33.15 1smf s VAL 154 CO 0.66 -0.35 1.20 -0.22 -0.31 0.00 0.00 175.10 176.09 1smf s LEU 155 N -4.20 4.49 -0.00 1.32 2.96 -1.06 -4.82 118.68 117.36 1smf s LEU 155 Ca 0.40 2.46 0.05 0.00 -0.22 0.00 0.00 54.13 56.82 1smf s LEU 155 Cb -0.09 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1smf s LEU 155 CO 0.33 -0.34 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.32 1smf s LYS 156 N -1.47 2.30 0.28 1.98 -0.14 -0.84 -1.72 119.74 120.13 1smf s LYS 156 Ca 0.47 -0.84 0.12 0.00 -1.36 0.00 0.00 55.97 54.36 1smf s LYS 156 Cb -0.36 -2.29 -0.05 0.00 -1.68 0.00 0.00 37.83 33.45 1smf s LYS 156 CO 0.46 0.58 -0.18 0.00 -0.76 0.00 0.00 175.35 175.44 1smf s LEU 158 N -3.52 -0.81 -0.14 0.00 2.96 0.31 -0.77 118.68 116.70 1smf s LEU 158 Ca 0.30 1.35 -0.22 0.00 -0.22 0.00 0.00 54.13 55.34 1smf s LEU 158 Cb -0.05 2.26 -0.03 0.00 0.50 0.00 0.00 46.19 48.87 1smf s LEU 158 CO 0.15 -0.22 0.67 -0.54 -1.32 0.00 0.00 176.35 175.09 1smf s LYS 159 N 1.32 4.32 -0.06 1.98 3.01 -1.26 -0.40 119.74 128.66 1smf s LYS 159 Ca -0.08 0.75 -0.10 0.00 -1.01 0.00 0.00 55.97 55.53 1smf s LYS 159 Cb -0.05 -3.51 0.02 0.00 -1.01 0.00 0.00 37.83 33.28 1smf s LYS 159 CO -0.15 -0.10 0.25 0.00 0.51 0.00 0.00 175.35 175.86 1smf s ALA 160 N 1.40 -0.62 0.40 5.17 0.00 0.58 -4.92 121.76 123.77 1smf s ALA 160 Ca 0.33 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.51 1smf s ALA 160 Cb -0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 23.12 22.67 1smf s ALA 160 CO 0.13 -0.18 1.00 -1.25 0.00 0.00 0.00 175.76 175.47 1smf s PRO 161 N -0.56 4.21 0.09 0.00 0.04 -1.26 -0.16 135.00 137.35 1smf s PRO 161 Ca -0.07 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1smf s PRO 161 Cb -0.04 -2.44 -0.06 0.00 0.04 0.00 0.00 34.50 32.00 1smf s PRO 161 CO 0.02 -0.08 1.17 0.42 0.04 0.00 0.00 177.00 178.57 1smf s ILE 162 N -1.82 3.99 0.51 0.56 1.01 -0.04 -1.82 121.20 123.59 1smf s ILE 162 Ca 0.59 1.49 -0.01 0.00 0.00 0.00 0.00 60.65 62.72 1smf s ILE 162 Cb -0.17 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1smf s ILE 162 CO 0.22 0.15 0.76 -0.76 0.00 0.00 0.00 174.94 175.31 1smf s LEU 163 N 0.67 3.46 0.74 2.97 1.43 -0.32 -0.48 118.68 127.14 1smf s LEU 163 Ca 0.56 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 1smf s LEU 163 Cb -0.29 -3.22 0.04 0.00 0.03 0.00 0.00 46.19 42.74 1smf s LEU 163 CO 0.31 -0.89 1.08 -0.94 0.23 0.00 0.00 176.35 176.14 1smf s SER 164 N -4.28 4.85 0.23 2.29 1.04 -1.26 -4.68 113.70 111.89 1smf s SER 164 Ca 0.51 1.78 -0.07 0.00 0.48 0.00 0.00 55.95 58.65 1smf s SER 164 Cb -0.10 -2.52 0.21 0.00 0.10 0.00 0.00 66.02 63.71 1smf s SER 164 CO 0.40 -1.80 1.88 0.44 0.98 0.00 0.00 173.24 175.14 1smf h ASP 165 N -0.87 1.09 -0.05 7.02 5.19 -1.97 0.36 116.42 127.17 1smf h ASP 165 Ca -0.44 -0.07 -0.18 0.00 -0.62 0.00 0.00 57.03 55.73 1smf h ASP 165 Cb 1.23 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 1smf h ASP 165 CO 0.53 0.83 -0.59 0.77 -3.12 0.00 0.00 179.24 177.67 1smf h SER 166 N 1.24 0.74 -0.12 6.45 4.64 -1.99 0.14 113.55 124.65 1smf h SER 166 Ca 0.32 -0.41 -0.12 0.00 -0.47 0.00 0.00 61.79 61.12 1smf h SER 166 Cb -0.05 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1smf h SER 166 CO -0.06 1.16 -0.31 0.28 -0.87 0.00 0.00 176.83 177.03 1smf h SER 167 N 0.49 0.62 -0.19 4.97 0.02 -1.81 -0.65 113.55 117.01 1smf h SER 167 Ca 0.00 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 1smf h SER 167 Cb 1.16 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1smf h SER 167 CO 0.12 0.90 -0.02 0.00 -1.14 0.00 0.00 176.83 176.68 1smf h LYS 169 N 0.09 0.21 -0.34 0.00 1.57 -0.95 -1.67 116.57 115.48 1smf h LYS 169 Ca 0.05 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1smf h LYS 169 Cb 0.44 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1smf h LYS 169 CO 0.01 0.50 -0.21 0.77 -0.57 0.00 0.00 179.45 179.95 1smf h SER 170 N 0.19 0.65 0.37 0.86 0.02 -0.87 -2.40 113.55 112.37 1smf h SER 170 Ca 0.03 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 60.62 1smf h SER 170 Cb 0.63 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1smf h SER 170 CO 0.05 0.86 -0.58 0.00 -1.14 0.00 0.00 176.83 176.01 1smf h ALA 171 N 1.20 0.89 -2.07 3.77 0.00 -0.30 -3.38 119.26 119.36 1smf h ALA 171 Ca 0.09 -0.53 -0.55 0.00 0.00 0.00 0.00 54.91 53.92 1smf h ALA 171 Cb 0.67 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.97 1smf h ALA 171 CO 0.05 0.72 -0.98 0.66 0.00 0.00 0.00 179.25 179.69 1smf n TYR 172 N -3.88 1.04 -1.66 0.00 4.01 -0.70 -4.94 117.16 111.02 1smf n TYR 172 Ca -0.02 -3.79 -0.48 0.00 -0.16 0.00 0.00 57.90 53.45 1smf n TYR 172 Cb 0.60 -0.42 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 1smf n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1smf n PRO 173 N 0.80 1.96 0.00 -0.72 -0.02 -0.92 -1.55 135.00 134.56 1smf n PRO 173 Ca 0.25 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1smf n PRO 173 Cb 0.53 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1smf n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smf n GLY 174 N 3.41 2.97 0.00 -1.23 0.00 -1.26 -4.83 105.19 104.25 1smf n GLY 174 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1smf n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1smf n GLN 175 N -2.00 0.84 -3.27 1.61 6.02 -0.59 -4.92 117.38 115.07 1smf n GLN 175 Ca 0.00 -0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.49 1smf n GLN 175 Cb 0.00 -1.38 -0.08 0.00 1.02 0.00 0.00 30.24 29.80 1smf n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1smf s ILE 176 N -2.99 5.07 0.68 5.09 -1.09 -1.24 -5.04 121.20 121.68 1smf s ILE 176 Ca -0.01 0.57 0.01 0.00 -2.23 0.00 0.00 60.65 58.99 1smf s ILE 176 Cb 0.12 -3.86 0.11 0.00 -1.58 0.00 0.00 42.46 37.26 1smf s ILE 176 CO 0.74 -0.03 0.94 0.42 -1.23 0.00 0.00 174.94 175.77 1smf s THR 177 N 2.29 2.18 0.56 2.92 -4.23 -1.26 -4.98 115.64 113.12 1smf s THR 177 Ca 0.19 -0.68 0.43 0.00 -1.18 0.00 0.00 61.69 60.44 1smf s THR 177 Cb -0.16 -2.50 0.43 0.00 1.34 0.00 0.00 72.50 71.62 1smf s THR 177 CO 0.11 0.00 2.30 0.77 -0.54 0.00 0.00 174.62 177.26 1smf h SER 178 N -0.35 0.00 -0.48 3.99 4.64 -2.03 -1.90 113.55 117.43 1smf h SER 178 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1smf h SER 178 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1smf h SER 178 CO 0.41 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.96 1smf n ASN 179 N -3.05 3.81 -4.23 4.97 3.02 -1.26 -4.91 115.26 113.62 1smf n ASN 179 Ca -0.02 -2.39 -0.16 0.00 -0.03 0.00 0.00 54.58 51.98 1smf n ASN 179 Cb 0.10 -0.52 -0.11 0.00 -0.61 0.00 0.00 39.78 38.64 1smf n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1smf s MET 180 N -1.86 0.99 0.15 3.52 -1.94 -0.72 -1.13 119.30 118.31 1smf s MET 180 Ca 0.38 -1.28 -0.07 0.00 -1.71 0.00 0.00 55.69 53.01 1smf s MET 180 Cb 0.26 -0.73 -0.01 0.00 2.01 0.00 0.00 34.83 36.35 1smf s MET 180 CO 0.17 0.12 0.23 -0.59 -0.01 0.00 0.00 175.02 174.94 1smf s PHE 181 N -2.55 0.44 -0.06 -0.03 -0.12 -0.45 -4.81 117.98 110.39 1smf s PHE 181 Ca 0.10 -0.82 -0.01 0.00 -0.05 0.00 0.00 56.93 56.16 1smf s PHE 181 Cb -0.02 -0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.20 1smf s PHE 181 CO 0.02 -0.66 0.00 0.00 -0.05 0.00 0.00 175.22 174.54 1smf s ALA 183 N -0.94 0.16 0.00 0.00 0.00 -0.69 -1.17 121.76 119.12 1smf s ALA 183 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1smf s ALA 183 Cb -0.11 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1smf s ALA 183 CO 0.04 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1smf n GLY 184 N 1.86 0.49 2.84 0.00 0.00 -0.75 -2.74 105.19 106.89 1smf n GLY 184 Ca -0.22 -1.66 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 1smf n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1smf s TYR 184 N -2.64 0.51 -0.55 1.61 1.51 -1.26 -4.39 117.35 112.12 1smf s TYR 184 Ca 0.00 -0.09 0.26 0.00 -1.01 0.00 0.00 57.07 56.23 1smf s TYR 184 Cb 0.00 -0.53 0.75 0.00 -0.11 0.00 0.00 41.96 42.07 1smf s TYR 184 CO 0.00 -0.17 1.74 -0.07 -1.11 0.00 0.00 175.55 175.94 1smf h LEU 185 N 7.30 0.00 -1.32 -1.29 3.38 -1.95 -2.61 115.31 118.81 1smf h LEU 185 Ca -0.39 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1smf h LEU 185 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1smf h LEU 185 CO 0.46 0.00 -0.07 -0.33 0.09 0.00 0.00 178.44 178.58 1smf h GLU 186 N 0.00 0.00 0.00 1.13 3.07 -1.95 0.10 114.58 116.93 1smf h GLU 186 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1smf h GLU 186 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1smf h GLU 186 CO 0.00 0.07 0.00 0.41 -1.40 0.00 0.00 179.01 178.09 1smf n GLY 187 N 0.08 -0.74 1.44 -3.84 0.00 -0.99 -4.48 105.19 96.67 1smf n GLY 187 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1smf n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smf n GLY 188 N -0.73 2.65 2.73 -0.02 0.00 -0.38 -4.93 105.19 104.51 1smf n GLY 188 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1smf n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smf s LYS 188 N -0.61 0.14 0.18 1.61 1.02 -1.26 -3.67 119.74 117.15 1smf s LYS 188 Ca 0.00 0.25 -0.24 0.00 0.02 0.00 0.00 55.97 56.00 1smf s LYS 188 Cb 0.00 -0.58 0.06 0.00 -0.52 0.00 0.00 37.83 36.78 1smf s LYS 188 CO 0.00 -0.28 0.93 0.34 -0.92 0.00 0.00 175.35 175.43 1smf s ASP 189 N 1.83 -0.17 0.50 2.83 2.15 -0.73 -4.34 116.67 118.74 1smf s ASP 189 Ca 0.01 -0.47 -0.14 0.00 0.43 0.00 0.00 52.55 52.39 1smf s ASP 189 Cb -0.12 0.53 -0.07 0.00 -0.30 0.00 0.00 42.92 42.95 1smf s ASP 189 CO -0.03 -0.98 0.92 -0.94 -0.17 0.00 0.00 175.17 173.97 1smf s SER 190 N -2.97 6.53 0.11 -0.34 1.04 -1.26 -0.28 113.70 116.52 1smf s SER 190 Ca 0.13 1.40 0.02 0.00 0.48 0.00 0.00 55.95 57.97 1smf s SER 190 Cb -0.02 -2.44 -0.01 0.00 0.10 0.00 0.00 66.02 63.65 1smf s SER 190 CO 0.03 -0.57 0.11 0.00 0.98 0.00 0.00 173.24 173.79 1smf s GLN 192 N -2.37 4.12 0.00 0.00 1.11 -1.26 -1.38 119.66 119.88 1smf s GLN 192 Ca 0.12 2.61 0.00 0.00 0.01 0.00 0.00 55.36 58.09 1smf s GLN 192 Cb 0.00 -3.05 0.00 0.00 -1.01 0.00 0.00 33.01 28.95 1smf s GLN 192 CO 0.08 -0.71 0.00 0.41 0.01 0.00 0.00 175.29 175.08 1smf n GLY 193 N 3.31 2.30 0.06 3.09 0.00 -1.26 -0.42 105.19 112.27 1smf n GLY 193 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1smf n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smf n ASP 194 N 0.00 0.59 -4.60 1.61 8.00 -0.48 -4.02 116.55 117.65 1smf n ASP 194 Ca 0.00 0.34 -0.46 0.00 0.71 0.00 0.00 54.79 55.38 1smf n ASP 194 Cb 0.00 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 1smf n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1smf n SER 195 N -1.99 1.66 0.00 -2.24 7.64 -1.26 -2.01 113.62 115.42 1smf n SER 195 Ca 0.05 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1smf n SER 195 Cb 0.41 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1smf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1smf n GLY 196 N 1.74 1.62 3.89 0.23 0.00 0.03 0.18 105.19 112.88 1smf n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1smf n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1smf s GLY 197 N -1.98 1.69 0.29 -0.02 0.00 -0.85 -3.42 107.32 103.02 1smf s GLY 197 Ca 0.00 -0.94 -0.27 0.00 0.00 0.00 0.00 44.72 43.51 1smf s GLY 197 CO 0.00 -0.28 0.93 2.56 0.00 0.00 0.00 173.10 176.31 1smf s PRO 198 N -5.70 4.64 -0.26 2.90 0.04 -1.26 -1.17 135.00 134.18 1smf s PRO 198 Ca 0.69 1.34 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1smf s PRO 198 Cb -0.08 -2.94 0.06 0.00 0.04 0.00 0.00 34.50 31.59 1smf s PRO 198 CO 0.52 0.36 -0.09 0.08 0.04 0.00 0.00 177.00 177.91 1smf s VAL 199 N -1.49 2.06 -0.14 -0.36 1.01 -0.41 -3.56 120.40 117.51 1smf s VAL 199 Ca 0.47 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 1smf s VAL 199 Cb -0.21 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1smf s VAL 199 CO 0.26 -0.08 -0.04 -0.69 0.00 0.00 0.00 175.10 174.54 1smf s VAL 200 N 1.14 3.86 -0.05 2.92 1.01 -0.29 -0.49 120.40 128.50 1smf s VAL 200 Ca -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1smf s VAL 200 Cb -0.20 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1smf s VAL 200 CO -0.06 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.54 1smf n SER 202 N 4.46 -4.83 -0.08 0.00 7.64 -1.26 -0.55 113.62 119.00 1smf n SER 202 Ca -0.18 -0.65 -0.01 0.00 1.01 0.00 0.00 58.87 59.03 1smf n SER 202 Cb 0.50 -3.88 -0.00 0.00 -1.01 0.00 0.00 64.21 59.82 1smf n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1smf n GLY 203 N -1.59 0.45 3.28 0.23 0.00 -1.26 -5.03 105.19 101.27 1smf n GLY 203 Ca 0.02 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1smf n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smf s LYS 204 N -0.87 1.76 -0.52 1.61 3.01 0.28 -3.98 119.74 121.03 1smf s LYS 204 Ca 0.00 -0.92 -0.28 0.00 -1.01 0.00 0.00 55.97 53.76 1smf s LYS 204 Cb 0.00 -1.79 0.02 0.00 -1.01 0.00 0.00 37.83 35.04 1smf s LYS 204 CO 0.00 0.48 1.34 -1.17 0.51 0.00 0.00 175.35 176.51 1smf s LEU 209 N -0.84 3.48 -0.09 3.17 2.96 0.65 -0.71 118.68 127.29 1smf s LEU 209 Ca 0.09 0.40 0.20 0.00 -0.22 0.00 0.00 54.13 54.61 1smf s LEU 209 Cb -0.09 -3.25 -0.28 0.00 0.50 0.00 0.00 46.19 43.06 1smf s LEU 209 CO 0.00 -1.55 0.34 0.00 -1.32 0.00 0.00 176.35 173.82 1smf n GLN 210 N 8.39 0.67 -3.99 1.98 1.13 0.36 -4.11 117.38 121.80 1smf n GLN 210 Ca 0.13 -0.09 -0.09 0.00 -1.94 0.00 0.00 57.00 55.00 1smf n GLN 210 Cb 0.49 -1.54 -0.08 0.00 0.11 0.00 0.00 30.24 29.22 1smf n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1smf s GLY 211 N -4.95 0.55 -0.05 1.08 0.00 -0.86 -1.83 107.32 101.25 1smf s GLY 211 Ca -0.08 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.68 1smf s GLY 211 CO 0.87 -0.95 -0.13 -0.42 0.00 0.00 0.00 173.10 172.46 1smf s ILE 212 N -3.97 1.19 0.13 0.90 1.01 -0.87 -1.29 121.20 118.30 1smf s ILE 212 Ca 0.17 -0.54 -0.31 0.00 0.00 0.00 0.00 60.65 59.97 1smf s ILE 212 Cb 0.04 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.36 1smf s ILE 212 CO -0.01 0.36 1.68 -0.69 0.00 0.00 0.00 174.94 176.28 1smf s VAL 213 N 0.40 2.63 0.01 2.92 1.01 -0.32 -1.18 120.40 125.86 1smf s VAL 213 Ca -0.10 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1smf s VAL 213 Cb -0.13 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1smf s VAL 213 CO 0.03 0.01 0.00 -0.24 0.00 0.00 0.00 175.10 174.90 1smf n SER 214 N 4.84 0.01 -1.50 3.32 2.88 -1.13 -0.79 113.62 121.25 1smf n SER 214 Ca 0.16 0.01 -0.03 0.00 -1.33 0.00 0.00 58.87 57.67 1smf n SER 214 Cb 0.38 -0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1smf n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1smf n TRP 215 N -2.53 -0.91 0.00 0.66 4.27 -0.62 -4.92 117.44 113.39 1smf n TRP 215 Ca 0.00 -0.57 0.00 0.00 -3.89 0.00 0.00 57.50 53.04 1smf n TRP 215 Cb 0.00 0.17 0.00 0.00 -1.36 0.00 0.00 31.31 30.12 1smf n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1smf n GLY 216 N -0.15 1.65 3.42 -1.67 0.00 -1.26 -1.12 105.19 106.06 1smf n GLY 216 Ca -0.01 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.59 1smf n GLY 216 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1smf s SER 217 N 0.00 6.23 0.43 1.61 0.01 -1.26 -4.92 113.70 115.80 1smf s SER 217 Ca 0.00 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.96 1smf s SER 217 Cb 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1smf s SER 217 CO 0.00 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.00 1smf n GLY 219 N 5.30 0.17 3.05 3.44 0.00 -1.26 -4.65 105.19 111.24 1smf n GLY 219 Ca -0.03 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1smf n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smf n ALA 221 N 3.78 -0.57 -1.89 0.00 0.00 -1.26 -4.70 120.51 115.87 1smf n ALA 221 Ca -0.21 0.17 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1smf n ALA 221 Cb 0.55 -1.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.16 1smf n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1smf s GLN 221 N -4.56 4.35 0.15 0.00 -1.52 -1.26 -1.24 119.66 115.58 1smf s GLN 221 Ca 0.00 1.11 -0.34 0.00 -1.95 0.00 0.00 55.36 54.18 1smf s GLN 221 Cb 0.00 -2.58 -0.13 0.00 -0.22 0.00 0.00 33.01 30.08 1smf s GLN 221 CO 0.00 0.19 1.63 1.17 -0.25 0.00 0.00 175.29 178.03 1smf n LYS 222 N 0.10 2.27 -1.64 2.91 0.00 -1.26 -2.03 118.16 118.51 1smf n LYS 222 Ca 0.03 0.82 -0.19 0.00 0.00 0.00 0.00 58.31 58.96 1smf n LYS 222 Cb 0.52 -2.61 -0.08 0.00 0.00 0.00 0.00 35.03 32.86 1smf n LYS 222 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1smf n ASN 223 N 3.77 -5.37 -3.44 3.14 3.02 0.35 -4.90 115.26 111.84 1smf n ASN 223 Ca 0.17 0.44 -0.26 0.00 -0.03 0.00 0.00 54.58 54.89 1smf n ASN 223 Cb 0.30 -4.57 -0.09 0.00 -0.61 0.00 0.00 39.78 34.81 1smf n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1smf n LYS 224 N -2.48 1.06 -1.05 3.52 4.76 -0.86 -4.78 118.16 118.33 1smf n LYS 224 Ca -0.20 -3.70 -0.30 0.00 -2.87 0.00 0.00 58.31 51.24 1smf n LYS 224 Cb 0.64 -1.75 0.13 0.00 -1.84 0.00 0.00 35.03 32.21 1smf n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1smf s PRO 225 N -1.03 1.44 0.46 1.97 0.04 -1.26 -4.32 135.00 132.30 1smf s PRO 225 Ca 0.33 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 1smf s PRO 225 Cb 0.08 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 1smf s PRO 225 CO -0.14 -2.21 1.17 0.20 0.04 0.00 0.00 177.00 176.06 1smf s GLY 226 N -3.15 2.77 -0.02 0.56 0.00 -1.11 -4.70 107.32 101.67 1smf s GLY 226 Ca 0.64 0.94 0.03 0.00 0.00 0.00 0.00 44.72 46.32 1smf s GLY 226 CO 0.57 1.39 -0.09 0.14 0.00 0.00 0.00 173.10 175.12 1smf s VAL 227 N -1.55 3.52 0.00 1.40 1.01 -0.27 -1.70 120.40 122.81 1smf s VAL 227 Ca 0.64 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1smf s VAL 227 Cb -0.29 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1smf s VAL 227 CO 0.35 0.49 -0.06 -0.31 0.00 0.00 0.00 175.10 175.56 1smf s TYR 228 N -0.89 0.57 0.11 5.22 2.02 0.39 -1.59 117.35 123.18 1smf s TYR 228 Ca 0.15 -0.16 -0.31 0.00 -0.37 0.00 0.00 57.07 56.38 1smf s TYR 228 Cb -0.11 -0.36 -0.07 0.00 -0.40 0.00 0.00 41.96 41.02 1smf s TYR 228 CO 0.04 -0.02 1.29 0.99 -1.57 0.00 0.00 175.55 176.29 1smf s THR 229 N -0.30 3.60 -0.91 -0.71 2.01 -0.33 -1.34 115.64 117.67 1smf s THR 229 Ca 0.01 1.18 -0.20 0.00 0.31 0.00 0.00 61.69 62.98 1smf s THR 229 Cb -0.03 -3.75 0.10 0.00 0.01 0.00 0.00 72.50 68.83 1smf s THR 229 CO -0.00 0.11 1.17 -0.75 -0.69 0.00 0.00 174.62 174.46 1smf s LYS 230 N 0.88 3.52 0.35 4.92 2.20 -0.29 -2.05 119.74 129.27 1smf s LYS 230 Ca 0.61 -1.47 0.05 0.00 -0.36 0.00 0.00 55.97 54.80 1smf s LYS 230 Cb -0.34 -4.90 0.70 0.00 -1.51 0.00 0.00 37.83 31.79 1smf s LYS 230 CO 0.31 -1.87 1.94 0.28 -0.36 0.00 0.00 175.35 175.65 1smf h VAL 231 N 6.05 1.02 -0.25 4.02 2.07 -1.67 -1.81 116.25 125.69 1smf h VAL 231 Ca 0.09 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1smf h VAL 231 Cb 1.03 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1smf h VAL 231 CO 1.19 0.15 0.33 0.00 0.02 0.00 0.00 177.57 179.25 1smf n ASN 233 N -3.58 0.00 -0.24 0.00 3.02 -0.68 -3.47 115.26 110.32 1smf n ASN 233 Ca 0.03 0.19 0.02 0.00 -0.03 0.00 0.00 54.58 54.80 1smf n ASN 233 Cb 0.46 -0.38 0.04 0.00 -0.61 0.00 0.00 39.78 39.29 1smf n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1smf n TYR 234 N -1.38 0.10 -0.34 3.10 4.01 0.89 -4.78 117.16 118.75 1smf n TYR 234 Ca 0.09 -0.24 -0.03 0.00 -0.16 0.00 0.00 57.90 57.56 1smf n TYR 234 Cb 0.24 -0.02 0.09 0.00 -0.31 0.00 0.00 39.34 39.34 1smf n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1smf h VAL 235 N 0.92 1.25 -0.48 -0.72 2.07 -1.57 -0.15 116.25 117.57 1smf h VAL 235 Ca 0.00 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1smf h VAL 235 Cb 0.40 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1smf h VAL 235 CO 0.00 0.25 0.09 0.28 0.02 0.00 0.00 177.57 178.21 1smf h SER 236 N 1.25 0.75 0.01 0.57 0.02 -1.88 -1.52 113.55 112.76 1smf h SER 236 Ca 0.33 -0.25 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1smf h SER 236 Cb -0.08 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1smf h SER 236 CO -0.06 0.81 -0.11 -0.25 -1.14 0.00 0.00 176.83 176.08 1smf h TRP 237 N 0.66 -0.28 -0.22 3.45 7.01 -1.70 -0.85 115.95 124.02 1smf h TRP 237 Ca 0.15 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.17 1smf h TRP 237 Cb 0.37 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1smf h TRP 237 CO 0.03 -0.17 0.12 0.82 -2.79 0.00 0.00 178.44 176.45 1smf h ILE 238 N -0.19 1.01 -0.43 2.65 2.04 -0.89 -0.64 117.51 121.05 1smf h ILE 238 Ca 0.04 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1smf h ILE 238 Cb 0.24 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1smf h ILE 238 CO -0.10 0.05 0.19 0.11 0.00 0.00 0.00 178.15 178.39 1smf h LYS 239 N 0.25 0.63 -0.37 2.37 1.57 -1.05 -0.86 116.57 119.11 1smf h LYS 239 Ca 0.09 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1smf h LYS 239 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1smf h LYS 239 CO -0.05 0.56 -0.20 1.96 -0.57 0.00 0.00 179.45 181.15 1smf h GLN 240 N 0.55 0.71 0.04 3.15 4.20 -0.91 -0.85 115.11 122.01 1smf h GLN 240 Ca 0.15 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1smf h GLN 240 Cb 0.15 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1smf h GLN 240 CO -0.02 0.86 -0.02 1.15 -0.67 0.00 0.00 178.83 180.14 1smf h THR 241 N 0.63 1.28 -0.98 -0.54 2.02 -0.82 -2.28 112.91 112.23 1smf h THR 241 Ca 0.09 -1.09 0.09 0.00 0.77 0.00 0.00 66.41 66.27 1smf h THR 241 Cb 0.69 2.00 -0.07 0.00 -1.74 0.00 0.00 68.15 69.03 1smf h THR 241 CO 0.05 0.27 0.62 0.40 0.37 0.00 0.00 175.52 177.23 1smf h ILE 242 N -0.54 1.01 -0.08 3.11 2.04 -1.09 -0.14 117.51 121.81 1smf h ILE 242 Ca -0.01 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1smf h ILE 242 Cb 0.49 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1smf h ILE 242 CO 0.01 0.19 0.01 0.00 0.00 0.00 0.00 178.15 178.37 1smf h ALA 243 N 1.48 1.87 0.00 1.87 0.00 -1.00 -2.81 119.26 120.68 1smf h ALA 243 Ca 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1smf h ALA 243 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1smf h ALA 243 CO -0.21 0.10 -0.64 0.77 0.00 0.00 0.00 179.25 179.27 1smf h SER 244 N 0.11 0.00 -0.00 0.00 0.02 -0.44 -3.51 113.55 109.73 1smf h SER 244 Ca 0.03 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1smf h SER 244 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1smf h SER 244 CO -0.00 0.02 0.00 0.59 -1.14 0.00 0.00 176.83 176.30