#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2agg s VAL 17 N 0.00 5.05 -0.60 1.39 1.01 0.34 -3.96 120.40 123.62 2agg s VAL 17 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2agg s VAL 17 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2agg s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2agg n GLY 18 N 3.31 0.82 0.00 4.51 0.00 -1.22 -1.40 105.19 111.20 2agg n GLY 18 Ca -0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2agg n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2agg n GLY 19 N -2.21 1.56 3.14 -0.02 0.00 -1.26 -4.87 105.19 101.53 2agg n GLY 19 Ca -0.06 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 2agg n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2agg s TYR 20 N 1.92 0.27 -0.04 1.61 -0.85 -0.18 -4.94 117.35 115.14 2agg s TYR 20 Ca 0.00 -0.68 -0.30 0.00 -0.52 0.00 0.00 57.07 55.57 2agg s TYR 20 Cb 0.00 -0.18 -0.06 0.00 0.38 0.00 0.00 41.96 42.10 2agg s TYR 20 CO 0.00 -0.43 1.59 0.99 -1.52 0.00 0.00 175.55 176.18 2agg s THR 21 N -3.41 3.57 0.14 -3.49 2.01 -1.26 -0.53 115.64 112.65 2agg s THR 21 Ca 0.02 0.78 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 2agg s THR 21 Cb 0.04 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.04 2agg s THR 21 CO -0.08 -0.05 1.70 0.00 -0.69 0.00 0.00 174.62 175.50 2agg n GLY 23 N -0.83 2.76 3.69 0.00 0.00 -1.26 -4.83 105.19 104.71 2agg n GLY 23 Ca -0.00 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 2agg n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2agg n ALA 24 N 1.18 1.79 -1.37 4.61 0.00 -1.26 -2.31 120.51 123.15 2agg n ALA 24 Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 2agg n ALA 24 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 19.45 16.90 2agg n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2agg n ASN 25 N 5.01 -5.33 0.00 0.00 3.02 -1.26 -4.86 115.26 111.84 2agg n ASN 25 Ca 0.18 0.31 0.14 0.00 -0.03 0.00 0.00 54.58 55.19 2agg n ASN 25 Cb 0.33 -3.94 0.76 0.00 -0.61 0.00 0.00 39.78 36.32 2agg n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2agg n THR 26 N -2.36 0.04 -3.46 3.41 -2.24 -0.98 -3.93 114.28 104.76 2agg n THR 26 Ca -0.13 0.01 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 2agg n THR 26 Cb 0.55 -0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 2agg n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2agg n VAL 27 N -1.24 0.83 0.65 2.28 0.31 -1.26 -4.98 118.33 114.92 2agg n VAL 27 Ca 0.15 -4.54 0.09 0.00 -0.01 0.00 0.00 64.34 60.03 2agg n VAL 27 Cb 0.21 -2.01 0.41 0.00 -0.91 0.00 0.00 33.84 31.54 2agg n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2agg n PRO 28 N 1.54 0.01 0.00 5.55 -0.04 -1.25 -1.55 135.00 139.25 2agg n PRO 28 Ca 0.25 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 2agg n PRO 28 Cb 0.44 -1.51 0.35 0.00 -0.04 0.00 0.00 33.50 32.74 2agg n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2agg n TYR 29 N -1.53 0.00 -2.59 0.54 0.18 -1.11 -1.92 117.16 110.73 2agg n TYR 29 Ca 0.05 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.41 2agg n TYR 29 Cb 0.23 -0.24 -0.03 0.00 -0.38 0.00 0.00 39.34 38.92 2agg n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2agg s GLN 30 N -2.84 4.50 0.23 -3.48 2.00 -0.60 -1.03 119.66 118.44 2agg s GLN 30 Ca 0.16 1.57 0.11 0.00 -2.00 0.00 0.00 55.36 55.20 2agg s GLN 30 Cb 0.18 -3.42 -0.05 0.00 0.80 0.00 0.00 33.01 30.53 2agg s GLN 30 CO 0.62 -0.14 -0.21 0.14 -0.50 0.00 0.00 175.29 175.19 2agg s VAL 31 N 1.06 2.47 -0.17 1.34 -7.23 -0.28 -4.47 120.40 113.13 2agg s VAL 31 Ca 0.55 -2.15 -0.06 0.00 -1.81 0.00 0.00 61.98 58.51 2agg s VAL 31 Cb -0.24 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2agg s VAL 31 CO 0.28 -0.22 0.03 -0.55 -0.31 0.00 0.00 175.10 174.33 2agg s SER 32 N -3.00 5.41 -0.17 4.85 0.15 -0.49 -2.27 113.70 118.18 2agg s SER 32 Ca 0.25 0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.79 2agg s SER 32 Cb -0.07 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 2agg s SER 32 CO 0.12 0.20 0.38 -0.76 1.20 0.00 0.00 173.24 174.38 2agg s LEU 33 N 0.21 4.21 -0.04 3.45 1.43 0.03 -0.75 118.68 127.23 2agg s LEU 33 Ca 0.02 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 2agg s LEU 33 Cb -0.13 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2agg s LEU 33 CO 0.01 0.01 -0.14 0.21 0.23 0.00 0.00 176.35 176.67 2agg s ASN 34 N 0.74 1.80 -0.39 2.29 3.84 0.07 -1.48 114.94 121.81 2agg s ASN 34 Ca 0.20 -0.29 0.11 0.00 0.21 0.00 0.00 52.86 53.09 2agg s ASN 34 Cb -0.14 -0.54 0.42 0.00 -0.55 0.00 0.00 41.25 40.44 2agg s ASN 34 CO 0.07 0.11 0.98 -1.54 -2.79 0.00 0.00 177.10 173.93 2agg n SER 37 N 3.28 2.83 0.00 -4.21 3.41 -1.26 -1.20 113.62 116.46 2agg n SER 37 Ca -0.19 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 2agg n SER 37 Cb 0.53 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2agg n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2agg n GLY 38 N -0.19 0.83 3.58 5.00 0.00 -1.26 -4.99 105.19 108.16 2agg n GLY 38 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 2agg n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2agg s TYR 39 N -3.23 -0.20 0.04 1.61 1.13 -1.26 -5.13 117.35 110.30 2agg s TYR 39 Ca 0.00 0.19 -0.30 0.00 -1.41 0.00 0.00 57.07 55.54 2agg s TYR 39 Cb 0.00 0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 2agg s TYR 39 CO 0.00 -0.28 1.24 -1.58 -2.51 0.00 0.00 175.55 172.42 2agg s HIS 40 N -2.24 3.30 0.00 -3.49 5.65 -1.26 -4.24 115.29 113.01 2agg s HIS 40 Ca 0.07 1.19 0.00 0.00 0.25 0.00 0.00 55.06 56.57 2agg s HIS 40 Cb -0.01 -3.48 0.00 0.00 -1.18 0.00 0.00 32.58 27.91 2agg s HIS 40 CO -0.05 -1.55 0.00 1.97 -0.65 0.00 0.00 174.74 174.46 2agg n PHE 41 N 4.32 0.00 -3.51 3.88 1.16 -0.55 -4.97 117.46 117.79 2agg n PHE 41 Ca 0.10 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.60 2agg n PHE 41 Cb 0.46 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 2agg n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2agg s GLY 43 N -2.54 1.72 0.11 0.00 0.00 0.42 -0.79 107.32 106.24 2agg s GLY 43 Ca 0.05 -2.06 -0.26 0.00 0.00 0.00 0.00 44.72 42.45 2agg s GLY 43 CO -0.09 -1.50 1.09 -0.32 0.00 0.00 0.00 173.10 172.28 2agg s GLY 44 N -4.75 -0.17 -0.08 0.20 0.00 -0.96 -3.66 107.32 97.90 2agg s GLY 44 Ca 0.65 0.12 0.02 0.00 0.00 0.00 0.00 44.72 45.51 2agg s GLY 44 CO 0.42 1.17 -0.13 -0.56 0.00 0.00 0.00 173.10 174.01 2agg s SER 45 N -3.16 1.97 -0.09 1.64 0.01 -0.09 -1.12 113.70 112.87 2agg s SER 45 Ca 0.17 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 2agg s SER 45 Cb -0.00 -0.89 -0.03 0.00 0.21 0.00 0.00 66.02 65.31 2agg s SER 45 CO 0.01 0.02 1.18 -0.22 0.41 0.00 0.00 173.24 174.64 2agg s LEU 46 N 0.82 4.25 -0.01 2.44 2.96 -0.20 -0.75 118.68 128.19 2agg s LEU 46 Ca -0.11 1.74 0.09 0.00 -0.22 0.00 0.00 54.13 55.62 2agg s LEU 46 Cb -0.15 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 2agg s LEU 46 CO 0.02 -0.59 0.29 2.30 -1.32 0.00 0.00 176.35 177.04 2agg n ILE 47 N 4.74 0.00 -3.71 6.68 -5.35 -0.32 -1.02 119.36 120.39 2agg n ILE 47 Ca 0.11 -0.25 -0.07 0.00 -0.27 0.00 0.00 62.75 62.27 2agg n ILE 47 Cb 0.46 0.68 0.02 0.00 -1.74 0.00 0.00 39.64 39.06 2agg n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2agg n ASN 48 N -1.48 -1.94 0.18 7.28 2.04 -1.19 -4.61 115.26 115.55 2agg n ASN 48 Ca 0.00 -2.30 0.14 0.00 -0.44 0.00 0.00 54.58 51.97 2agg n ASN 48 Cb 0.18 3.22 0.62 0.00 -2.53 0.00 0.00 39.78 41.26 2agg n ASN 48 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2agg h SER 49 N 1.72 0.00 -0.00 0.53 4.64 -1.97 -3.05 113.55 115.43 2agg h SER 49 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2agg h SER 49 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2agg h SER 49 CO 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 2agg n GLN 50 N -2.47 0.00 -3.90 4.77 6.02 -1.26 -0.40 117.38 120.15 2agg n GLN 50 Ca 0.00 -0.75 -0.13 0.00 -0.01 0.00 0.00 57.00 56.12 2agg n GLN 50 Cb 0.18 -1.00 -0.14 0.00 1.02 0.00 0.00 30.24 30.29 2agg n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2agg s TRP 51 N -0.25 0.05 -0.02 1.08 0.52 -1.15 -0.45 118.94 118.72 2agg s TRP 51 Ca 0.00 -0.00 0.07 0.00 0.02 0.00 0.00 56.10 56.19 2agg s TRP 51 Cb 0.00 -0.05 -0.02 0.00 -1.15 0.00 0.00 33.47 32.26 2agg s TRP 51 CO 0.00 -0.01 -0.24 0.08 0.02 0.00 0.00 176.95 176.81 2agg s VAL 52 N 0.05 1.85 -0.18 4.03 1.01 0.22 -1.17 120.40 126.22 2agg s VAL 52 Ca -0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 2agg s VAL 52 Cb -0.01 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2agg s VAL 52 CO -0.00 0.52 0.11 -0.69 0.00 0.00 0.00 175.10 175.04 2agg s VAL 53 N -0.55 5.27 0.00 2.92 1.01 0.07 -0.72 120.40 128.40 2agg s VAL 53 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2agg s VAL 53 Cb -0.09 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2agg s VAL 53 CO -0.01 0.48 0.00 -0.24 0.00 0.00 0.00 175.10 175.33 2agg n SER 54 N 3.24 0.00 -4.83 3.32 2.88 -0.06 -0.91 113.62 117.27 2agg n SER 54 Ca -0.17 -0.60 -0.37 0.00 -1.33 0.00 0.00 58.87 56.40 2agg n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 2agg n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2agg s ALA 55 N -1.86 3.74 0.40 -1.46 0.00 -1.26 -1.07 121.76 120.25 2agg s ALA 55 Ca 0.00 -0.41 0.15 0.00 0.00 0.00 0.00 51.96 51.70 2agg s ALA 55 Cb 0.00 -2.25 1.02 0.00 0.00 0.00 0.00 23.12 21.89 2agg s ALA 55 CO 0.00 0.45 1.86 0.00 0.00 0.00 0.00 175.76 178.07 2agg h ALA 56 N 5.21 2.10 0.00 0.00 0.00 -1.66 -1.50 119.26 123.42 2agg h ALA 56 Ca -0.51 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2agg h ALA 56 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2agg h ALA 56 CO 0.63 -0.37 0.00 1.58 0.00 0.00 0.00 179.25 181.09 2agg n HIS 57 N -4.53 0.84 1.28 0.00 -0.00 -1.26 -1.63 115.22 109.92 2agg n HIS 57 Ca 0.18 0.34 0.14 0.00 -0.00 0.00 0.00 57.72 58.39 2agg n HIS 57 Cb 0.63 -1.05 0.66 0.00 -0.00 0.00 0.00 29.99 30.23 2agg n HIS 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2agg n TYR 59 N -1.30 2.69 -3.73 0.00 4.19 -0.64 -4.99 117.16 113.37 2agg n TYR 59 Ca 0.12 0.34 -0.07 0.00 3.31 0.00 0.00 57.90 61.60 2agg n TYR 59 Cb 0.28 -2.55 -0.02 0.00 0.49 0.00 0.00 39.34 37.55 2agg n TYR 59 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2agg s LYS 60 N -0.83 1.46 0.75 2.98 -2.85 -1.26 -5.14 119.74 114.85 2agg s LYS 60 Ca 0.63 -0.76 -0.12 0.00 -1.00 0.00 0.00 55.97 54.72 2agg s LYS 60 Cb -0.53 0.53 0.05 0.00 -2.06 0.00 0.00 37.83 35.82 2agg s LYS 60 CO 0.52 -0.67 1.11 -1.12 0.10 0.00 0.00 175.35 175.29 2agg s SER 61 N -2.86 4.54 -0.58 0.03 0.01 -1.26 -4.42 113.70 109.17 2agg s SER 61 Ca 0.09 1.94 -0.02 0.00 1.31 0.00 0.00 55.95 59.27 2agg s SER 61 Cb -0.04 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2agg s SER 61 CO 0.01 -2.01 0.28 0.61 0.41 0.00 0.00 173.24 172.54 2agg n GLY 62 N -0.79 0.26 3.71 3.44 0.00 -1.26 -5.00 105.19 105.55 2agg n GLY 62 Ca 0.10 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2agg n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2agg s ILE 63 N -2.85 4.97 -0.17 -0.61 1.01 -1.26 -4.56 121.20 117.73 2agg s ILE 63 Ca 0.14 1.70 -0.03 0.00 0.00 0.00 0.00 60.65 62.46 2agg s ILE 63 Cb -0.06 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 2agg s ILE 63 CO 0.17 0.21 -0.06 -1.58 0.00 0.00 0.00 174.94 173.68 2agg s GLN 64 N 0.91 3.49 -0.10 2.79 0.74 -0.34 -1.32 119.66 125.82 2agg s GLN 64 Ca 0.43 -0.60 -0.20 0.00 0.05 0.00 0.00 55.36 55.04 2agg s GLN 64 Cb -0.19 -2.88 -0.04 0.00 1.10 0.00 0.00 33.01 31.01 2agg s GLN 64 CO 0.22 0.08 0.58 0.08 -0.55 0.00 0.00 175.29 175.69 2agg s VAL 65 N 0.76 5.12 -0.29 1.34 1.01 0.70 -0.75 120.40 128.30 2agg s VAL 65 Ca -0.03 1.17 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 2agg s VAL 65 Cb -0.15 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.36 2agg s VAL 65 CO 0.02 0.28 0.00 -0.13 0.00 0.00 0.00 175.10 175.27 2agg s ARG 66 N 0.77 2.61 0.19 2.72 0.52 0.07 -0.94 118.95 124.90 2agg s ARG 66 Ca 0.31 -1.15 0.05 0.00 -0.52 0.00 0.00 55.73 54.42 2agg s ARG 66 Cb -0.16 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 2agg s ARG 66 CO 0.13 -0.55 0.20 -0.51 0.02 0.00 0.00 175.30 174.59 2agg s LEU 67 N 1.31 3.96 -0.73 2.53 1.02 0.11 -1.39 118.68 125.49 2agg s LEU 67 Ca -0.03 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.04 2agg s LEU 67 Cb -0.19 -2.54 0.00 0.00 0.02 0.00 0.00 46.19 43.48 2agg s LEU 67 CO -0.01 0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.99 2agg n GLY 69 N -0.70 0.88 3.80 -3.19 0.00 -1.26 -1.18 105.19 103.53 2agg n GLY 69 Ca -0.08 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 2agg n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2agg s GLU 70 N -2.27 4.40 0.00 1.61 0.41 -1.26 -4.05 118.70 117.54 2agg s GLU 70 Ca 0.00 1.11 0.00 0.00 -0.41 0.00 0.00 54.97 55.67 2agg s GLU 70 Cb 0.00 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 2agg s GLU 70 CO 0.00 0.29 0.00 -3.47 -0.49 0.00 0.00 175.26 171.59 2agg n ASP 71 N 0.49 0.00 -4.61 -0.19 2.03 -1.26 -4.58 116.55 108.43 2agg n ASP 71 Ca 0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.89 2agg n ASP 71 Cb 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 2agg n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2agg s ASN 72 N -2.25 6.58 0.00 1.67 3.84 -1.26 -3.04 114.94 120.48 2agg s ASN 72 Ca 0.00 0.73 0.29 0.00 0.21 0.00 0.00 52.86 54.09 2agg s ASN 72 Cb 0.00 -2.54 1.63 0.00 -0.55 0.00 0.00 41.25 39.78 2agg s ASN 72 CO 0.00 -1.25 2.05 2.30 -2.79 0.00 0.00 177.10 177.41 2agg n ILE 73 N 6.74 0.03 0.68 -5.21 -5.35 -0.33 -3.09 119.36 112.84 2agg n ILE 73 Ca 0.14 0.01 0.08 0.00 -0.27 0.00 0.00 62.75 62.70 2agg n ILE 73 Cb 0.48 -0.54 0.01 0.00 -1.74 0.00 0.00 39.64 37.85 2agg n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2agg n ASN 74 N -1.12 1.73 -3.85 7.28 3.02 -1.26 -4.97 115.26 116.10 2agg n ASN 74 Ca 0.19 -1.36 -0.16 0.00 -0.03 0.00 0.00 54.58 53.21 2agg n ASN 74 Cb 0.15 0.38 -0.16 0.00 -0.61 0.00 0.00 39.78 39.54 2agg n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2agg s VAL 75 N -1.74 0.18 -0.45 2.41 1.01 -1.18 -5.11 120.40 115.52 2agg s VAL 75 Ca 0.14 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2agg s VAL 75 Cb 0.13 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.30 2agg s VAL 75 CO 0.35 0.12 1.15 -0.69 0.00 0.00 0.00 175.10 176.03 2agg s VAL 76 N 0.69 4.23 -0.21 2.92 1.01 -1.26 -4.72 120.40 123.06 2agg s VAL 76 Ca -0.07 1.28 0.10 0.00 0.00 0.00 0.00 61.98 63.30 2agg s VAL 76 Cb -0.10 -4.55 -0.14 0.00 0.00 0.00 0.00 36.38 31.59 2agg s VAL 76 CO -0.01 -0.92 0.32 -0.62 0.00 0.00 0.00 175.10 173.87 2agg n GLU 77 N 7.72 1.70 0.00 2.72 1.02 -1.26 -5.10 120.64 127.43 2agg n GLU 77 Ca 0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2agg n GLU 77 Cb 0.49 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 2agg n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2agg n GLY 78 N 1.63 2.89 3.17 0.62 0.00 -1.26 -5.01 105.19 107.24 2agg n GLY 78 Ca -0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2agg n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2agg n ASN 79 N 0.00 0.00 -4.78 1.61 3.02 -1.26 -4.95 115.26 108.90 2agg n ASN 79 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 2agg n ASN 79 Cb 0.00 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.87 2agg n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2agg s GLU 80 N -0.07 4.36 -0.10 3.52 8.01 -1.26 -4.30 118.70 128.86 2agg s GLU 80 Ca 0.00 1.51 0.01 0.00 0.01 0.00 0.00 54.97 56.49 2agg s GLU 80 Cb 0.00 -2.72 0.02 0.00 -4.31 0.00 0.00 34.13 27.12 2agg s GLU 80 CO 0.00 0.04 -0.09 -0.65 0.01 0.00 0.00 175.26 174.56 2agg s GLN 81 N -2.20 1.59 -0.24 1.61 -0.21 -0.33 -4.98 119.66 114.91 2agg s GLN 81 Ca 0.53 -0.31 -0.07 0.00 0.02 0.00 0.00 55.36 55.52 2agg s GLN 81 Cb -0.23 -1.52 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 2agg s GLN 81 CO 0.29 -0.16 0.08 -0.06 -2.12 0.00 0.00 175.29 173.31 2agg s PHE 82 N 1.31 3.12 -0.05 0.91 2.99 -1.26 -0.71 117.98 124.29 2agg s PHE 82 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 56.93 56.61 2agg s PHE 82 Cb -0.14 -2.22 0.02 0.00 0.00 0.00 0.00 43.02 40.69 2agg s PHE 82 CO -0.04 -0.26 -0.03 0.42 -0.00 0.00 0.00 175.22 175.32 2agg s ILE 83 N 1.40 0.43 0.49 0.64 1.01 -0.11 -4.98 121.20 120.08 2agg s ILE 83 Ca 0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.45 2agg s ILE 83 Cb -0.15 -0.50 -0.07 0.00 0.01 0.00 0.00 42.46 41.76 2agg s ILE 83 CO 0.04 0.22 1.22 -0.44 0.00 0.00 0.00 174.94 175.97 2agg s SER 84 N 1.17 5.90 0.20 3.58 0.01 -1.26 -0.21 113.70 123.08 2agg s SER 84 Ca -0.07 2.42 -0.30 0.00 1.31 0.00 0.00 55.95 59.31 2agg s SER 84 Cb -0.14 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.39 2agg s SER 84 CO -0.01 -1.11 1.33 0.00 0.41 0.00 0.00 173.24 173.85 2agg s ALA 85 N -1.49 3.54 -0.09 1.44 0.00 -0.44 -0.97 121.76 123.76 2agg s ALA 85 Ca 0.66 1.14 0.17 0.00 0.00 0.00 0.00 51.96 53.94 2agg s ALA 85 Cb -0.32 -3.50 -0.26 0.00 0.00 0.00 0.00 23.12 19.05 2agg s ALA 85 CO 0.38 -0.57 0.25 -1.13 0.00 0.00 0.00 175.76 174.69 2agg n SER 86 N 2.66 0.73 -3.93 0.00 3.41 0.81 -4.74 113.62 112.56 2agg n SER 86 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.55 2agg n SER 86 Cb 0.42 1.44 -0.13 0.00 -0.26 0.00 0.00 64.21 65.68 2agg n SER 86 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2agg s LYS 87 N -2.91 0.21 -0.22 4.33 1.02 -1.13 -4.97 119.74 116.07 2agg s LYS 87 Ca -0.08 -0.21 -0.01 0.00 0.02 0.00 0.00 55.97 55.69 2agg s LYS 87 Cb 0.09 -0.13 0.06 0.00 -0.52 0.00 0.00 37.83 37.33 2agg s LYS 87 CO 0.75 0.03 -0.00 -1.12 -0.92 0.00 0.00 175.35 174.08 2agg s SER 88 N -0.39 3.38 -0.37 2.83 0.01 -1.26 -0.87 113.70 117.02 2agg s SER 88 Ca -0.03 -1.01 -0.02 0.00 1.31 0.00 0.00 55.95 56.21 2agg s SER 88 Cb -0.03 -0.87 0.09 0.00 0.21 0.00 0.00 66.02 65.42 2agg s SER 88 CO -0.00 -0.28 0.13 -0.63 0.41 0.00 0.00 173.24 172.87 2agg s ILE 89 N 1.64 3.07 0.36 1.44 1.01 0.12 -4.97 121.20 123.86 2agg s ILE 89 Ca -0.03 -1.93 -0.25 0.00 0.00 0.00 0.00 60.65 58.44 2agg s ILE 89 Cb -0.18 -3.04 -0.09 0.00 0.01 0.00 0.00 42.46 39.15 2agg s ILE 89 CO -0.08 -0.54 1.01 -0.69 0.00 0.00 0.00 174.94 174.65 2agg s VAL 90 N 1.13 3.92 0.21 2.92 1.01 -1.26 -1.02 120.40 127.31 2agg s VAL 90 Ca 0.05 1.53 -0.32 0.00 0.00 0.00 0.00 61.98 63.24 2agg s VAL 90 Cb -0.21 -3.82 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 2agg s VAL 90 CO -0.04 0.07 1.62 1.57 0.00 0.00 0.00 175.10 178.32 2agg n HIS 91 N 0.23 2.54 0.27 5.22 -0.00 -0.72 -4.83 115.22 117.92 2agg n HIS 91 Ca 0.04 0.19 0.17 0.00 0.46 0.00 0.00 57.72 58.58 2agg n HIS 91 Cb 0.50 -2.59 0.92 0.00 -0.12 0.00 0.00 29.99 28.70 2agg n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2agg h PRO 92 N 5.89 0.00 -0.70 1.57 0.11 -1.93 -1.57 132.00 135.37 2agg h PRO 92 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2agg h PRO 92 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2agg h PRO 92 CO 0.89 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.11 2agg n SER 93 N -3.67 4.36 -4.70 -2.05 7.64 -1.26 -4.95 113.62 108.99 2agg n SER 93 Ca -0.01 -2.23 -0.43 0.00 1.01 0.00 0.00 58.87 57.20 2agg n SER 93 Cb 0.19 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 2agg n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2agg n TYR 94 N 1.39 2.59 -3.86 1.43 4.19 -0.59 -4.65 117.16 117.64 2agg n TYR 94 Ca 0.25 0.02 -0.36 0.00 3.31 0.00 0.00 57.90 61.13 2agg n TYR 94 Cb 0.76 -2.67 -0.13 0.00 0.49 0.00 0.00 39.34 37.79 2agg n TYR 94 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 2agg s ASN 95 N 1.78 4.70 0.10 2.98 3.84 -0.82 -5.01 114.94 122.51 2agg s ASN 95 Ca 0.79 -0.78 0.20 0.00 0.21 0.00 0.00 52.86 53.29 2agg s ASN 95 Cb -0.54 -1.77 0.84 0.00 -0.55 0.00 0.00 41.25 39.22 2agg s ASN 95 CO 0.36 -0.15 1.64 -1.54 -2.79 0.00 0.00 177.10 174.61 2agg n SER 96 N 4.76 0.27 -0.03 -4.21 3.41 -1.26 -0.36 113.62 116.21 2agg n SER 96 Ca -0.16 0.56 -0.19 0.00 -0.26 0.00 0.00 58.87 58.82 2agg n SER 96 Cb 0.48 -0.62 -0.14 0.00 -0.26 0.00 0.00 64.21 63.67 2agg n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2agg n ASN 97 N -1.79 1.87 0.00 4.04 5.03 -1.26 -4.45 115.26 118.70 2agg n ASN 97 Ca 0.04 0.16 0.11 0.00 0.87 0.00 0.00 54.58 55.76 2agg n ASN 97 Cb 0.24 -0.61 -0.11 0.00 -1.02 0.00 0.00 39.78 38.28 2agg n ASN 97 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2agg n THR 98 N -3.36 0.03 -1.77 3.41 -2.24 -1.18 -4.97 114.28 104.20 2agg n THR 98 Ca -0.33 -0.21 -0.19 0.00 -2.27 0.00 0.00 64.05 61.05 2agg n THR 98 Cb 1.04 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 2agg n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2agg n LEU 99 N -1.84 -1.53 -4.77 3.22 4.32 0.51 -4.99 117.00 111.92 2agg n LEU 99 Ca 0.01 0.35 -0.41 0.00 -0.02 0.00 0.00 56.01 55.94 2agg n LEU 99 Cb 0.43 -2.71 -0.02 0.00 -1.62 0.00 0.00 43.42 39.50 2agg n LEU 99 CO 0.43 -0.80 0.99 0.21 -1.22 0.00 0.00 177.39 177.00 2agg s ASN 100 N -2.62 6.76 -1.01 -1.43 3.04 -1.24 -3.18 114.94 115.26 2agg s ASN 100 Ca 0.00 2.69 -0.04 0.00 0.04 0.00 0.00 52.86 55.55 2agg s ASN 100 Cb 0.00 -2.65 0.00 0.00 -1.54 0.00 0.00 41.25 37.07 2agg s ASN 100 CO 0.00 -0.55 0.86 0.59 -3.04 0.00 0.00 177.10 174.96 2agg n ASN 101 N 0.94 -3.90 -4.21 -4.21 5.03 -1.26 -1.94 115.26 105.70 2agg n ASN 101 Ca 0.01 -0.45 -0.43 0.00 0.87 0.00 0.00 54.58 54.58 2agg n ASN 101 Cb 0.42 -4.09 0.00 0.00 -1.02 0.00 0.00 39.78 35.09 2agg n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2agg n ASP 102 N -2.32 4.84 -3.78 6.41 2.03 -1.19 -4.24 116.55 118.30 2agg n ASP 102 Ca -0.10 -2.97 -0.13 0.00 0.52 0.00 0.00 54.79 52.12 2agg n ASP 102 Cb 0.59 -1.61 -0.11 0.00 -0.72 0.00 0.00 41.12 39.26 2agg n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2agg s ILE 103 N 2.33 0.01 0.01 5.18 2.07 -1.26 -3.80 121.20 125.73 2agg s ILE 103 Ca 0.46 -0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.64 2agg s ILE 103 Cb 0.05 -0.42 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 2agg s ILE 103 CO 0.01 -0.03 -0.00 -0.32 -1.91 0.00 0.00 174.94 172.68 2agg s MET 104 N 0.01 0.22 -0.12 3.50 -2.45 -0.23 -1.76 119.30 118.46 2agg s MET 104 Ca -0.01 -0.37 -0.02 0.00 -1.25 0.00 0.00 55.69 54.04 2agg s MET 104 Cb -0.02 0.08 -0.03 0.00 1.25 0.00 0.00 34.83 36.11 2agg s MET 104 CO 0.01 -0.04 -0.05 -0.51 1.05 0.00 0.00 175.02 175.48 2agg s LEU 105 N -0.92 3.23 -0.17 4.11 1.43 -0.18 -0.88 118.68 125.30 2agg s LEU 105 Ca -0.10 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2agg s LEU 105 Cb -0.06 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 2agg s LEU 105 CO -0.00 0.26 -0.14 -0.63 0.23 0.00 0.00 176.35 176.07 2agg s ILE 106 N -0.18 2.75 -0.08 -0.59 1.01 0.10 0.12 121.20 124.33 2agg s ILE 106 Ca 0.03 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 2agg s ILE 106 Cb -0.13 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 2agg s ILE 106 CO 0.03 0.50 0.37 -0.75 0.00 0.00 0.00 174.94 175.08 2agg s LYS 107 N 0.99 4.07 0.27 2.79 2.20 -0.05 -0.61 119.74 129.39 2agg s LYS 107 Ca -0.02 0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 55.62 2agg s LYS 107 Cb -0.15 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.76 2agg s LYS 107 CO -0.02 0.46 0.88 -0.51 -0.36 0.00 0.00 175.35 175.79 2agg s LEU 108 N -0.27 4.44 0.35 5.43 1.43 0.41 -0.13 118.68 130.33 2agg s LEU 108 Ca 0.21 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 55.10 2agg s LEU 108 Cb -0.15 -3.75 0.65 0.00 0.03 0.00 0.00 46.19 42.97 2agg s LEU 108 CO 0.09 0.04 1.96 0.50 0.23 0.00 0.00 176.35 179.17 2agg h LYS 109 N 3.58 0.68 -4.86 1.70 3.64 -1.34 -3.43 116.57 116.53 2agg h LYS 109 Ca -0.47 -0.08 -0.30 0.00 -1.27 0.00 0.00 60.65 58.54 2agg h LYS 109 Cb 1.20 -0.14 -0.17 0.00 -0.41 0.00 0.00 32.23 32.71 2agg h LYS 109 CO 0.66 0.53 -0.72 -1.54 -2.27 0.00 0.00 179.45 176.10 2agg s SER 110 N -6.61 1.34 0.31 4.20 1.04 -1.26 -4.99 113.70 107.73 2agg s SER 110 Ca -0.09 -0.83 -0.29 0.00 0.48 0.00 0.00 55.95 55.22 2agg s SER 110 Cb 0.17 0.03 -0.10 0.00 0.10 0.00 0.00 66.02 66.21 2agg s SER 110 CO 0.76 -0.30 1.36 0.00 0.98 0.00 0.00 173.24 176.04 2agg s ALA 111 N -2.60 3.54 0.59 5.32 0.00 -1.26 -4.88 121.76 122.47 2agg s ALA 111 Ca 0.06 1.30 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 2agg s ALA 111 Cb -0.02 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2agg s ALA 111 CO -0.01 -0.70 1.15 0.00 0.00 0.00 0.00 175.76 176.20 2agg s ALA 112 N -0.76 2.58 -0.35 0.00 0.00 0.46 -5.00 121.76 118.69 2agg s ALA 112 Ca 0.52 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 53.07 2agg s ALA 112 Cb -0.41 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.34 2agg s ALA 112 CO 0.50 -1.02 0.73 -1.12 0.00 0.00 0.00 175.76 174.85 2agg s SER 113 N -1.93 6.52 0.15 0.00 0.01 -1.26 -4.85 113.70 112.34 2agg s SER 113 Ca 0.73 0.31 -0.19 0.00 1.31 0.00 0.00 55.95 58.10 2agg s SER 113 Cb -0.25 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.54 2agg s SER 113 CO 0.32 -0.67 0.65 -0.76 0.41 0.00 0.00 173.24 173.19 2agg s LEU 114 N 2.94 4.44 0.00 2.44 1.43 -1.26 -4.81 118.68 123.87 2agg s LEU 114 Ca 0.29 1.34 -0.04 0.00 -1.03 0.00 0.00 54.13 54.69 2agg s LEU 114 Cb -0.14 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.85 2agg s LEU 114 CO 0.16 0.15 0.20 -0.46 0.23 0.00 0.00 176.35 176.63 2agg n ASN 115 N 1.20 -0.52 0.26 2.29 0.23 -0.05 -4.99 115.26 113.69 2agg n ASN 115 Ca -0.06 -1.35 0.14 0.00 -0.53 0.00 0.00 54.58 52.78 2agg n ASN 115 Cb 0.51 0.86 0.70 0.00 -2.08 0.00 0.00 39.78 39.77 2agg n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2agg h SER 116 N 0.47 0.00 0.14 0.53 4.64 -2.00 -2.77 113.55 114.56 2agg h SER 116 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2agg h SER 116 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2agg h SER 116 CO 0.10 0.11 -1.02 0.54 -0.87 0.00 0.00 176.83 175.68 2agg n ARG 117 N -3.40 0.11 -3.66 4.77 1.74 -1.26 -4.76 116.66 110.20 2agg n ARG 117 Ca -0.01 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 2agg n ARG 117 Cb 0.28 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 30.05 2agg n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2agg s VAL 118 N -3.08 0.39 -0.03 1.55 1.01 -1.04 -4.34 120.40 114.86 2agg s VAL 118 Ca 0.06 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2agg s VAL 118 Cb 0.16 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.36 2agg s VAL 118 CO 0.84 -0.54 0.21 0.00 0.00 0.00 0.00 175.10 175.60 2agg s ALA 119 N 1.88 -0.51 0.63 5.51 0.00 -0.81 -0.87 121.76 127.59 2agg s ALA 119 Ca 0.06 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 2agg s ALA 119 Cb -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2agg s ALA 119 CO -0.23 -0.19 1.04 -1.12 0.00 0.00 0.00 175.76 175.25 2agg s SER 120 N -0.91 5.91 -0.07 0.00 0.01 -1.26 -2.76 113.70 114.61 2agg s SER 120 Ca -0.10 1.56 0.02 0.00 1.31 0.00 0.00 55.95 58.74 2agg s SER 120 Cb -0.05 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2agg s SER 120 CO 0.02 -1.08 -0.11 -0.51 0.41 0.00 0.00 173.24 171.96 2agg s ILE 121 N -2.96 3.31 0.44 1.44 1.10 -0.19 -4.87 121.20 119.47 2agg s ILE 121 Ca 0.58 -0.62 -0.24 0.00 -0.51 0.00 0.00 60.65 59.86 2agg s ILE 121 Cb -0.13 -2.34 -0.08 0.00 0.15 0.00 0.00 42.46 40.07 2agg s ILE 121 CO 0.49 0.58 1.24 -0.55 -2.11 0.00 0.00 174.94 174.59 2agg s SER 122 N -0.53 6.16 0.53 4.50 0.15 -1.26 -4.58 113.70 118.68 2agg s SER 122 Ca 0.07 2.51 -0.11 0.00 0.70 0.00 0.00 55.95 59.12 2agg s SER 122 Cb -0.12 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 2agg s SER 122 CO 0.02 -0.94 0.94 -0.76 1.20 0.00 0.00 173.24 173.69 2agg s LEU 123 N -2.78 3.50 0.59 3.45 1.43 -1.26 -1.13 118.68 122.49 2agg s LEU 123 Ca 0.61 1.33 -0.19 0.00 -1.03 0.00 0.00 54.13 54.85 2agg s LEU 123 Cb -0.34 -4.31 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 2agg s LEU 123 CO 0.42 -0.67 1.24 -2.84 0.23 0.00 0.00 176.35 174.73 2agg s PRO 124 N -4.59 2.95 -0.02 1.29 0.02 -1.26 -4.77 135.00 128.62 2agg s PRO 124 Ca 0.54 1.91 0.21 0.00 0.02 0.00 0.00 61.00 63.68 2agg s PRO 124 Cb -0.10 -1.97 -0.31 0.00 0.02 0.00 0.00 34.50 32.13 2agg s PRO 124 CO 0.43 -1.24 0.54 0.25 -0.33 0.00 0.00 177.00 176.64 2agg n THR 125 N -1.54 0.00 -3.97 0.99 -2.24 -1.26 -4.96 114.28 101.31 2agg n THR 125 Ca 0.13 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 2agg n THR 125 Cb 0.49 0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 2agg n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2agg s SER 127 N -4.21 0.03 0.65 3.42 1.04 -1.26 -5.17 113.70 108.20 2agg s SER 127 Ca -0.05 -0.89 -0.14 0.00 0.48 0.00 0.00 55.95 55.35 2agg s SER 127 Cb 0.14 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 2agg s SER 127 CO 0.88 -0.91 1.07 0.00 0.98 0.00 0.00 173.24 175.27 2agg s ALA 129 N -2.59 3.57 0.31 0.00 0.00 -1.26 -5.10 121.76 116.70 2agg s ALA 129 Ca 0.63 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2agg s ALA 129 Cb -0.17 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2agg s ALA 129 CO 0.44 0.25 0.51 -1.54 0.00 0.00 0.00 175.76 175.42 2agg s SER 130 N -3.03 6.32 0.20 0.00 1.04 -1.26 -5.04 113.70 111.93 2agg s SER 130 Ca 0.46 0.44 -0.32 0.00 0.48 0.00 0.00 55.95 57.00 2agg s SER 130 Cb -0.11 -2.03 -0.15 0.00 0.10 0.00 0.00 66.02 63.84 2agg s SER 130 CO 0.29 -0.23 1.21 0.00 0.98 0.00 0.00 173.24 175.48 2agg n ALA 132 N -1.52 -0.32 0.00 5.32 0.00 -1.26 -2.01 120.51 120.71 2agg n ALA 132 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2agg n ALA 132 Cb 0.56 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2agg n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2agg n GLY 133 N 1.99 1.14 3.73 0.00 0.00 0.50 -4.98 105.19 107.57 2agg n GLY 133 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2agg n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2agg s THR 134 N -2.32 2.80 0.06 2.61 2.01 -0.85 -4.68 115.64 115.27 2agg s THR 134 Ca 0.00 0.60 -0.21 0.00 0.31 0.00 0.00 61.69 62.39 2agg s THR 134 Cb 0.00 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 2agg s THR 134 CO 0.00 0.06 0.62 -1.10 -0.69 0.00 0.00 174.62 173.51 2agg s GLN 135 N 0.67 4.31 0.19 4.92 -1.52 -1.26 -1.34 119.66 125.63 2agg s GLN 135 Ca 0.65 0.81 0.02 0.00 -1.95 0.00 0.00 55.36 54.90 2agg s GLN 135 Cb -0.41 -3.28 -0.05 0.00 -0.22 0.00 0.00 33.01 29.04 2agg s GLN 135 CO 0.34 0.52 -0.00 0.00 -0.25 0.00 0.00 175.29 175.90 2agg s LEU 137 N -3.22 3.07 -0.06 0.00 2.96 0.51 -1.12 118.68 120.81 2agg s LEU 137 Ca 0.26 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.93 2agg s LEU 137 Cb 0.06 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2agg s LEU 137 CO 0.06 0.05 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.29 2agg s ILE 138 N 1.08 2.40 0.05 6.68 1.01 0.07 -1.40 121.20 131.09 2agg s ILE 138 Ca 0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 2agg s ILE 138 Cb -0.15 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 2agg s ILE 138 CO 0.00 0.57 0.08 -0.94 0.00 0.00 0.00 174.94 174.65 2agg s SER 139 N -0.24 0.23 0.00 3.58 1.04 -1.21 -0.69 113.70 116.42 2agg s SER 139 Ca -0.01 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2agg s SER 139 Cb -0.13 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2agg s SER 139 CO 0.03 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2agg n GLY 140 N 0.56 0.15 1.31 7.32 0.00 -0.43 -4.38 105.19 109.73 2agg n GLY 140 Ca -0.18 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 44.81 2agg n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2agg n TRP 141 N -0.47 1.47 -1.50 1.61 8.01 -1.26 -1.86 117.44 123.43 2agg n TRP 141 Ca 0.00 -1.14 -0.22 0.00 -1.31 0.00 0.00 57.50 54.83 2agg n TRP 141 Cb 0.00 -0.47 0.16 0.00 -2.01 0.00 0.00 31.31 28.99 2agg n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2agg n GLY 142 N -0.52 -1.73 3.65 6.99 0.00 -1.25 -4.34 105.19 108.00 2agg n GLY 142 Ca 0.30 -1.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 2agg n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2agg n ASN 143 N -3.83 2.25 -0.87 1.61 5.15 0.57 -2.88 115.26 117.26 2agg n ASN 143 Ca 0.12 1.18 0.09 0.00 -0.60 0.00 0.00 54.58 55.38 2agg n ASN 143 Cb 0.44 -1.40 0.14 0.00 -0.53 0.00 0.00 39.78 38.43 2agg n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2agg n THR 144 N 0.65 0.36 -5.00 -0.44 -2.24 -0.22 -0.93 114.28 106.46 2agg n THR 144 Ca 0.08 -0.68 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 2agg n THR 144 Cb 0.33 1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 69.50 2agg n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2agg s LYS 145 N -1.37 2.40 0.44 -0.78 1.02 -1.26 -4.41 119.74 115.78 2agg s LYS 145 Ca 0.28 -0.76 0.24 0.00 0.02 0.00 0.00 55.97 55.75 2agg s LYS 145 Cb 0.17 -2.29 0.41 0.00 -0.52 0.00 0.00 37.83 35.61 2agg s LYS 145 CO 0.25 0.61 1.63 0.66 -0.92 0.00 0.00 175.35 177.58 2agg h SER 146 N 5.38 0.00 -3.34 2.83 4.64 -1.93 -3.43 113.55 117.69 2agg h SER 146 Ca -0.46 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.46 2agg h SER 146 Cb 1.14 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.87 2agg h SER 146 CO 0.49 0.02 -0.76 -0.55 -0.87 0.00 0.00 176.83 175.16 2agg s SER 147 N -6.18 1.20 0.00 4.97 0.15 -1.26 -4.68 113.70 107.91 2agg s SER 147 Ca 0.06 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2agg s SER 147 Cb 0.05 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 2agg s SER 147 CO 0.66 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2agg n GLY 148 N 4.76 -1.71 2.92 9.45 0.00 -1.26 -4.97 105.19 114.38 2agg n GLY 148 Ca -0.14 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 2agg n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2agg s THR 149 N 0.00 -0.01 -0.19 2.61 -4.23 -1.26 -4.65 115.64 107.91 2agg s THR 149 Ca 0.00 0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.49 2agg s THR 149 Cb 0.00 -0.13 0.09 0.00 1.34 0.00 0.00 72.50 73.80 2agg s THR 149 CO 0.00 0.02 0.41 -0.55 -0.54 0.00 0.00 174.62 173.96 2agg s SER 150 N 0.31 -0.26 -0.18 3.99 0.15 -1.26 -4.96 113.70 111.49 2agg s SER 150 Ca -0.02 0.96 -0.06 0.00 0.70 0.00 0.00 55.95 57.53 2agg s SER 150 Cb -0.03 1.25 -0.04 0.00 -1.71 0.00 0.00 66.02 65.49 2agg s SER 150 CO -0.01 -0.23 0.04 -0.31 1.20 0.00 0.00 173.24 173.93 2agg s TYR 151 N 2.44 3.19 0.53 3.44 2.02 -1.26 -1.06 117.35 126.65 2agg s TYR 151 Ca -0.03 -0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.53 2agg s TYR 151 Cb -0.11 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.34 2agg s TYR 151 CO -0.13 0.09 0.93 -1.25 -1.57 0.00 0.00 175.55 173.62 2agg s PRO 152 N 0.41 3.70 -0.03 -1.71 0.04 -1.26 -5.00 135.00 131.16 2agg s PRO 152 Ca 0.01 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.49 2agg s PRO 152 Cb -0.13 -2.20 -0.26 0.00 0.04 0.00 0.00 34.50 31.95 2agg s PRO 152 CO 0.01 -0.34 1.01 -0.44 0.04 0.00 0.00 177.00 177.28 2agg h ASP 153 N 0.35 0.43 -2.09 6.66 3.32 -1.94 -3.46 116.42 119.68 2agg h ASP 153 Ca -0.46 -0.83 -0.47 0.00 0.02 0.00 0.00 57.03 55.29 2agg h ASP 153 Cb 1.19 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2agg h ASP 153 CO 0.62 1.21 -0.43 0.68 -1.72 0.00 0.00 179.24 179.60 2agg s VAL 154 N -2.92 4.73 0.28 -1.35 -7.23 -1.26 -1.19 120.40 111.46 2agg s VAL 154 Ca -0.14 -1.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 2agg s VAL 154 Cb 0.02 -3.63 -0.10 0.00 0.56 0.00 0.00 36.38 33.24 2agg s VAL 154 CO 0.80 -0.29 1.24 -0.22 -0.31 0.00 0.00 175.10 176.32 2agg s LEU 155 N -3.99 4.46 0.17 1.32 2.96 -1.17 -4.85 118.68 117.59 2agg s LEU 155 Ca 0.36 2.48 0.08 0.00 -0.22 0.00 0.00 54.13 56.83 2agg s LEU 155 Cb -0.09 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2agg s LEU 155 CO 0.28 -0.41 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.29 2agg s LYS 156 N -1.23 2.13 0.07 1.98 -0.14 -0.78 -1.87 119.74 119.90 2agg s LYS 156 Ca 0.49 -1.22 0.04 0.00 -1.36 0.00 0.00 55.97 53.92 2agg s LYS 156 Cb -0.36 -2.20 -0.03 0.00 -1.68 0.00 0.00 37.83 33.55 2agg s LYS 156 CO 0.45 0.44 -0.10 0.00 -0.76 0.00 0.00 175.35 175.38 2agg s LEU 158 N -2.04 0.13 -0.09 0.00 2.96 0.14 -1.02 118.68 118.76 2agg s LEU 158 Ca -0.01 0.72 -0.20 0.00 -0.22 0.00 0.00 54.13 54.42 2agg s LEU 158 Cb -0.06 1.05 -0.04 0.00 0.50 0.00 0.00 46.19 47.63 2agg s LEU 158 CO 0.01 -0.18 0.56 -0.54 -1.32 0.00 0.00 176.35 174.87 2agg s LYS 159 N 1.37 4.37 -0.13 1.98 1.02 -1.26 -0.75 119.74 126.34 2agg s LYS 159 Ca -0.09 0.62 -0.13 0.00 0.02 0.00 0.00 55.97 56.38 2agg s LYS 159 Cb -0.09 -3.43 0.04 0.00 -0.52 0.00 0.00 37.83 33.82 2agg s LYS 159 CO -0.11 0.15 0.37 0.00 -0.92 0.00 0.00 175.35 174.84 2agg s ALA 160 N 0.61 -0.91 0.30 5.17 0.00 -0.28 -4.96 121.76 121.69 2agg s ALA 160 Ca 0.30 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 2agg s ALA 160 Cb -0.16 -0.54 -0.08 0.00 0.00 0.00 0.00 23.12 22.34 2agg s ALA 160 CO 0.13 -0.19 0.67 -1.25 0.00 0.00 0.00 175.76 175.13 2agg s PRO 161 N 0.05 3.88 0.15 0.00 0.04 -1.26 -0.72 135.00 137.14 2agg s PRO 161 Ca -0.01 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.19 2agg s PRO 161 Cb -0.03 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 2agg s PRO 161 CO 0.01 0.18 1.29 0.42 0.04 0.00 0.00 177.00 178.93 2agg s ILE 162 N -2.00 3.44 0.42 0.56 1.01 -0.45 -0.96 121.20 123.22 2agg s ILE 162 Ca 0.51 1.13 -0.02 0.00 0.00 0.00 0.00 60.65 62.26 2agg s ILE 162 Cb -0.11 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 2agg s ILE 162 CO 0.22 0.14 0.67 -0.76 0.00 0.00 0.00 174.94 175.20 2agg s LEU 163 N 0.33 3.80 0.68 2.97 1.43 -0.00 -0.37 118.68 127.53 2agg s LEU 163 Ca 0.58 0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 2agg s LEU 163 Cb -0.35 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.32 2agg s LEU 163 CO 0.35 -0.46 1.21 -0.94 0.23 0.00 0.00 176.35 176.73 2agg s SER 164 N -4.08 4.55 0.32 2.29 1.04 -1.26 -4.63 113.70 111.91 2agg s SER 164 Ca 0.44 2.35 0.01 0.00 0.48 0.00 0.00 55.95 59.23 2agg s SER 164 Cb -0.10 -2.59 0.52 0.00 0.10 0.00 0.00 66.02 63.95 2agg s SER 164 CO 0.40 -2.03 1.92 -0.78 0.98 0.00 0.00 173.24 173.73 2agg h ASP 165 N 0.08 0.74 -0.45 7.02 -0.00 -1.97 -1.14 116.42 120.70 2agg h ASP 165 Ca -0.48 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.03 56.44 2agg h ASP 165 Cb 1.29 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 40.42 2agg h ASP 165 CO 0.52 0.64 0.19 0.77 -0.00 0.00 0.00 179.24 181.36 2agg h SER 166 N 0.82 0.62 -0.56 2.28 4.64 -1.99 -0.45 113.55 118.90 2agg h SER 166 Ca 0.20 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2agg h SER 166 Cb 0.11 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 2agg h SER 166 CO -0.02 0.60 0.16 -1.28 -0.87 0.00 0.00 176.83 175.41 2agg h SER 167 N 0.59 0.87 -0.26 4.97 0.87 -1.84 -0.57 113.55 118.18 2agg h SER 167 Ca 0.15 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2agg h SER 167 Cb 0.17 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2agg h SER 167 CO -0.01 0.84 0.10 0.00 -0.53 0.00 0.00 176.83 177.23 2agg h LYS 169 N 0.27 0.19 -0.32 0.00 1.57 -0.91 -1.20 116.57 116.17 2agg h LYS 169 Ca 0.09 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2agg h LYS 169 Cb 0.19 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2agg h LYS 169 CO -0.01 0.57 -0.11 1.03 -0.57 0.00 0.00 179.45 180.37 2agg h SER 170 N 0.16 0.52 0.62 0.86 0.87 -0.93 -1.80 113.55 113.86 2agg h SER 170 Ca 0.01 -0.13 -0.20 0.00 -1.23 0.00 0.00 61.79 60.24 2agg h SER 170 Cb 0.79 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2agg h SER 170 CO 0.06 0.67 -0.89 0.00 -0.53 0.00 0.00 176.83 176.14 2agg h ALA 171 N 1.39 0.50 -2.10 6.23 0.00 -0.85 -3.38 119.26 121.05 2agg h ALA 171 Ca 0.09 -0.74 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 2agg h ALA 171 Cb 0.49 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.79 2agg h ALA 171 CO 0.03 0.94 -0.95 0.66 0.00 0.00 0.00 179.25 179.93 2agg n TYR 172 N -3.63 1.59 -1.81 0.00 4.02 -0.50 -4.95 117.16 111.88 2agg n TYR 172 Ca -0.03 -3.86 -0.42 0.00 -0.01 0.00 0.00 57.90 53.58 2agg n TYR 172 Cb 0.82 -0.44 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 2agg n TYR 172 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2agg s PRO 173 N -2.47 4.15 0.00 -0.72 0.04 -0.69 -1.97 135.00 133.34 2agg s PRO 173 Ca 0.41 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.99 2agg s PRO 173 Cb 0.27 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2agg s PRO 173 CO -0.09 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2agg n GLY 174 N 2.39 0.65 0.00 0.56 0.00 -1.26 -4.84 105.19 102.70 2agg n GLY 174 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2agg n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2agg n GLN 175 N -2.04 5.00 -3.62 1.61 6.02 -0.83 -4.99 117.38 118.53 2agg n GLN 175 Ca 0.00 -0.11 -0.38 0.00 -0.01 0.00 0.00 57.00 56.50 2agg n GLN 175 Cb 0.04 -0.59 -0.11 0.00 1.02 0.00 0.00 30.24 30.59 2agg n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2agg s ILE 176 N -0.74 4.99 0.58 5.09 -1.09 -1.25 -5.02 121.20 123.75 2agg s ILE 176 Ca 0.00 -0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 2agg s ILE 176 Cb 0.00 -3.44 0.07 0.00 -1.58 0.00 0.00 42.46 37.51 2agg s ILE 176 CO 0.00 0.18 0.81 0.42 -1.23 0.00 0.00 174.94 175.12 2agg s THR 177 N 1.70 2.48 -0.59 2.92 -4.23 -1.26 -4.97 115.64 111.68 2agg s THR 177 Ca 0.06 -0.76 0.14 0.00 -1.18 0.00 0.00 61.69 59.95 2agg s THR 177 Cb -0.16 -2.71 0.14 0.00 1.34 0.00 0.00 72.50 71.10 2agg s THR 177 CO 0.09 0.00 1.43 -1.54 -0.54 0.00 0.00 174.62 174.06 2agg n SER 178 N -2.38 0.33 -1.65 3.99 3.41 -1.26 -2.09 113.62 113.97 2agg n SER 178 Ca 0.11 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 2agg n SER 178 Cb 0.60 -0.68 0.37 0.00 -0.26 0.00 0.00 64.21 64.24 2agg n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2agg n ASN 179 N -1.92 5.18 -4.16 4.04 3.02 -1.26 -4.92 115.26 115.24 2agg n ASN 179 Ca 0.00 -2.79 -0.15 0.00 -0.03 0.00 0.00 54.58 51.62 2agg n ASN 179 Cb 0.07 -0.63 -0.11 0.00 -0.61 0.00 0.00 39.78 38.50 2agg n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2agg s MET 180 N -2.48 0.81 0.09 3.52 -1.94 -0.89 -0.96 119.30 117.46 2agg s MET 180 Ca 0.52 -1.09 -0.04 0.00 -1.71 0.00 0.00 55.69 53.36 2agg s MET 180 Cb 0.38 -0.54 -0.03 0.00 2.01 0.00 0.00 34.83 36.65 2agg s MET 180 CO 0.18 0.09 0.08 -0.59 -0.01 0.00 0.00 175.02 174.77 2agg s PHE 181 N -2.19 0.48 -0.02 -0.03 -0.12 -0.33 -4.78 117.98 110.98 2agg s PHE 181 Ca 0.03 -0.94 -0.02 0.00 -0.05 0.00 0.00 56.93 55.95 2agg s PHE 181 Cb -0.04 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.02 2agg s PHE 181 CO 0.00 -0.49 0.13 0.00 -0.05 0.00 0.00 175.22 174.81 2agg s ALA 183 N -1.23 -0.28 0.00 0.00 0.00 -0.64 -0.82 121.76 118.78 2agg s ALA 183 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2agg s ALA 183 Cb -0.12 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2agg s ALA 183 CO 0.15 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2agg n GLY 184 N 0.99 0.10 2.82 0.00 0.00 -0.13 -2.57 105.19 106.39 2agg n GLY 184 Ca -0.20 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 2agg n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2agg s TYR 184 N -0.74 -0.10 -0.53 1.61 1.51 -1.26 -4.35 117.35 113.48 2agg s TYR 184 Ca 0.00 0.45 0.25 0.00 -1.01 0.00 0.00 57.07 56.77 2agg s TYR 184 Cb 0.00 -0.26 0.68 0.00 -0.11 0.00 0.00 41.96 42.27 2agg s TYR 184 CO 0.00 -0.21 1.72 -0.07 -1.11 0.00 0.00 175.55 175.88 2agg h LEU 185 N 7.99 0.00 0.00 -1.29 3.38 -1.94 -3.20 115.31 120.24 2agg h LEU 185 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2agg h LEU 185 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2agg h LEU 185 CO 0.25 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.94 2agg n GLU 186 N -2.65 0.20 0.00 1.13 0.00 -1.26 -0.14 120.64 117.91 2agg n GLU 186 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2agg n GLU 186 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.38 2agg n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2agg n GLY 187 N 1.30 -0.33 0.00 -1.84 0.00 -1.21 -4.66 105.19 98.46 2agg n GLY 187 Ca 0.10 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2agg n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2agg n GLY 188 N -0.06 1.21 2.66 -0.02 0.00 -0.22 -4.97 105.19 103.79 2agg n GLY 188 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2agg n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2agg s LYS 188 N -0.93 0.05 0.02 1.61 1.02 -1.26 -3.43 119.74 116.82 2agg s LYS 188 Ca 0.00 0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.88 2agg s LYS 188 Cb 0.00 -1.04 0.10 0.00 -0.52 0.00 0.00 37.83 36.36 2agg s LYS 188 CO 0.00 -0.45 1.06 0.34 -0.92 0.00 0.00 175.35 175.38 2agg s ASP 189 N 2.13 -0.19 0.73 2.83 3.68 -0.49 -4.29 116.67 121.07 2agg s ASP 189 Ca 0.04 -0.17 -0.11 0.00 2.13 0.00 0.00 52.55 54.43 2agg s ASP 189 Cb -0.14 0.33 0.03 0.00 -1.45 0.00 0.00 42.92 41.69 2agg s ASP 189 CO -0.05 -0.58 1.09 -0.94 0.13 0.00 0.00 175.17 174.82 2agg s SER 190 N -2.71 5.21 0.28 -0.34 1.04 -1.26 -0.51 113.70 115.42 2agg s SER 190 Ca 0.10 1.27 -0.03 0.00 0.48 0.00 0.00 55.95 57.77 2agg s SER 190 Cb 0.00 -2.08 0.01 0.00 0.10 0.00 0.00 66.02 64.05 2agg s SER 190 CO -0.03 -1.51 0.42 0.00 0.98 0.00 0.00 173.24 173.10 2agg n GLN 192 N -0.45 2.13 0.00 0.00 3.00 -1.26 -0.92 117.38 119.88 2agg n GLN 192 Ca -0.00 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 2agg n GLN 192 Cb 0.47 -2.38 0.00 0.00 0.00 0.00 0.00 30.24 28.32 2agg n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2agg n GLY 193 N 1.50 2.06 0.05 1.08 0.00 -1.26 -0.31 105.19 108.30 2agg n GLY 193 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2agg n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2agg n ASP 194 N 0.00 0.66 -4.63 1.61 10.43 -0.09 -3.77 116.55 120.75 2agg n ASP 194 Ca 0.00 -0.01 -0.45 0.00 2.57 0.00 0.00 54.79 56.91 2agg n ASP 194 Cb 0.00 0.41 -0.02 0.00 1.84 0.00 0.00 41.12 43.36 2agg n ASP 194 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 2agg n SER 195 N -2.06 1.97 0.00 -2.24 2.88 -1.26 -1.50 113.62 111.41 2agg n SER 195 Ca 0.03 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2agg n SER 195 Cb 0.44 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 2agg n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2agg n GLY 196 N 1.36 2.76 3.95 0.46 0.00 -0.25 -0.44 105.19 113.02 2agg n GLY 196 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 2agg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2agg s GLY 197 N -2.09 1.78 0.29 -0.02 0.00 -0.56 -3.30 107.32 103.42 2agg s GLY 197 Ca 0.00 -1.34 -0.17 0.00 0.00 0.00 0.00 44.72 43.20 2agg s GLY 197 CO 0.00 -0.61 0.75 2.56 0.00 0.00 0.00 173.10 175.80 2agg s PRO 198 N -5.74 4.13 -0.27 2.90 0.04 -1.26 -1.10 135.00 133.70 2agg s PRO 198 Ca 0.73 0.79 0.03 0.00 0.04 0.00 0.00 61.00 62.59 2agg s PRO 198 Cb -0.04 -2.60 0.07 0.00 0.04 0.00 0.00 34.50 31.96 2agg s PRO 198 CO 0.51 0.24 -0.08 0.08 0.04 0.00 0.00 177.00 177.80 2agg s VAL 199 N -1.80 2.09 -0.11 -0.36 1.01 -0.41 -3.36 120.40 117.45 2agg s VAL 199 Ca 0.50 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.79 2agg s VAL 199 Cb -0.13 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2agg s VAL 199 CO 0.19 -0.14 -0.13 -0.69 0.00 0.00 0.00 175.10 174.34 2agg s VAL 200 N 1.11 3.12 -0.06 2.92 1.01 -0.49 -1.30 120.40 126.71 2agg s VAL 200 Ca -0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2agg s VAL 200 Cb -0.20 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.92 2agg s VAL 200 CO -0.06 0.54 -0.00 0.00 0.00 0.00 0.00 175.10 175.58 2agg n SER 202 N 4.88 -2.26 -0.09 0.00 3.41 -1.26 -1.53 113.62 116.77 2agg n SER 202 Ca -0.12 -0.98 -0.01 0.00 -0.26 0.00 0.00 58.87 57.50 2agg n SER 202 Cb 0.50 -3.01 -0.01 0.00 -0.26 0.00 0.00 64.21 61.43 2agg n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2agg n GLY 203 N -1.68 0.48 3.32 5.00 0.00 -1.26 -5.02 105.19 106.03 2agg n GLY 203 Ca -0.09 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2agg n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2agg s LYS 204 N -0.95 1.72 -0.80 1.61 -0.14 -0.58 -4.05 119.74 116.54 2agg s LYS 204 Ca 0.00 -1.06 -0.26 0.00 -1.36 0.00 0.00 55.97 53.29 2agg s LYS 204 Cb 0.00 -1.86 0.04 0.00 -1.68 0.00 0.00 37.83 34.32 2agg s LYS 204 CO 0.00 0.48 1.31 -1.17 -0.76 0.00 0.00 175.35 175.21 2agg s LEU 209 N -1.18 3.26 0.00 3.17 2.96 -0.28 -0.81 118.68 125.80 2agg s LEU 209 Ca 0.11 -0.68 0.20 0.00 -0.22 0.00 0.00 54.13 53.54 2agg s LEU 209 Cb -0.10 -2.56 -0.20 0.00 0.50 0.00 0.00 46.19 43.83 2agg s LEU 209 CO 0.02 -1.76 0.60 0.00 -1.32 0.00 0.00 176.35 173.88 2agg n GLN 210 N 9.24 0.64 -4.08 1.98 1.13 -0.42 -4.19 117.38 121.69 2agg n GLN 210 Ca 0.09 0.02 -0.07 0.00 -1.94 0.00 0.00 57.00 55.10 2agg n GLN 210 Cb 0.49 -1.66 -0.10 0.00 0.11 0.00 0.00 30.24 29.09 2agg n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2agg s GLY 211 N -4.76 0.50 -0.08 1.08 0.00 -0.82 -1.42 107.32 101.82 2agg s GLY 211 Ca -0.06 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.50 2agg s GLY 211 CO 0.85 -1.30 -0.21 -0.42 0.00 0.00 0.00 173.10 172.02 2agg s ILE 212 N -3.93 1.81 -0.06 0.90 1.01 -1.00 -1.29 121.20 118.64 2agg s ILE 212 Ca 0.09 -0.88 -0.34 0.00 0.00 0.00 0.00 60.65 59.51 2agg s ILE 212 Cb 0.08 -1.57 -0.12 0.00 0.01 0.00 0.00 42.46 40.86 2agg s ILE 212 CO -0.09 0.51 1.84 0.52 0.00 0.00 0.00 174.94 177.72 2agg n VAL 213 N 3.49 0.51 0.01 2.92 0.31 -0.25 -1.28 118.33 124.04 2agg n VAL 213 Ca -0.20 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2agg n VAL 213 Cb 0.53 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 2agg n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2agg n SER 214 N 6.23 0.14 -3.38 4.52 2.88 -1.00 -1.09 113.62 121.93 2agg n SER 214 Ca 0.22 0.03 -0.08 0.00 -1.33 0.00 0.00 58.87 57.71 2agg n SER 214 Cb 0.29 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2agg n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2agg s TRP 215 N -1.15 -0.03 -0.07 0.66 1.48 -0.80 -4.93 118.94 114.10 2agg s TRP 215 Ca 0.00 -0.54 -0.31 0.00 -1.06 0.00 0.00 56.10 54.19 2agg s TRP 215 Cb 0.00 0.78 0.11 0.00 -1.16 0.00 0.00 33.47 33.20 2agg s TRP 215 CO 0.00 -1.39 1.36 0.20 -4.06 0.00 0.00 176.95 173.06 2agg s GLY 216 N -3.00 -0.29 -0.59 3.67 0.00 -1.26 -0.64 107.32 105.20 2agg s GLY 216 Ca 0.13 0.40 -0.21 0.00 0.00 0.00 0.00 44.72 45.05 2agg s GLY 216 CO 0.09 4.18 0.80 -0.45 0.00 0.00 0.00 173.10 177.72 2agg s SER 217 N -3.58 6.21 1.00 1.64 0.15 -1.26 -4.89 113.70 112.97 2agg s SER 217 Ca 0.25 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.87 2agg s SER 217 Cb 0.02 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2agg s SER 217 CO -0.04 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 173.84 2agg n GLY 219 N 5.25 0.98 2.85 9.45 0.00 -1.26 -4.66 105.19 117.80 2agg n GLY 219 Ca -0.06 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 2agg n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2agg n ALA 221 N 3.60 -0.44 -2.11 0.00 0.00 -1.26 -4.59 120.51 115.71 2agg n ALA 221 Ca -0.20 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 2agg n ALA 221 Cb 0.55 -1.99 -0.06 0.00 0.00 0.00 0.00 19.45 17.94 2agg n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2agg s GLN 221 N -4.35 4.19 0.21 0.00 -1.52 -1.26 -1.06 119.66 115.88 2agg s GLN 221 Ca 0.00 0.82 -0.32 0.00 -1.95 0.00 0.00 55.36 53.91 2agg s GLN 221 Cb 0.00 -2.76 -0.14 0.00 -0.22 0.00 0.00 33.01 29.88 2agg s GLN 221 CO 0.00 0.33 1.31 1.17 -0.25 0.00 0.00 175.29 177.85 2agg n LYS 222 N 0.44 1.67 -0.99 2.91 3.00 -1.26 -2.41 118.16 121.53 2agg n LYS 222 Ca -0.01 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 2agg n LYS 222 Cb 0.52 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 33.36 2agg n LYS 222 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2agg n ASN 223 N 2.11 -4.20 -3.54 3.14 5.03 0.80 -4.91 115.26 113.67 2agg n ASN 223 Ca 0.13 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.30 2agg n ASN 223 Cb 0.29 -1.88 -0.11 0.00 -1.02 0.00 0.00 39.78 37.06 2agg n ASN 223 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2agg s LYS 224 N -0.92 1.28 0.90 3.52 1.02 -1.01 -4.75 119.74 119.78 2agg s LYS 224 Ca 0.00 -2.33 -0.12 0.00 0.02 0.00 0.00 55.97 53.54 2agg s LYS 224 Cb 0.00 -1.96 0.13 0.00 -0.52 0.00 0.00 37.83 35.48 2agg s LYS 224 CO 0.00 -1.33 1.14 -1.25 -0.92 0.00 0.00 175.35 172.99 2agg s PRO 225 N -0.19 1.24 0.57 -1.68 0.04 -1.26 -4.33 135.00 129.38 2agg s PRO 225 Ca 0.29 0.30 -0.18 0.00 0.04 0.00 0.00 61.00 61.44 2agg s PRO 225 Cb -0.03 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2agg s PRO 225 CO -0.16 -2.13 1.12 0.20 0.04 0.00 0.00 177.00 176.07 2agg s GLY 226 N -4.05 2.50 -0.05 0.56 0.00 -1.06 -4.62 107.32 100.59 2agg s GLY 226 Ca 0.63 0.73 0.04 0.00 0.00 0.00 0.00 44.72 46.13 2agg s GLY 226 CO 0.53 1.08 -0.18 0.14 0.00 0.00 0.00 173.10 174.68 2agg s VAL 227 N -1.94 2.75 0.01 1.40 1.01 0.19 -1.63 120.40 122.19 2agg s VAL 227 Ca 0.71 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2agg s VAL 227 Cb -0.22 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2agg s VAL 227 CO 0.30 0.58 -0.09 -0.31 0.00 0.00 0.00 175.10 175.59 2agg s TYR 228 N -0.56 0.78 0.19 5.22 2.02 0.46 -1.90 117.35 123.57 2agg s TYR 228 Ca 0.08 -0.21 -0.30 0.00 -0.37 0.00 0.00 57.07 56.26 2agg s TYR 228 Cb -0.11 -0.49 -0.09 0.00 -0.40 0.00 0.00 41.96 40.87 2agg s TYR 228 CO 0.01 -0.01 1.40 0.99 -1.57 0.00 0.00 175.55 176.36 2agg s THR 229 N -0.42 2.99 -0.96 -0.71 2.01 -0.40 -1.19 115.64 116.96 2agg s THR 229 Ca 0.01 0.78 -0.21 0.00 0.31 0.00 0.00 61.69 62.59 2agg s THR 229 Cb -0.05 -3.50 0.10 0.00 0.01 0.00 0.00 72.50 69.06 2agg s THR 229 CO -0.00 0.10 1.25 -0.75 -0.69 0.00 0.00 174.62 174.53 2agg s LYS 230 N 0.19 3.58 0.42 4.92 2.20 -0.13 -2.37 119.74 128.54 2agg s LYS 230 Ca 0.61 -1.47 0.09 0.00 -0.36 0.00 0.00 55.97 54.83 2agg s LYS 230 Cb -0.39 -5.07 0.92 0.00 -1.51 0.00 0.00 37.83 31.78 2agg s LYS 230 CO 0.37 -1.95 2.05 0.28 -0.36 0.00 0.00 175.35 175.74 2agg h VAL 231 N 6.22 1.06 -0.10 4.02 2.07 -1.52 -2.33 116.25 125.66 2agg h VAL 231 Ca 0.16 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2agg h VAL 231 Cb 1.02 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2agg h VAL 231 CO 1.24 0.09 0.14 0.00 0.02 0.00 0.00 177.57 179.06 2agg n ASN 233 N -3.68 0.65 -0.42 0.00 4.13 -0.88 -3.71 115.26 111.36 2agg n ASN 233 Ca -0.00 0.62 0.04 0.00 1.68 0.00 0.00 54.58 56.91 2agg n ASN 233 Cb 0.24 -0.77 0.09 0.00 -1.54 0.00 0.00 39.78 37.80 2agg n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2agg n TYR 234 N -2.17 0.25 -0.15 3.10 4.01 0.14 -4.74 117.16 117.59 2agg n TYR 234 Ca 0.04 -0.37 -0.08 0.00 -0.16 0.00 0.00 57.90 57.33 2agg n TYR 234 Cb 0.30 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.32 2agg n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2agg h VAL 235 N 1.46 1.13 -0.50 -0.72 2.07 -1.62 0.93 116.25 119.00 2agg h VAL 235 Ca 0.00 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 2agg h VAL 235 Cb 0.58 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2agg h VAL 235 CO 0.00 0.13 0.04 0.77 0.02 0.00 0.00 177.57 178.53 2agg h SER 236 N 0.62 0.78 -0.59 0.57 4.64 -1.88 -1.28 113.55 116.41 2agg h SER 236 Ca 0.17 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2agg h SER 236 Cb -0.03 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 2agg h SER 236 CO -0.03 0.82 0.08 -0.25 -0.87 0.00 0.00 176.83 176.58 2agg h TRP 237 N 0.77 1.05 -0.23 4.77 7.01 -1.74 -0.98 115.95 126.59 2agg h TRP 237 Ca 0.16 -0.15 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 2agg h TRP 237 Cb 0.41 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 2agg h TRP 237 CO 0.02 0.91 0.04 0.82 -2.79 0.00 0.00 178.44 177.44 2agg h ILE 238 N 0.88 1.23 -0.58 2.65 2.04 -0.62 -0.65 117.51 122.47 2agg h ILE 238 Ca 0.18 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2agg h ILE 238 Cb 0.44 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2agg h ILE 238 CO 0.01 0.24 0.38 0.11 0.00 0.00 0.00 178.15 178.89 2agg h LYS 239 N 0.19 0.77 -0.53 2.37 1.57 -0.98 -0.77 116.57 119.18 2agg h LYS 239 Ca 0.07 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 2agg h LYS 239 Cb 0.32 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2agg h LYS 239 CO 0.00 0.51 -0.13 1.96 -0.57 0.00 0.00 179.45 181.23 2agg h GLN 240 N 0.78 1.02 -0.37 3.15 4.20 -1.09 -1.57 115.11 121.23 2agg h GLN 240 Ca 0.21 -0.39 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 2agg h GLN 240 Cb -0.08 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2agg h GLN 240 CO -0.04 1.07 -0.18 1.15 -0.67 0.00 0.00 178.83 180.16 2agg h THR 241 N 0.90 1.28 -0.71 -0.54 2.02 -0.85 -1.88 112.91 113.15 2agg h THR 241 Ca 0.14 -1.30 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 2agg h THR 241 Cb 0.70 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 2agg h THR 241 CO 0.05 0.43 0.30 0.40 0.37 0.00 0.00 175.52 177.07 2agg h ILE 242 N 0.58 1.24 0.00 3.11 2.04 -1.09 -2.80 117.51 120.60 2agg h ILE 242 Ca 0.08 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 2agg h ILE 242 Cb 0.72 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2agg h ILE 242 CO 0.05 0.30 -0.26 0.00 0.00 0.00 0.00 178.15 178.25 2agg h ALA 243 N 1.14 1.43 -0.02 1.87 0.00 -0.99 -2.66 119.26 120.04 2agg h ALA 243 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2agg h ALA 243 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2agg h ALA 243 CO -0.02 0.32 -0.08 0.43 0.00 0.00 0.00 179.25 179.90 2agg n SER 244 N -4.02 1.71 0.00 0.00 7.64 -0.73 -5.09 113.62 113.12 2agg n SER 244 Ca -0.02 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2agg n SER 244 Cb 0.33 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2agg n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62