#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fni s VAL 17 N 0.00 5.25 -0.02 1.39 1.01 0.17 -4.17 120.40 124.03 1fni s VAL 17 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1fni s VAL 17 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1fni s VAL 17 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1fni n GLY 18 N 3.33 0.38 0.00 4.51 0.00 -1.25 -2.13 105.19 110.04 1fni n GLY 18 Ca -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1fni n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fni n GLY 19 N -2.24 2.32 3.07 -0.02 0.00 -1.26 -4.87 105.19 102.19 1fni n GLY 19 Ca -0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 1fni n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fni s TYR 20 N 2.05 0.51 -0.10 1.61 1.13 -0.57 -4.95 117.35 117.04 1fni s TYR 20 Ca 0.00 -0.89 -0.29 0.00 -1.41 0.00 0.00 57.07 54.47 1fni s TYR 20 Cb 0.00 -0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 40.46 1fni s TYR 20 CO 0.00 -0.29 1.46 0.99 -2.51 0.00 0.00 175.55 175.20 1fni s THR 21 N -3.17 3.91 0.62 -3.49 2.01 -1.26 -0.27 115.64 113.99 1fni s THR 21 Ca 0.01 1.11 -0.18 0.00 0.31 0.00 0.00 61.69 62.94 1fni s THR 21 Cb 0.02 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1fni s THR 21 CO -0.07 -0.09 1.02 0.00 -0.69 0.00 0.00 174.62 174.79 1fni s ALA 23 N -1.50 3.22 0.26 0.00 0.00 -1.26 -4.88 121.76 117.60 1fni s ALA 23 Ca 0.78 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 53.85 1fni s ALA 23 Cb -0.40 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.05 1fni s ALA 23 CO 0.45 -1.12 1.47 0.00 0.00 0.00 0.00 175.76 176.56 1fni s ALA 24 N -1.22 3.65 -1.89 0.00 0.00 -1.26 -2.09 121.76 118.95 1fni s ALA 24 Ca 0.61 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1fni s ALA 24 Cb -0.42 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1fni s ALA 24 CO 0.54 -0.79 0.00 0.09 0.00 0.00 0.00 175.76 175.60 1fni n ASN 25 N 2.31 -5.27 -0.06 0.00 3.02 -1.26 -4.87 115.26 109.13 1fni n ASN 25 Ca 0.07 0.36 0.13 0.00 -0.03 0.00 0.00 54.58 55.11 1fni n ASN 25 Cb 0.40 -4.39 0.45 0.00 -0.61 0.00 0.00 39.78 35.63 1fni n ASN 25 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1fni n SER 26 N -1.11 0.45 -3.55 6.41 3.41 -0.89 -4.22 113.62 114.12 1fni n SER 26 Ca -0.19 -0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 57.89 1fni n SER 26 Cb 0.62 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 1fni n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1fni n ILE 27 N -1.24 1.22 0.76 -1.33 2.08 -1.26 -4.97 119.36 114.61 1fni n ILE 27 Ca 0.09 -4.70 0.13 0.00 0.56 0.00 0.00 62.75 58.84 1fni n ILE 27 Cb 0.32 -2.05 0.49 0.00 -0.75 0.00 0.00 39.64 37.65 1fni n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1fni n PRO 28 N 1.57 0.13 0.00 0.38 -0.04 -1.26 -2.21 135.00 133.57 1fni n PRO 28 Ca 0.25 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1fni n PRO 28 Cb 0.42 -1.66 0.33 0.00 -0.04 0.00 0.00 33.50 32.54 1fni n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1fni n TYR 29 N -1.90 0.00 -2.26 0.54 0.18 -1.19 -1.81 117.16 110.73 1fni n TYR 29 Ca 0.06 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.42 1fni n TYR 29 Cb 0.36 -0.28 -0.03 0.00 -0.38 0.00 0.00 39.34 39.01 1fni n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1fni s GLN 30 N -2.95 4.38 0.26 -3.48 2.00 -0.94 -1.07 119.66 117.86 1fni s GLN 30 Ca 0.13 1.99 0.11 0.00 -2.00 0.00 0.00 55.36 55.59 1fni s GLN 30 Cb 0.18 -3.25 -0.05 0.00 0.80 0.00 0.00 33.01 30.69 1fni s GLN 30 CO 0.65 -0.31 -0.19 0.14 -0.50 0.00 0.00 175.29 175.08 1fni s VAL 31 N 0.66 2.32 -0.14 1.34 -7.23 -0.69 -4.44 120.40 112.22 1fni s VAL 31 Ca 0.60 -2.33 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1fni s VAL 31 Cb -0.35 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1fni s VAL 31 CO 0.33 -0.41 -0.05 -0.55 -0.31 0.00 0.00 175.10 174.11 1fni s SER 32 N -3.39 4.69 -0.08 4.85 0.15 -0.78 -2.67 113.70 116.47 1fni s SER 32 Ca 0.28 -0.13 -0.16 0.00 0.70 0.00 0.00 55.95 56.63 1fni s SER 32 Cb -0.04 -1.68 -0.05 0.00 -1.71 0.00 0.00 66.02 62.54 1fni s SER 32 CO 0.13 0.20 0.42 -0.76 1.20 0.00 0.00 173.24 174.42 1fni s LEU 33 N 0.18 4.35 -0.08 3.45 1.43 0.31 -1.24 118.68 127.07 1fni s LEU 33 Ca -0.03 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1fni s LEU 33 Cb -0.14 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.51 1fni s LEU 33 CO 0.03 0.14 -0.09 0.21 0.23 0.00 0.00 176.35 176.87 1fni s ASN 34 N -0.06 1.76 -0.49 2.29 3.84 -0.07 -1.48 114.94 120.73 1fni s ASN 34 Ca 0.23 -0.27 0.08 0.00 0.21 0.00 0.00 52.86 53.11 1fni s ASN 34 Cb -0.15 -0.76 0.33 0.00 -0.55 0.00 0.00 41.25 40.11 1fni s ASN 34 CO 0.10 -0.03 0.81 -1.54 -2.79 0.00 0.00 177.10 173.65 1fni n SER 37 N 4.23 2.72 0.00 -4.21 3.41 -1.26 -1.30 113.62 117.21 1fni n SER 37 Ca -0.20 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.08 1fni n SER 37 Cb 0.51 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1fni n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fni n GLY 38 N 0.19 3.19 3.12 5.00 0.00 -1.26 -5.01 105.19 110.42 1fni n GLY 38 Ca 0.28 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1fni n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fni s SER 39 N 0.00 0.25 0.18 1.61 0.01 -1.26 -5.13 113.70 109.35 1fni s SER 39 Ca 0.00 -0.67 -0.33 0.00 1.31 0.00 0.00 55.95 56.26 1fni s SER 39 Cb 0.00 0.24 -0.15 0.00 0.21 0.00 0.00 66.02 66.32 1fni s SER 39 CO 0.00 -0.56 1.34 1.57 0.41 0.00 0.00 173.24 176.00 1fni n HIS 40 N 0.50 1.78 0.00 2.43 -0.00 -1.26 -4.31 115.22 114.36 1fni n HIS 40 Ca -0.17 0.52 0.00 0.00 0.46 0.00 0.00 57.72 58.53 1fni n HIS 40 Cb 0.60 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 28.07 1fni n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1fni n PHE 41 N 2.13 0.00 -3.58 1.57 -1.74 -0.55 -4.93 117.46 110.37 1fni n PHE 41 Ca 0.15 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.93 1fni n PHE 41 Cb 0.27 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.24 1fni n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fni n GLY 43 N -0.35 2.05 3.64 0.00 0.00 0.70 -0.53 105.19 110.71 1fni n GLY 43 Ca -0.14 -2.14 -0.00 0.00 0.00 0.00 0.00 46.02 43.73 1fni n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fni s GLY 44 N -2.21 -0.37 -0.03 -0.02 0.00 -1.09 -3.81 107.32 99.80 1fni s GLY 44 Ca 0.06 0.68 0.05 0.00 0.00 0.00 0.00 44.72 45.51 1fni s GLY 44 CO 0.04 0.15 -0.16 -0.56 0.00 0.00 0.00 173.10 172.56 1fni s SER 45 N -2.88 1.96 -0.17 1.64 0.01 0.17 -1.71 113.70 112.73 1fni s SER 45 Ca 0.13 -0.31 -0.25 0.00 1.31 0.00 0.00 55.95 56.83 1fni s SER 45 Cb 0.03 -0.38 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 1fni s SER 45 CO -0.03 0.17 0.84 -0.22 0.41 0.00 0.00 173.24 174.41 1fni s LEU 46 N -0.17 4.18 -0.00 2.44 2.96 -0.23 -0.21 118.68 127.64 1fni s LEU 46 Ca 0.02 1.19 0.02 0.00 -0.22 0.00 0.00 54.13 55.13 1fni s LEU 46 Cb -0.09 -3.24 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 1fni s LEU 46 CO 0.01 -0.40 0.05 2.30 -1.32 0.00 0.00 176.35 176.99 1fni n ILE 47 N 4.71 0.00 -3.61 6.68 -5.35 -0.84 -1.27 119.36 119.69 1fni n ILE 47 Ca 0.04 -0.15 -0.05 0.00 -0.27 0.00 0.00 62.75 62.32 1fni n ILE 47 Cb 0.49 0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 38.99 1fni n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1fni n ASN 48 N -1.43 -0.56 -0.30 7.28 0.23 -1.17 -4.68 115.26 114.62 1fni n ASN 48 Ca -0.00 -1.63 0.17 0.00 -0.53 0.00 0.00 54.58 52.59 1fni n ASN 48 Cb 0.04 1.01 0.44 0.00 -2.08 0.00 0.00 39.78 39.19 1fni n ASN 48 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1fni h SER 49 N 0.69 0.56 -0.01 0.53 0.02 -1.96 -2.85 113.55 110.54 1fni h SER 49 Ca -0.10 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1fni h SER 49 Cb 0.42 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1fni h SER 49 CO 0.13 0.20 -0.21 0.00 -1.14 0.00 0.00 176.83 175.81 1fni n GLN 50 N -4.62 1.58 -4.09 3.45 6.02 -1.26 -0.44 117.38 118.01 1fni n GLN 50 Ca 0.22 -0.95 -0.17 0.00 -0.01 0.00 0.00 57.00 56.08 1fni n GLN 50 Cb 0.68 -1.24 -0.15 0.00 1.02 0.00 0.00 30.24 30.54 1fni n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1fni s TRP 51 N -1.61 0.50 -0.01 1.08 0.52 -1.08 -1.26 118.94 117.08 1fni s TRP 51 Ca 0.14 -0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.21 1fni s TRP 51 Cb 0.12 -0.43 -0.03 0.00 -1.15 0.00 0.00 33.47 31.98 1fni s TRP 51 CO 0.31 -0.10 -0.15 0.08 0.02 0.00 0.00 176.95 177.11 1fni s VAL 52 N 0.51 2.98 0.00 4.03 1.01 -0.17 -1.99 120.40 126.77 1fni s VAL 52 Ca -0.06 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1fni s VAL 52 Cb -0.09 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1fni s VAL 52 CO -0.00 0.49 -0.03 0.54 0.00 0.00 0.00 175.10 176.10 1fni s VAL 53 N -0.81 3.94 0.00 2.92 0.11 0.70 -0.91 120.40 126.35 1fni s VAL 53 Ca 0.13 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 1fni s VAL 53 Cb -0.11 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 1fni s VAL 53 CO 0.03 0.37 0.00 -0.24 -3.33 0.00 0.00 175.10 171.93 1fni n SER 54 N 1.43 0.00 -4.84 3.54 2.88 -0.43 -0.65 113.62 115.55 1fni n SER 54 Ca -0.15 -0.94 -0.38 0.00 -1.33 0.00 0.00 58.87 56.07 1fni n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1fni n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fni s ALA 55 N -1.50 3.71 0.41 -1.46 0.00 -1.26 -1.49 121.76 120.17 1fni s ALA 55 Ca 0.00 -0.25 0.20 0.00 0.00 0.00 0.00 51.96 51.91 1fni s ALA 55 Cb 0.00 -2.36 1.16 0.00 0.00 0.00 0.00 23.12 21.92 1fni s ALA 55 CO 0.00 0.48 2.00 0.00 0.00 0.00 0.00 175.76 178.24 1fni h ALA 56 N 4.76 1.44 0.00 0.00 0.00 -1.70 -1.86 119.26 121.90 1fni h ALA 56 Ca -0.52 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1fni h ALA 56 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1fni h ALA 56 CO 0.61 0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.71 1fni n HIS 57 N -3.95 0.00 1.43 0.00 1.44 -1.26 -1.84 115.22 111.04 1fni n HIS 57 Ca -0.02 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.83 1fni n HIS 57 Cb 0.27 -0.29 0.50 0.00 0.12 0.00 0.00 29.99 30.59 1fni n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fni n TYR 59 N -0.18 1.55 -3.94 0.00 9.36 -0.76 -5.01 117.16 118.17 1fni n TYR 59 Ca 0.17 0.60 -0.09 0.00 3.32 0.00 0.00 57.90 61.91 1fni n TYR 59 Cb 0.34 -2.34 -0.09 0.00 -0.63 0.00 0.00 39.34 36.63 1fni n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1fni s LYS 60 N -0.19 0.70 0.37 2.98 1.02 -1.26 -5.08 119.74 118.27 1fni s LYS 60 Ca 0.74 -0.95 0.20 0.00 0.02 0.00 0.00 55.97 55.98 1fni s LYS 60 Cb -0.82 0.27 0.26 0.00 -0.52 0.00 0.00 37.83 37.02 1fni s LYS 60 CO 0.50 -0.19 1.55 0.66 -0.92 0.00 0.00 175.35 176.95 1fni h SER 61 N 3.17 0.00 -3.53 2.83 4.64 -2.04 -3.43 113.55 115.19 1fni h SER 61 Ca -0.33 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.51 1fni h SER 61 Cb 1.18 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.94 1fni h SER 61 CO 0.57 0.24 -0.80 0.00 -0.87 0.00 0.00 176.83 175.97 1fni s ARG 62 N -3.12 1.33 -0.05 4.77 1.70 -1.26 -5.05 118.95 117.27 1fni s ARG 62 Ca 0.05 -0.32 -0.02 0.00 -0.47 0.00 0.00 55.73 54.97 1fni s ARG 62 Cb 0.06 -1.16 0.03 0.00 -0.57 0.00 0.00 34.95 33.32 1fni s ARG 62 CO 0.70 0.03 0.12 0.42 -1.08 0.00 0.00 175.30 175.48 1fni s ILE 63 N 0.60 -0.05 -0.19 4.99 1.01 -1.26 -4.80 121.20 121.50 1fni s ILE 63 Ca -0.11 0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 1fni s ILE 63 Cb -0.14 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.09 1fni s ILE 63 CO 0.02 0.07 0.22 -1.58 0.00 0.00 0.00 174.94 173.68 1fni s GLN 64 N 1.07 4.21 -0.17 2.79 0.74 -0.42 -1.35 119.66 126.53 1fni s GLN 64 Ca -0.08 -0.06 -0.18 0.00 0.05 0.00 0.00 55.36 55.09 1fni s GLN 64 Cb -0.11 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 1fni s GLN 64 CO -0.05 0.23 0.47 0.08 -0.55 0.00 0.00 175.29 175.47 1fni s VAL 65 N 0.54 5.16 -0.29 1.34 1.01 0.32 -0.89 120.40 127.59 1fni s VAL 65 Ca 0.12 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 1fni s VAL 65 Cb -0.12 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1fni s VAL 65 CO 0.02 0.25 0.01 -0.13 0.00 0.00 0.00 175.10 175.24 1fni s ARG 66 N 1.22 2.62 0.14 2.72 0.52 -0.37 -1.14 118.95 124.65 1fni s ARG 66 Ca 0.23 -1.14 0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1fni s ARG 66 Cb -0.15 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 1fni s ARG 66 CO 0.09 -0.56 0.28 -0.51 0.02 0.00 0.00 175.30 174.62 1fni s LEU 67 N 1.32 4.34 -0.30 2.53 1.43 -0.52 -1.87 118.68 125.62 1fni s LEU 67 Ca -0.03 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1fni s LEU 67 Cb -0.19 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1fni s LEU 67 CO -0.01 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1fni n GLY 69 N -0.45 0.60 3.81 -3.19 0.00 -1.26 -0.94 105.19 103.76 1fni n GLY 69 Ca -0.07 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1fni n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fni s GLU 70 N -1.59 4.25 0.19 1.61 0.41 -1.26 -4.25 118.70 118.06 1fni s GLU 70 Ca 0.00 1.16 0.00 0.00 -0.41 0.00 0.00 54.97 55.72 1fni s GLU 70 Cb 0.00 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 1fni s GLU 70 CO 0.00 -0.02 0.00 1.58 -0.49 0.00 0.00 175.26 176.33 1fni n HIS 71 N -0.52 -1.26 -3.24 1.61 -0.00 -1.26 -4.72 115.22 105.83 1fni n HIS 71 Ca 0.07 0.22 -0.43 0.00 -0.00 0.00 0.00 57.72 57.58 1fni n HIS 71 Cb 0.53 0.28 -0.08 0.00 -0.00 0.00 0.00 29.99 30.73 1fni n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1fni s ASN 72 N -5.53 6.24 0.00 0.26 3.84 -1.26 -2.22 114.94 116.28 1fni s ASN 72 Ca 0.00 -0.54 0.29 0.00 0.21 0.00 0.00 52.86 52.82 1fni s ASN 72 Cb 0.00 -2.26 1.28 0.00 -0.55 0.00 0.00 41.25 39.72 1fni s ASN 72 CO 0.00 -0.65 1.94 2.30 -2.79 0.00 0.00 177.10 177.91 1fni n ILE 73 N 5.58 0.00 1.17 -5.21 -5.35 -0.47 -3.10 119.36 111.98 1fni n ILE 73 Ca -0.05 -0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.55 1fni n ILE 73 Cb 0.48 -0.49 0.24 0.00 -1.74 0.00 0.00 39.64 38.12 1fni n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1fni n ASP 74 N -1.47 2.30 -3.95 7.28 8.00 -1.26 -4.93 116.55 122.51 1fni n ASP 74 Ca 0.08 -1.72 -0.19 0.00 0.71 0.00 0.00 54.79 53.67 1fni n ASP 74 Cb 0.32 0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.33 1fni n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1fni s VAL 75 N -2.08 0.61 -0.24 2.53 1.01 -1.18 -5.11 120.40 115.93 1fni s VAL 75 Ca 0.30 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1fni s VAL 75 Cb 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1fni s VAL 75 CO 0.35 0.21 1.14 -0.76 0.00 0.00 0.00 175.10 176.04 1fni s LEU 76 N 0.37 4.06 -0.10 3.92 1.43 -1.26 -4.80 118.68 122.29 1fni s LEU 76 Ca -0.05 1.37 0.18 0.00 -1.03 0.00 0.00 54.13 54.60 1fni s LEU 76 Cb -0.09 -3.54 -0.27 0.00 0.03 0.00 0.00 46.19 42.32 1fni s LEU 76 CO 0.00 -0.79 0.25 -0.62 0.23 0.00 0.00 176.35 175.42 1fni n GLU 77 N 6.63 0.81 0.00 1.70 1.02 -1.26 -5.02 120.64 124.52 1fni n GLU 77 Ca 0.13 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1fni n GLU 77 Cb 0.46 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1fni n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fni n GLY 78 N 1.63 1.40 0.59 0.62 0.00 -1.26 -4.95 105.19 103.21 1fni n GLY 78 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1fni n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fni n ASN 79 N 0.00 2.03 -4.83 1.61 4.13 -1.26 -5.02 115.26 111.93 1fni n ASN 79 Ca 0.00 -1.54 -0.33 0.00 1.68 0.00 0.00 54.58 54.39 1fni n ASN 79 Cb 0.00 0.18 -0.06 0.00 -1.54 0.00 0.00 39.78 38.36 1fni n ASN 79 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1fni s GLU 80 N -2.25 4.12 -0.12 3.52 8.01 -1.26 -4.58 118.70 126.14 1fni s GLU 80 Ca 0.26 0.98 0.02 0.00 0.01 0.00 0.00 54.97 56.24 1fni s GLU 80 Cb 0.19 -2.22 0.01 0.00 -4.31 0.00 0.00 34.13 27.81 1fni s GLU 80 CO 0.44 -0.05 -0.17 -0.65 0.01 0.00 0.00 175.26 174.84 1fni s GLN 81 N -3.35 2.46 -0.32 1.61 -0.21 -0.12 -4.99 119.66 114.75 1fni s GLN 81 Ca 0.60 -0.65 -0.06 0.00 0.02 0.00 0.00 55.36 55.27 1fni s GLN 81 Cb -0.09 -2.08 0.03 0.00 1.00 0.00 0.00 33.01 31.87 1fni s GLN 81 CO 0.18 -0.08 0.08 -0.06 -2.12 0.00 0.00 175.29 173.30 1fni s PHE 82 N 1.02 3.22 -0.06 0.91 0.08 -1.26 -1.43 117.98 120.45 1fni s PHE 82 Ca -0.05 -1.34 0.03 0.00 0.12 0.00 0.00 56.93 55.69 1fni s PHE 82 Cb -0.15 -2.25 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 1fni s PHE 82 CO -0.03 -0.69 -0.14 0.42 -0.10 0.00 0.00 175.22 174.67 1fni s ILE 83 N 1.41 1.25 0.48 0.64 1.01 -0.30 -4.99 121.20 120.71 1fni s ILE 83 Ca -0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 59.87 1fni s ILE 83 Cb -0.19 -1.11 -0.09 0.00 0.01 0.00 0.00 42.46 41.09 1fni s ILE 83 CO 0.02 0.37 1.01 0.20 0.00 0.00 0.00 174.94 176.54 1fni s ASN 84 N 0.38 6.50 0.29 3.58 0.02 -1.26 -0.52 114.94 123.92 1fni s ASN 84 Ca -0.10 1.82 -0.29 0.00 -1.02 0.00 0.00 52.86 53.27 1fni s ASN 84 Cb -0.14 -2.55 -0.09 0.00 0.02 0.00 0.00 41.25 38.49 1fni s ASN 84 CO 0.03 -0.67 1.10 0.00 0.02 0.00 0.00 177.10 177.58 1fni s ALA 85 N -2.12 3.38 -0.20 0.60 0.00 -0.45 -1.34 121.76 121.62 1fni s ALA 85 Ca 0.65 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.57 1fni s ALA 85 Cb -0.14 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 1fni s ALA 85 CO 0.20 -0.18 -0.09 0.00 0.00 0.00 0.00 175.76 175.69 1fni n ALA 86 N 1.06 1.54 -3.34 0.00 0.00 0.19 -4.74 120.51 115.21 1fni n ALA 86 Ca -0.01 -1.03 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 1fni n ALA 86 Cb 0.45 -0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.69 1fni n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fni s LYS 87 N -2.43 -0.01 -0.15 0.00 1.02 -1.12 -4.99 119.74 112.05 1fni s LYS 87 Ca -0.21 0.11 -0.00 0.00 0.02 0.00 0.00 55.97 55.89 1fni s LYS 87 Cb 0.07 -0.13 0.03 0.00 -0.52 0.00 0.00 37.83 37.28 1fni s LYS 87 CO 0.60 -0.09 -0.08 0.42 -0.92 0.00 0.00 175.35 175.27 1fni s ILE 88 N 0.57 1.27 -0.24 2.17 1.01 -1.26 -0.59 121.20 124.13 1fni s ILE 88 Ca -0.05 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1fni s ILE 88 Cb -0.07 -1.33 0.06 0.00 0.01 0.00 0.00 42.46 41.13 1fni s ILE 88 CO -0.02 0.26 -0.05 -0.63 0.00 0.00 0.00 174.94 174.50 1fni s ILE 89 N 1.58 1.56 0.34 2.92 1.01 -0.27 -5.00 121.20 123.35 1fni s ILE 89 Ca 0.02 -1.25 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 1fni s ILE 89 Cb -0.14 -1.83 -0.08 0.00 0.01 0.00 0.00 42.46 40.43 1fni s ILE 89 CO -0.09 -0.11 0.73 0.42 0.00 0.00 0.00 174.94 175.89 1fni s THR 90 N 1.38 4.75 0.27 2.92 -4.23 -1.26 -0.79 115.64 118.67 1fni s THR 90 Ca -0.06 0.75 -0.31 0.00 -1.18 0.00 0.00 61.69 60.90 1fni s THR 90 Cb -0.19 -3.66 -0.12 0.00 1.34 0.00 0.00 72.50 69.87 1fni s THR 90 CO -0.06 -0.31 1.58 1.57 -0.54 0.00 0.00 174.62 176.86 1fni n HIS 91 N -0.72 2.71 0.28 3.99 -0.00 -0.70 -4.87 115.22 115.92 1fni n HIS 91 Ca 0.03 0.26 0.15 0.00 0.46 0.00 0.00 57.72 58.61 1fni n HIS 91 Cb 0.53 -2.58 0.84 0.00 -0.12 0.00 0.00 29.99 28.66 1fni n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1fni h PRO 92 N 4.99 0.00 -0.45 1.57 0.13 -1.93 -1.94 132.00 134.37 1fni h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1fni h PRO 92 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1fni h PRO 92 CO 0.81 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.74 1fni n ASN 93 N -3.56 4.57 -4.63 1.44 5.03 -1.26 -5.00 115.26 111.84 1fni n ASN 93 Ca -0.02 -2.77 -0.45 0.00 0.87 0.00 0.00 54.58 52.20 1fni n ASN 93 Cb 0.18 -0.57 -0.03 0.00 -1.02 0.00 0.00 39.78 38.35 1fni n ASN 93 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1fni n PHE 94 N 0.30 1.74 -4.16 3.10 7.35 -0.73 -4.69 117.46 120.37 1fni n PHE 94 Ca 0.23 0.58 -0.32 0.00 -0.76 0.00 0.00 57.45 57.18 1fni n PHE 94 Cb 0.94 -2.36 -0.16 0.00 0.35 0.00 0.00 39.48 38.25 1fni n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1fni s ASN 95 N -0.05 2.94 0.45 -2.13 3.84 -0.71 -5.01 114.94 114.26 1fni s ASN 95 Ca 0.66 -0.58 0.25 0.00 0.21 0.00 0.00 52.86 53.40 1fni s ASN 95 Cb -0.71 -1.35 0.77 0.00 -0.55 0.00 0.00 41.25 39.41 1fni s ASN 95 CO 0.54 -0.01 1.76 1.23 -2.79 0.00 0.00 177.10 177.83 1fni h GLY 96 N 7.89 0.00 0.03 1.21 0.00 -1.93 0.11 103.07 110.37 1fni h GLY 96 Ca -0.41 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1fni h GLY 96 CO 0.59 0.00 -0.00 -0.57 0.00 0.00 0.00 176.54 176.55 1fni h ASN 97 N 0.00 -0.00 0.41 0.19 -1.24 -1.98 -3.38 115.58 109.58 1fni h ASN 97 Ca -0.00 -0.84 0.00 0.00 0.71 0.00 0.00 56.30 56.17 1fni h ASN 97 Cb 0.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1fni h ASN 97 CO 0.02 0.90 -0.95 0.35 -1.29 0.00 0.00 177.43 176.46 1fni n THR 98 N -4.65 0.14 -1.16 -3.57 -2.24 -1.21 -4.95 114.28 96.64 1fni n THR 98 Ca -0.09 -0.19 -0.05 0.00 -2.27 0.00 0.00 64.05 61.45 1fni n THR 98 Cb 0.40 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 1fni n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1fni n LEU 99 N -1.87 -0.02 -4.76 3.22 4.32 0.36 -4.99 117.00 113.25 1fni n LEU 99 Ca 0.03 0.13 -0.39 0.00 -0.02 0.00 0.00 56.01 55.75 1fni n LEU 99 Cb 0.42 -1.85 0.02 0.00 -1.62 0.00 0.00 43.42 40.39 1fni n LEU 99 CO 0.40 -0.65 1.04 -0.62 -1.22 0.00 0.00 177.39 176.34 1fni s ASP 100 N -2.35 5.82 -1.22 -1.43 2.15 -1.24 -3.08 116.67 115.32 1fni s ASP 100 Ca 0.00 2.86 -0.05 0.00 0.43 0.00 0.00 52.55 55.78 1fni s ASP 100 Cb 0.00 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1fni s ASP 100 CO 0.00 -1.21 1.05 0.59 -0.17 0.00 0.00 175.17 175.43 1fni n ASN 101 N -0.31 -4.68 -4.53 -0.34 4.13 -1.26 -1.74 115.26 106.53 1fni n ASN 101 Ca 0.06 -0.53 -0.43 0.00 1.68 0.00 0.00 54.58 55.36 1fni n ASN 101 Cb 0.43 -4.77 -0.01 0.00 -1.54 0.00 0.00 39.78 33.88 1fni n ASN 101 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1fni s ASP 102 N -3.64 6.82 -0.13 6.41 2.15 -1.18 -4.31 116.67 122.79 1fni s ASP 102 Ca 0.36 -2.37 -0.15 0.00 0.43 0.00 0.00 52.55 50.82 1fni s ASP 102 Cb -0.16 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.00 1fni s ASP 102 CO 0.68 -1.10 0.41 -0.51 -0.17 0.00 0.00 175.17 174.49 1fni s ILE 103 N 3.42 0.01 -0.05 4.11 2.07 -1.26 -3.99 121.20 125.51 1fni s ILE 103 Ca 0.47 -0.07 -0.08 0.00 -1.41 0.00 0.00 60.65 59.56 1fni s ILE 103 Cb 0.00 -0.61 0.01 0.00 0.13 0.00 0.00 42.46 42.00 1fni s ILE 103 CO 0.00 -0.04 0.19 -0.32 -1.91 0.00 0.00 174.94 172.86 1fni s MET 104 N -0.05 0.34 -0.09 3.50 -2.45 -0.55 -1.72 119.30 118.27 1fni s MET 104 Ca -0.02 0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 54.44 1fni s MET 104 Cb -0.03 0.15 -0.03 0.00 1.25 0.00 0.00 34.83 36.17 1fni s MET 104 CO 0.01 -0.07 -0.05 -0.51 1.05 0.00 0.00 175.02 175.46 1fni s LEU 105 N -0.46 3.27 -0.16 4.11 1.43 0.02 -1.31 118.68 125.58 1fni s LEU 105 Ca -0.06 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1fni s LEU 105 Cb -0.04 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1fni s LEU 105 CO 0.01 0.32 -0.17 -0.63 0.23 0.00 0.00 176.35 176.11 1fni s ILE 106 N -0.55 2.45 -0.07 -0.59 1.01 -0.08 -1.12 121.20 122.25 1fni s ILE 106 Ca 0.08 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 1fni s ILE 106 Cb -0.12 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1fni s ILE 106 CO 0.02 0.52 0.48 -0.75 0.00 0.00 0.00 174.94 175.21 1fni s LYS 107 N 0.92 4.25 0.45 2.79 2.20 0.24 -1.00 119.74 129.58 1fni s LYS 107 Ca -0.04 0.49 -0.20 0.00 -0.36 0.00 0.00 55.97 55.86 1fni s LYS 107 Cb -0.15 -3.37 -0.10 0.00 -1.51 0.00 0.00 37.83 32.70 1fni s LYS 107 CO -0.03 0.32 0.95 -0.51 -0.36 0.00 0.00 175.35 175.72 1fni s LEU 108 N 0.09 3.87 0.37 5.43 1.43 -0.39 0.53 118.68 130.01 1fni s LEU 108 Ca 0.26 1.65 0.19 0.00 -1.03 0.00 0.00 54.13 55.20 1fni s LEU 108 Cb -0.16 -4.52 0.59 0.00 0.03 0.00 0.00 46.19 42.13 1fni s LEU 108 CO 0.12 -0.41 1.68 0.77 0.23 0.00 0.00 176.35 178.74 1fni h SER 109 N 1.68 0.00 -4.59 2.29 4.64 -1.50 -3.41 113.55 112.65 1fni h SER 109 Ca -0.48 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.61 1fni h SER 109 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1fni h SER 109 CO 0.61 0.37 -0.70 -0.44 -0.87 0.00 0.00 176.83 175.80 1fni s SER 110 N -6.38 1.16 0.35 4.97 0.01 -1.26 -5.02 113.70 107.52 1fni s SER 110 Ca 0.01 -1.01 -0.29 0.00 1.31 0.00 0.00 55.95 55.98 1fni s SER 110 Cb 0.10 0.09 -0.11 0.00 0.21 0.00 0.00 66.02 66.31 1fni s SER 110 CO 0.69 -0.46 1.51 -2.16 0.41 0.00 0.00 173.24 173.23 1fni s PRO 111 N -3.83 4.12 0.41 12.44 0.05 -1.26 -4.92 135.00 142.01 1fni s PRO 111 Ca 0.12 2.56 -0.26 0.00 0.05 0.00 0.00 61.00 63.47 1fni s PRO 111 Cb 0.05 -2.99 -0.09 0.00 0.05 0.00 0.00 34.50 31.52 1fni s PRO 111 CO -0.05 -0.55 1.35 0.00 0.05 0.00 0.00 177.00 177.81 1fni s ALA 112 N -0.78 3.31 -0.25 8.56 0.00 0.41 -5.00 121.76 128.02 1fni s ALA 112 Ca 0.56 1.33 -0.17 0.00 0.00 0.00 0.00 51.96 53.68 1fni s ALA 112 Cb -0.47 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 1fni s ALA 112 CO 0.58 -0.93 0.48 0.99 0.00 0.00 0.00 175.76 176.89 1fni s THR 113 N -1.22 5.10 0.10 0.00 2.01 -1.26 -4.83 115.64 115.53 1fni s THR 113 Ca 0.57 0.83 -0.25 0.00 0.31 0.00 0.00 61.69 63.14 1fni s THR 113 Cb -0.41 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.24 1fni s THR 113 CO 0.53 0.12 0.78 -0.76 -0.69 0.00 0.00 174.62 174.60 1fni s LEU 114 N 2.10 4.51 0.00 4.42 1.02 -1.26 -4.82 118.68 124.65 1fni s LEU 114 Ca 0.20 1.55 0.00 0.00 0.02 0.00 0.00 54.13 55.90 1fni s LEU 114 Cb -0.16 -3.28 0.00 0.00 0.02 0.00 0.00 46.19 42.77 1fni s LEU 114 CO 0.09 0.08 0.00 -0.46 0.02 0.00 0.00 176.35 176.09 1fni n ASN 115 N 2.34 0.00 0.19 2.29 0.23 -0.53 -4.98 115.26 114.80 1fni n ASN 115 Ca -0.03 -0.20 0.06 0.00 -0.53 0.00 0.00 54.58 53.87 1fni n ASN 115 Cb 0.50 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.53 1fni n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1fni h SER 116 N 0.00 0.00 0.32 0.53 4.64 -2.00 -2.97 113.55 114.08 1fni h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fni h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fni h SER 116 CO 0.00 0.35 -0.78 0.54 -0.87 0.00 0.00 176.83 176.08 1fni n ARG 117 N -3.49 0.06 -3.66 4.77 1.74 -1.26 -4.83 116.66 110.00 1fni n ARG 117 Ca -0.00 -0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1fni n ARG 117 Cb 0.51 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 30.26 1fni n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1fni s VAL 118 N -3.04 0.21 0.06 1.55 1.01 -1.12 -4.31 120.40 114.75 1fni s VAL 118 Ca 0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1fni s VAL 118 Cb 0.16 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 1fni s VAL 118 CO 0.78 -0.32 0.16 0.00 0.00 0.00 0.00 175.10 175.72 1fni s ALA 119 N 2.00 -0.19 0.42 5.51 0.00 -0.75 -1.45 121.76 127.29 1fni s ALA 119 Ca 0.02 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 1fni s ALA 119 Cb -0.16 0.37 -0.08 0.00 0.00 0.00 0.00 23.12 23.25 1fni s ALA 119 CO -0.12 -0.42 0.83 0.95 0.00 0.00 0.00 175.76 177.00 1fni s THR 120 N -3.25 4.67 -0.04 0.00 -4.23 -1.26 -3.19 115.64 108.33 1fni s THR 120 Ca 0.00 0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 61.41 1fni s THR 120 Cb 0.02 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 1fni s THR 120 CO -0.08 -0.49 0.05 0.54 -0.54 0.00 0.00 174.62 174.10 1fni s VAL 121 N -2.36 4.56 0.37 2.29 0.11 -0.39 -4.84 120.40 120.15 1fni s VAL 121 Ca 0.55 -0.34 -0.26 0.00 -2.93 0.00 0.00 61.98 59.00 1fni s VAL 121 Cb -0.10 -3.02 -0.09 0.00 -1.53 0.00 0.00 36.38 31.64 1fni s VAL 121 CO 0.27 0.46 1.12 -0.55 -3.33 0.00 0.00 175.10 173.08 1fni s SER 122 N -1.37 6.74 0.85 3.54 0.15 -1.25 -4.62 113.70 117.74 1fni s SER 122 Ca 0.18 2.25 -0.12 0.00 0.70 0.00 0.00 55.95 58.97 1fni s SER 122 Cb -0.12 -2.61 0.10 0.00 -1.71 0.00 0.00 66.02 61.69 1fni s SER 122 CO 0.09 -0.52 1.10 -0.76 1.20 0.00 0.00 173.24 174.35 1fni s LEU 123 N -2.32 2.38 0.23 3.45 1.43 -1.26 -1.05 118.68 121.54 1fni s LEU 123 Ca 0.55 1.37 -0.30 0.00 -1.03 0.00 0.00 54.13 54.71 1fni s LEU 123 Cb -0.29 -3.86 -0.09 0.00 0.03 0.00 0.00 46.19 41.98 1fni s LEU 123 CO 0.36 -2.34 1.25 -2.84 0.23 0.00 0.00 176.35 173.01 1fni s PRO 124 N -5.06 4.45 0.31 1.29 0.02 -1.26 -4.68 135.00 130.07 1fni s PRO 124 Ca 0.62 2.00 0.17 0.00 0.02 0.00 0.00 61.00 63.82 1fni s PRO 124 Cb -0.16 -3.18 0.13 0.00 0.02 0.00 0.00 34.50 31.31 1fni s PRO 124 CO 0.55 -0.13 1.46 0.00 -0.33 0.00 0.00 177.00 178.56 1fni h ARG 125 N 4.71 0.00 -3.16 5.54 3.08 -1.96 -3.48 114.38 119.12 1fni h ARG 125 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 1fni h ARG 125 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1fni h ARG 125 CO 0.73 0.36 0.18 -1.54 -1.07 0.00 0.00 179.97 178.63 1fni s SER 127 N -6.36 -0.03 0.73 7.04 1.04 -1.26 -5.16 113.70 109.71 1fni s SER 127 Ca 0.04 -0.96 -0.11 0.00 0.48 0.00 0.00 55.95 55.40 1fni s SER 127 Cb 0.07 0.77 0.03 0.00 0.10 0.00 0.00 66.02 66.98 1fni s SER 127 CO 0.73 -1.48 1.08 0.00 0.98 0.00 0.00 173.24 174.55 1fni s ALA 129 N -3.19 3.83 0.45 0.00 0.00 -1.26 -5.08 121.76 116.51 1fni s ALA 129 Ca 0.59 -0.71 -0.23 0.00 0.00 0.00 0.00 51.96 51.61 1fni s ALA 129 Cb -0.13 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 1fni s ALA 129 CO 0.54 0.57 1.10 0.00 0.00 0.00 0.00 175.76 177.97 1fni s ALA 130 N -1.75 2.97 0.31 0.00 0.00 -1.26 -4.98 121.76 117.05 1fni s ALA 130 Ca 0.39 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 1fni s ALA 130 Cb -0.12 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 1fni s ALA 130 CO 0.27 -0.46 1.51 0.00 0.00 0.00 0.00 175.76 177.08 1fni n ALA 132 N -0.49 2.17 -0.08 0.00 0.00 -1.26 -2.75 120.51 118.10 1fni n ALA 132 Ca 0.07 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1fni n ALA 132 Cb 0.49 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1fni n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fni n GLY 133 N 1.59 0.63 3.73 0.00 0.00 0.51 -4.99 105.19 106.66 1fni n GLY 133 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1fni n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fni s THR 134 N -2.30 2.66 0.13 2.61 2.01 -1.11 -4.66 115.64 114.98 1fni s THR 134 Ca 0.00 0.51 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 1fni s THR 134 Cb 0.00 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.12 1fni s THR 134 CO 0.00 0.06 0.89 -0.70 -0.69 0.00 0.00 174.62 174.18 1fni s GLU 135 N 0.43 4.67 0.26 4.92 2.12 -1.26 -0.96 118.70 128.88 1fni s GLU 135 Ca 0.65 1.34 0.04 0.00 0.36 0.00 0.00 54.97 57.36 1fni s GLU 135 Cb -0.43 -3.34 -0.06 0.00 0.26 0.00 0.00 34.13 30.57 1fni s GLU 135 CO 0.37 0.33 -0.01 0.00 -0.54 0.00 0.00 175.26 175.41 1fni s LEU 137 N -3.38 2.19 -0.09 0.00 2.96 -0.04 -1.50 118.68 118.82 1fni s LEU 137 Ca 0.30 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1fni s LEU 137 Cb 0.06 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 1fni s LEU 137 CO 0.11 0.07 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.49 1fni s ILE 138 N 0.87 3.49 0.04 6.68 1.01 0.14 -1.68 121.20 131.75 1fni s ILE 138 Ca -0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1fni s ILE 138 Cb -0.15 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 1fni s ILE 138 CO -0.03 0.57 0.00 -0.94 0.00 0.00 0.00 174.94 174.54 1fni s SER 139 N -0.38 0.31 0.00 3.58 1.04 -1.24 -0.47 113.70 116.54 1fni s SER 139 Ca 0.05 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1fni s SER 139 Cb -0.12 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1fni s SER 139 CO 0.02 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1fni n GLY 140 N 0.86 0.80 1.51 7.32 0.00 -0.63 -4.46 105.19 110.58 1fni n GLY 140 Ca -0.19 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1fni n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fni n TRP 141 N -0.54 1.74 -1.70 1.61 8.01 -1.26 -2.23 117.44 123.06 1fni n TRP 141 Ca 0.00 -1.59 -0.28 0.00 -1.31 0.00 0.00 57.50 54.32 1fni n TRP 141 Cb 0.00 -0.62 0.21 0.00 -2.01 0.00 0.00 31.31 28.88 1fni n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fni n GLY 142 N -1.01 -1.76 3.68 6.99 0.00 -1.25 -4.28 105.19 107.56 1fni n GLY 142 Ca 0.40 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1fni n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fni n ASN 143 N -4.03 2.23 -0.50 1.61 5.15 0.17 -3.21 115.26 116.69 1fni n ASN 143 Ca 0.16 1.06 0.06 0.00 -0.60 0.00 0.00 54.58 55.26 1fni n ASN 143 Cb 0.56 -1.48 0.05 0.00 -0.53 0.00 0.00 39.78 38.39 1fni n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1fni n THR 144 N -0.43 0.02 -4.21 -0.44 -2.24 -0.74 -0.80 114.28 105.44 1fni n THR 144 Ca 0.08 -0.51 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 1fni n THR 144 Cb 0.40 1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 1fni n THR 144 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1fni s LYS 145 N -1.02 1.07 0.02 -0.78 2.36 -1.26 -4.41 119.74 115.72 1fni s LYS 145 Ca 0.15 -1.53 -0.01 0.00 -2.55 0.00 0.00 55.97 52.03 1fni s LYS 145 Cb 0.10 -0.01 -0.01 0.00 -1.05 0.00 0.00 37.83 36.86 1fni s LYS 145 CO 0.15 -0.22 -0.02 0.43 1.55 0.00 0.00 175.35 177.24 1fni n SER 146 N -0.21 0.58 -1.73 1.43 7.64 -1.26 -4.69 113.62 115.37 1fni n SER 146 Ca -0.05 0.08 -0.07 0.00 1.01 0.00 0.00 58.87 59.84 1fni n SER 146 Cb 0.64 -0.19 0.21 0.00 -1.01 0.00 0.00 64.21 63.86 1fni n SER 146 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1fni n SER 147 N -3.29 3.97 0.00 6.43 7.64 -1.26 -4.77 113.62 122.34 1fni n SER 147 Ca -0.02 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.90 1fni n SER 147 Cb 0.32 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1fni n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fni n GLY 148 N -0.19 1.26 0.00 0.23 0.00 -1.26 -5.20 105.19 100.03 1fni n GLY 148 Ca 0.33 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1fni n GLY 148 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fni n SER 149 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.93 113.62 112.45 1fni n SER 149 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1fni n SER 149 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1fni n SER 149 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1fni n SER 150 N 0.74 0.00 -4.66 4.04 2.88 -1.26 -4.83 113.62 110.54 1fni n SER 150 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1fni n SER 150 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1fni n SER 150 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1fni s TYR 151 N 0.00 3.37 0.34 0.66 2.02 -1.26 -1.78 117.35 120.69 1fni s TYR 151 Ca 0.00 1.25 -0.17 0.00 -0.37 0.00 0.00 57.07 57.78 1fni s TYR 151 Cb 0.00 -3.08 -0.09 0.00 -0.40 0.00 0.00 41.96 38.39 1fni s TYR 151 CO 0.00 -0.34 0.80 -1.25 -1.57 0.00 0.00 175.55 173.19 1fni s PRO 152 N 2.59 4.10 0.19 -1.71 0.04 -1.26 -4.99 135.00 133.96 1fni s PRO 152 Ca 0.38 0.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 1fni s PRO 152 Cb -0.16 -2.41 0.09 0.00 0.04 0.00 0.00 34.50 32.06 1fni s PRO 152 CO 0.10 0.13 1.54 0.77 0.04 0.00 0.00 177.00 179.58 1fni h SER 153 N 2.28 0.80 -3.17 6.66 0.02 -1.94 -3.47 113.55 114.73 1fni h SER 153 Ca -0.48 -0.36 -0.67 0.00 -0.84 0.00 0.00 61.79 59.45 1fni h SER 153 Cb 1.18 -0.23 -0.12 0.00 0.14 0.00 0.00 62.40 63.37 1fni h SER 153 CO 0.64 1.09 -0.59 -0.76 -1.14 0.00 0.00 176.83 176.07 1fni s LEU 154 N -8.72 3.77 0.22 5.07 1.43 -1.26 -1.37 118.68 117.82 1fni s LEU 154 Ca -0.09 0.15 -0.32 0.00 -1.03 0.00 0.00 54.13 52.84 1fni s LEU 154 Cb 0.12 -2.06 -0.12 0.00 0.03 0.00 0.00 46.19 44.16 1fni s LEU 154 CO 0.85 0.32 1.69 -0.11 0.23 0.00 0.00 176.35 179.33 1fni n LEU 155 N 1.60 3.99 -4.81 1.79 7.94 -0.94 -4.89 117.00 121.69 1fni n LEU 155 Ca -0.16 1.08 -0.31 0.00 -1.11 0.00 0.00 56.01 55.51 1fni n LEU 155 Cb 0.53 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.86 1fni n LEU 155 CO 0.34 0.14 -0.24 -1.10 -1.11 0.00 0.00 177.39 175.41 1fni s GLN 156 N 0.82 3.02 0.17 1.96 -1.52 -0.95 -1.31 119.66 121.86 1fni s GLN 156 Ca 0.73 -0.61 0.08 0.00 -1.95 0.00 0.00 55.36 53.62 1fni s GLN 156 Cb -0.52 -2.81 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 1fni s GLN 156 CO 0.36 0.58 -0.18 0.00 -0.25 0.00 0.00 175.29 175.80 1fni s LEU 158 N -2.74 -0.64 -0.14 0.00 2.96 0.38 -1.51 118.68 116.99 1fni s LEU 158 Ca 0.17 1.18 -0.19 0.00 -0.22 0.00 0.00 54.13 55.06 1fni s LEU 158 Cb -0.05 1.73 -0.04 0.00 0.50 0.00 0.00 46.19 48.33 1fni s LEU 158 CO 0.07 -0.22 0.50 -0.54 -1.32 0.00 0.00 176.35 174.84 1fni s LYS 159 N 2.12 4.30 -0.02 1.98 1.02 -1.26 0.27 119.74 128.15 1fni s LYS 159 Ca -0.06 0.47 -0.17 0.00 0.02 0.00 0.00 55.97 56.22 1fni s LYS 159 Cb -0.10 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1fni s LYS 159 CO -0.15 0.05 0.36 0.00 -0.92 0.00 0.00 175.35 174.69 1fni s ALA 160 N 0.96 -0.92 0.32 5.17 0.00 -0.56 -4.96 121.76 121.76 1fni s ALA 160 Ca 0.26 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 1fni s ALA 160 Cb -0.15 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 1fni s ALA 160 CO 0.10 -0.28 0.76 -1.25 0.00 0.00 0.00 175.76 175.10 1fni s PRO 161 N -1.32 4.09 0.05 0.00 0.04 -1.26 -0.72 135.00 135.88 1fni s PRO 161 Ca -0.13 0.77 -0.31 0.00 0.04 0.00 0.00 61.00 61.38 1fni s PRO 161 Cb -0.04 -2.49 -0.08 0.00 0.04 0.00 0.00 34.50 31.92 1fni s PRO 161 CO 0.05 0.18 1.62 0.08 0.04 0.00 0.00 177.00 178.97 1fni s VAL 162 N -1.91 3.16 0.34 -0.36 1.01 -0.13 -1.99 120.40 120.52 1fni s VAL 162 Ca 0.53 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 63.00 1fni s VAL 162 Cb -0.11 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 1fni s VAL 162 CO 0.18 -0.00 0.68 -0.76 0.00 0.00 0.00 175.10 175.19 1fni s LEU 163 N 2.65 3.97 0.73 3.92 1.43 -0.42 -0.37 118.68 130.60 1fni s LEU 163 Ca 0.72 1.02 -0.14 0.00 -1.03 0.00 0.00 54.13 54.71 1fni s LEU 163 Cb -0.38 -3.86 0.04 0.00 0.03 0.00 0.00 46.19 42.02 1fni s LEU 163 CO 0.31 -0.28 1.14 -0.94 0.23 0.00 0.00 176.35 176.82 1fni s SER 164 N -2.92 4.45 0.26 2.29 1.04 -1.26 -4.62 113.70 112.94 1fni s SER 164 Ca 0.49 2.12 -0.01 0.00 0.48 0.00 0.00 55.95 59.03 1fni s SER 164 Cb -0.10 -2.56 0.54 0.00 0.10 0.00 0.00 66.02 64.00 1fni s SER 164 CO 0.27 -2.08 1.76 -1.13 0.98 0.00 0.00 173.24 173.04 1fni h ASN 165 N -0.48 0.50 -0.45 7.02 -1.24 -1.97 -2.14 115.58 116.81 1fni h ASN 165 Ca -0.46 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.64 1fni h ASN 165 Cb 1.26 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.31 1fni h ASN 165 CO 0.51 0.20 0.26 0.28 -1.29 0.00 0.00 177.43 177.39 1fni h SER 166 N 0.60 0.55 0.63 1.15 0.02 -1.98 0.21 113.55 114.73 1fni h SER 166 Ca 0.47 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.24 1fni h SER 166 Cb 0.68 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1fni h SER 166 CO -0.38 0.46 -0.50 0.28 -1.14 0.00 0.00 176.83 175.56 1fni h SER 167 N 0.60 0.00 -0.01 3.07 0.02 -1.79 0.09 113.55 115.53 1fni h SER 167 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1fni h SER 167 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1fni h SER 167 CO -0.03 0.50 -0.07 0.00 -1.14 0.00 0.00 176.83 176.09 1fni h LYS 169 N -0.63 0.10 0.00 0.00 1.57 -0.93 -2.56 116.57 114.13 1fni h LYS 169 Ca -0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1fni h LYS 169 Cb 0.79 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1fni h LYS 169 CO 0.01 0.69 -0.21 0.66 -0.57 0.00 0.00 179.45 180.04 1fni h SER 170 N 0.07 0.00 0.15 0.86 4.64 -1.08 -2.83 113.55 115.36 1fni h SER 170 Ca -0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1fni h SER 170 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1fni h SER 170 CO 0.09 0.21 -0.51 0.28 -0.87 0.00 0.00 176.83 176.02 1fni h SER 171 N 0.00 0.44 -2.07 4.97 0.02 -1.38 -3.37 113.55 112.15 1fni h SER 171 Ca -0.00 -0.22 -0.53 0.00 -0.84 0.00 0.00 61.79 60.20 1fni h SER 171 Cb 0.42 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 62.43 1fni h SER 171 CO 0.03 0.88 -1.02 -1.22 -1.14 0.00 0.00 176.83 174.36 1fni n TYR 172 N -3.96 1.12 -1.67 3.45 4.01 -1.09 -4.93 117.16 114.10 1fni n TYR 172 Ca -0.02 -3.83 -0.53 0.00 -0.16 0.00 0.00 57.90 53.36 1fni n TYR 172 Cb 0.57 -0.43 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 1fni n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1fni n PRO 173 N 0.48 1.41 -0.99 -0.72 -0.02 -1.11 -1.05 135.00 133.00 1fni n PRO 173 Ca 0.26 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1fni n PRO 173 Cb 0.56 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1fni n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fni n GLY 174 N 3.67 0.90 0.04 -1.23 0.00 -1.26 -4.87 105.19 102.43 1fni n GLY 174 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 1fni n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fni n GLN 175 N -2.13 1.15 -3.45 1.61 6.02 -0.21 -4.96 117.38 115.41 1fni n GLN 175 Ca 0.00 -0.42 -0.39 0.00 -0.01 0.00 0.00 57.00 56.17 1fni n GLN 175 Cb 0.00 -0.90 -0.10 0.00 1.02 0.00 0.00 30.24 30.27 1fni n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1fni s ILE 176 N -0.37 5.21 0.74 5.09 -1.09 -1.25 -5.04 121.20 124.50 1fni s ILE 176 Ca 0.01 0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.72 1fni s ILE 176 Cb 0.01 -3.69 0.14 0.00 -1.58 0.00 0.00 42.46 37.35 1fni s ILE 176 CO 0.02 0.11 1.02 0.42 -1.23 0.00 0.00 174.94 175.29 1fni s THR 177 N 1.96 2.04 -1.68 2.92 -4.23 -1.26 -4.99 115.64 110.41 1fni s THR 177 Ca 0.12 -0.61 0.19 0.00 -1.18 0.00 0.00 61.69 60.21 1fni s THR 177 Cb -0.16 -2.44 0.43 0.00 1.34 0.00 0.00 72.50 71.67 1fni s THR 177 CO 0.11 0.00 1.58 0.61 -0.54 0.00 0.00 174.62 176.38 1fni n GLY 178 N -2.89 -0.79 1.72 3.99 0.00 -1.26 -2.67 105.19 103.29 1fni n GLY 178 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1fni n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fni n ASN 179 N -1.16 4.52 -3.86 1.61 3.02 -1.26 -4.96 115.26 113.16 1fni n ASN 179 Ca 0.12 -3.22 -0.13 0.00 -0.03 0.00 0.00 54.58 51.31 1fni n ASN 179 Cb 0.12 -0.70 -0.15 0.00 -0.61 0.00 0.00 39.78 38.44 1fni n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1fni s MET 180 N -2.98 0.05 0.15 3.52 -1.94 -1.09 -1.24 119.30 115.77 1fni s MET 180 Ca 0.52 0.02 0.09 0.00 -1.71 0.00 0.00 55.69 54.61 1fni s MET 180 Cb 0.42 -0.12 -0.04 0.00 2.01 0.00 0.00 34.83 37.10 1fni s MET 180 CO 0.12 -0.03 -0.19 0.96 -0.01 0.00 0.00 175.02 175.86 1fni s ILE 181 N 0.25 1.81 -0.10 2.53 -4.36 -0.32 -4.82 121.20 116.19 1fni s ILE 181 Ca -0.02 -1.81 -0.10 0.00 -0.26 0.00 0.00 60.65 58.46 1fni s ILE 181 Cb -0.03 -1.77 -0.05 0.00 1.25 0.00 0.00 42.46 41.86 1fni s ILE 181 CO -0.01 -0.23 0.22 0.00 0.24 0.00 0.00 174.94 175.16 1fni s VAL 183 N -0.87 0.51 -5.00 0.00 1.01 -1.01 -1.29 120.40 113.75 1fni s VAL 183 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1fni s VAL 183 Cb -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1fni s VAL 183 CO 0.06 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1fni n GLY 184 N 3.97 0.56 2.96 4.51 0.00 -0.84 -3.52 105.19 112.83 1fni n GLY 184 Ca -0.25 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 1fni n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fni s PHE 184 N -3.24 1.14 -0.54 1.61 0.08 -1.26 -4.38 117.98 111.40 1fni s PHE 184 Ca 0.00 -0.40 0.26 0.00 0.12 0.00 0.00 56.93 56.91 1fni s PHE 184 Cb 0.00 -0.90 0.80 0.00 -0.57 0.00 0.00 43.02 42.36 1fni s PHE 184 CO 0.00 -0.25 1.75 -0.07 -0.10 0.00 0.00 175.22 176.55 1fni h LEU 185 N 7.10 0.00 -0.05 -0.37 3.38 -1.96 -2.79 115.31 120.62 1fni h LEU 185 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1fni h LEU 185 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1fni h LEU 185 CO 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.99 1fni n GLN 186 N -2.51 0.74 -0.00 1.13 3.00 -1.26 0.00 117.38 118.48 1fni n GLN 186 Ca 0.04 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1fni n GLN 186 Cb 0.40 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.14 1fni n GLN 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fni n GLY 187 N 1.16 -1.32 0.86 1.08 0.00 -1.05 -4.51 105.19 101.40 1fni n GLY 187 Ca 0.19 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1fni n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fni n GLY 188 N -1.11 3.31 2.73 -0.02 0.00 -0.11 -4.94 105.19 105.05 1fni n GLY 188 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1fni n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fni s LYS 188 N -0.65 0.48 0.11 1.61 1.02 -1.26 -3.78 119.74 117.27 1fni s LYS 188 Ca 0.00 -0.00 -0.25 0.00 0.02 0.00 0.00 55.97 55.73 1fni s LYS 188 Cb 0.00 -1.28 0.08 0.00 -0.52 0.00 0.00 37.83 36.12 1fni s LYS 188 CO 0.00 -0.43 1.09 0.34 -0.92 0.00 0.00 175.35 175.43 1fni s ASP 189 N 1.99 -0.07 0.46 2.83 2.15 -0.90 -4.34 116.67 118.78 1fni s ASP 189 Ca 0.03 -0.42 0.03 0.00 0.43 0.00 0.00 52.55 52.62 1fni s ASP 189 Cb -0.14 0.39 0.01 0.00 -0.30 0.00 0.00 42.92 42.89 1fni s ASP 189 CO -0.06 -0.75 0.66 -0.94 -0.17 0.00 0.00 175.17 173.91 1fni s SER 190 N -3.19 5.63 0.24 -0.34 1.04 -1.26 -0.66 113.70 115.16 1fni s SER 190 Ca 0.17 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1fni s SER 190 Cb -0.00 -1.12 -0.00 0.00 0.10 0.00 0.00 66.02 65.00 1fni s SER 190 CO 0.02 -0.83 0.31 0.00 0.98 0.00 0.00 173.24 173.72 1fni n GLN 192 N -0.42 0.81 0.00 0.00 3.00 -1.26 -1.23 117.38 118.27 1fni n GLN 192 Ca 0.02 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1fni n GLN 192 Cb 0.41 -1.76 0.00 0.00 0.00 0.00 0.00 30.24 28.89 1fni n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fni n GLY 193 N 2.00 2.87 0.10 1.08 0.00 -1.26 -0.65 105.19 109.33 1fni n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1fni n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fni h ASP 194 N 0.00 0.00 -2.69 1.61 3.32 -1.48 -3.32 116.42 113.86 1fni h ASP 194 Ca 0.00 -0.10 -0.60 0.00 0.02 0.00 0.00 57.03 56.35 1fni h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1fni h ASP 194 CO 0.00 0.05 -0.05 -1.20 -1.72 0.00 0.00 179.24 176.32 1fni n SER 195 N -2.40 0.46 0.00 6.45 7.64 -1.25 -1.43 113.62 123.10 1fni n SER 195 Ca 0.03 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1fni n SER 195 Cb 0.47 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1fni n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fni n GLY 196 N 1.42 2.75 3.92 0.23 0.00 -0.54 -0.21 105.19 112.75 1fni n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1fni n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fni s GLY 197 N -1.70 1.68 0.26 -0.02 0.00 -0.51 -3.27 107.32 103.76 1fni s GLY 197 Ca 0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 44.72 43.60 1fni s GLY 197 CO 0.00 -0.30 0.80 2.56 0.00 0.00 0.00 173.10 176.16 1fni s PRO 198 N -5.69 4.35 -0.25 2.90 0.04 -1.26 -1.27 135.00 133.82 1fni s PRO 198 Ca 0.67 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1fni s PRO 198 Cb -0.08 -2.83 0.04 0.00 0.04 0.00 0.00 34.50 31.67 1fni s PRO 198 CO 0.50 0.34 -0.09 0.08 0.04 0.00 0.00 177.00 177.88 1fni s VAL 199 N -1.58 2.54 -0.15 -0.36 1.01 -0.61 -3.60 120.40 117.65 1fni s VAL 199 Ca 0.46 -1.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1fni s VAL 199 Cb -0.17 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1fni s VAL 199 CO 0.22 0.11 -0.13 -0.69 0.00 0.00 0.00 175.10 174.61 1fni s VAL 200 N 1.23 2.95 -0.08 2.92 1.01 -0.67 -1.00 120.40 126.75 1fni s VAL 200 Ca -0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1fni s VAL 200 Cb -0.18 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1fni s VAL 200 CO -0.05 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.52 1fni n ASN 202 N 4.86 -1.76 0.00 0.00 3.02 -1.26 -2.11 115.26 118.00 1fni n ASN 202 Ca -0.12 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1fni n ASN 202 Cb 0.50 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 1fni n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fni n GLY 203 N -1.76 0.75 3.07 7.41 0.00 -1.26 -5.01 105.19 108.39 1fni n GLY 203 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1fni n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fni s GLN 204 N -0.21 1.30 -0.41 1.61 -0.21 -0.90 -3.95 119.66 116.88 1fni s GLN 204 Ca 0.00 -0.45 -0.28 0.00 0.02 0.00 0.00 55.36 54.65 1fni s GLN 204 Cb 0.00 -1.18 -0.00 0.00 1.00 0.00 0.00 33.01 32.83 1fni s GLN 204 CO 0.00 0.19 1.56 -1.17 -2.12 0.00 0.00 175.29 173.75 1fni s LEU 209 N 0.06 3.52 -0.03 2.90 2.96 -0.22 -0.77 118.68 127.10 1fni s LEU 209 Ca -0.02 0.90 0.15 0.00 -0.22 0.00 0.00 54.13 54.94 1fni s LEU 209 Cb -0.09 -3.43 -0.23 0.00 0.50 0.00 0.00 46.19 42.94 1fni s LEU 209 CO 0.01 -1.60 0.30 0.00 -1.32 0.00 0.00 176.35 173.74 1fni n GLN 210 N 8.31 0.60 -4.13 1.98 1.13 -0.17 -4.09 117.38 121.01 1fni n GLN 210 Ca 0.18 -0.12 -0.12 0.00 -1.94 0.00 0.00 57.00 55.00 1fni n GLN 210 Cb 0.48 -1.36 -0.11 0.00 0.11 0.00 0.00 30.24 29.36 1fni n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1fni s GLY 211 N -3.86 0.66 -0.09 1.08 0.00 -1.04 -1.39 107.32 102.69 1fni s GLY 211 Ca -0.06 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.58 1fni s GLY 211 CO 0.62 -1.20 -0.19 -0.42 0.00 0.00 0.00 173.10 171.91 1fni s ILE 212 N -2.73 2.54 -0.04 0.90 1.01 -0.96 -1.58 121.20 120.35 1fni s ILE 212 Ca 0.03 -0.87 -0.32 0.00 0.00 0.00 0.00 60.65 59.49 1fni s ILE 212 Cb -0.01 -1.99 -0.10 0.00 0.01 0.00 0.00 42.46 40.36 1fni s ILE 212 CO -0.03 0.56 1.94 0.52 0.00 0.00 0.00 174.94 177.93 1fni n VAL 213 N 3.13 0.67 0.01 2.92 0.31 -0.40 -1.60 118.33 123.38 1fni n VAL 213 Ca -0.18 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1fni n VAL 213 Cb 0.52 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 1fni n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1fni n SER 214 N 7.21 0.15 -2.26 4.52 2.88 -1.10 -1.47 113.62 123.55 1fni n SER 214 Ca 0.22 0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.71 1fni n SER 214 Cb 0.35 -0.03 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 1fni n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1fni n TRP 215 N -2.68 -1.29 0.00 0.66 4.27 -0.64 -4.96 117.44 112.80 1fni n TRP 215 Ca 0.00 -1.45 0.00 0.00 -3.89 0.00 0.00 57.50 52.16 1fni n TRP 215 Cb 0.00 0.42 0.00 0.00 -1.36 0.00 0.00 31.31 30.37 1fni n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1fni n GLY 216 N -0.37 -0.21 3.42 -1.67 0.00 -1.26 -0.95 105.19 104.15 1fni n GLY 216 Ca -0.01 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.67 1fni n GLY 216 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fni s TYR 217 N -2.00 3.07 0.00 1.61 5.04 -1.26 -4.97 117.35 118.84 1fni s TYR 217 Ca 0.00 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 53.95 1fni s TYR 217 Cb 0.00 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.74 1fni s TYR 217 CO 0.00 -1.04 0.00 0.41 -1.34 0.00 0.00 175.55 173.58 1fni n GLY 219 N 5.20 0.28 2.91 8.97 0.00 -1.26 -4.69 105.19 116.60 1fni n GLY 219 Ca -0.08 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 1fni n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fni n ALA 221 N 3.97 -0.11 -1.76 0.00 0.00 -1.26 -4.89 120.51 116.45 1fni n ALA 221 Ca -0.25 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 1fni n ALA 221 Cb 0.51 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1fni n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1fni s GLN 221 N -2.52 4.66 0.07 0.00 -0.21 -1.26 -0.94 119.66 119.47 1fni s GLN 221 Ca 0.00 1.50 -0.37 0.00 0.02 0.00 0.00 55.36 56.50 1fni s GLN 221 Cb 0.00 -3.04 -0.17 0.00 1.00 0.00 0.00 33.01 30.80 1fni s GLN 221 CO 0.00 0.32 1.27 1.17 -2.12 0.00 0.00 175.29 175.93 1fni n LYS 222 N 0.98 0.88 -1.51 2.91 4.81 -1.26 -2.12 118.16 122.85 1fni n LYS 222 Ca 0.00 0.32 -0.17 0.00 -0.87 0.00 0.00 58.31 57.58 1fni n LYS 222 Cb 0.48 -1.92 -0.07 0.00 0.02 0.00 0.00 35.03 33.53 1fni n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1fni n ASN 223 N 2.27 -5.24 -3.26 3.14 3.02 0.10 -4.91 115.26 110.39 1fni n ASN 223 Ca 0.19 0.43 -0.25 0.00 -0.03 0.00 0.00 54.58 54.92 1fni n ASN 223 Cb 0.17 -4.27 -0.07 0.00 -0.61 0.00 0.00 39.78 34.99 1fni n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1fni n LYS 224 N -2.30 1.28 -1.02 3.52 4.76 -0.90 -4.76 118.16 118.73 1fni n LYS 224 Ca -0.17 -3.67 -0.32 0.00 -2.87 0.00 0.00 58.31 51.28 1fni n LYS 224 Cb 0.60 -1.54 0.13 0.00 -1.84 0.00 0.00 35.03 32.38 1fni n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1fni s PRO 225 N -1.61 1.61 0.55 1.97 0.04 -1.26 -4.42 135.00 131.88 1fni s PRO 225 Ca 0.37 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 1fni s PRO 225 Cb 0.17 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.86 1fni s PRO 225 CO -0.08 -2.18 1.24 0.20 0.04 0.00 0.00 177.00 176.22 1fni s GLY 226 N -2.73 2.80 -0.10 0.56 0.00 -1.23 -4.74 107.32 101.88 1fni s GLY 226 Ca 0.67 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.48 1fni s GLY 226 CO 0.54 1.53 -0.10 0.14 0.00 0.00 0.00 173.10 175.22 1fni s VAL 227 N -1.49 3.41 0.02 1.40 1.01 -0.13 -2.40 120.40 122.22 1fni s VAL 227 Ca 0.72 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1fni s VAL 227 Cb -0.33 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1fni s VAL 227 CO 0.38 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.56 1fni s TYR 228 N -0.20 1.43 0.29 5.22 1.51 0.10 -1.63 117.35 124.07 1fni s TYR 228 Ca 0.02 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1fni s TYR 228 Cb -0.13 -0.88 -0.10 0.00 -0.11 0.00 0.00 41.96 40.74 1fni s TYR 228 CO 0.03 0.02 1.41 0.99 -1.11 0.00 0.00 175.55 176.89 1fni s THR 229 N -0.64 2.57 -0.83 -0.71 2.01 -0.63 -1.18 115.64 116.24 1fni s THR 229 Ca 0.05 0.52 -0.19 0.00 0.31 0.00 0.00 61.69 62.38 1fni s THR 229 Cb -0.07 -3.33 0.13 0.00 0.01 0.00 0.00 72.50 69.23 1fni s THR 229 CO 0.01 0.10 1.00 -0.75 -0.69 0.00 0.00 174.62 174.29 1fni s LYS 230 N -1.04 3.44 0.49 4.92 2.20 -0.37 -2.26 119.74 127.11 1fni s LYS 230 Ca 0.55 -1.62 0.23 0.00 -0.36 0.00 0.00 55.97 54.77 1fni s LYS 230 Cb -0.42 -4.66 1.26 0.00 -1.51 0.00 0.00 37.83 32.50 1fni s LYS 230 CO 0.49 -1.70 2.02 0.28 -0.36 0.00 0.00 175.35 176.09 1fni h VAL 231 N 5.76 0.77 0.00 4.02 2.07 -1.51 -2.66 116.25 124.70 1fni h VAL 231 Ca 0.02 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1fni h VAL 231 Cb 1.04 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1fni h VAL 231 CO 1.08 0.16 0.00 0.00 0.02 0.00 0.00 177.57 178.83 1fni n ASN 233 N -2.22 0.25 -0.43 0.00 3.02 -1.00 -4.35 115.26 110.53 1fni n ASN 233 Ca 0.01 0.53 0.04 0.00 -0.03 0.00 0.00 54.58 55.12 1fni n ASN 233 Cb 0.14 -0.59 0.10 0.00 -0.61 0.00 0.00 39.78 38.82 1fni n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1fni n TYR 234 N -1.74 0.30 -0.27 3.10 4.01 -0.15 -4.73 117.16 117.69 1fni n TYR 234 Ca 0.06 -0.48 -0.07 0.00 -0.16 0.00 0.00 57.90 57.25 1fni n TYR 234 Cb 0.35 -0.03 0.05 0.00 -0.31 0.00 0.00 39.34 39.40 1fni n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1fni h VAL 235 N 1.37 1.26 -0.17 -0.72 2.07 -1.76 -1.34 116.25 116.98 1fni h VAL 235 Ca 0.00 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1fni h VAL 235 Cb 0.64 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1fni h VAL 235 CO 0.00 0.37 0.11 0.78 0.02 0.00 0.00 177.57 178.85 1fni h ASN 236 N 1.11 0.19 -0.43 0.57 -0.26 -1.93 -1.13 115.58 113.70 1fni h ASN 236 Ca 0.23 -0.02 0.05 0.00 -0.56 0.00 0.00 56.30 56.00 1fni h ASN 236 Cb 0.34 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.51 1fni h ASN 236 CO -0.00 0.15 0.18 -0.25 -1.06 0.00 0.00 177.43 176.44 1fni h TRP 237 N 0.22 0.32 -0.26 1.19 7.01 -1.82 -0.47 115.95 122.14 1fni h TRP 237 Ca 0.06 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1fni h TRP 237 Cb -0.01 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 1fni h TRP 237 CO -0.06 0.14 0.07 0.82 -2.79 0.00 0.00 178.44 176.61 1fni h ILE 238 N 0.36 0.90 -0.31 2.65 2.04 -1.12 -1.35 117.51 120.68 1fni h ILE 238 Ca 0.20 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 1fni h ILE 238 Cb 0.16 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1fni h ILE 238 CO -0.18 0.03 0.02 -0.61 0.00 0.00 0.00 178.15 177.41 1fni h GLN 239 N 0.17 0.53 -0.79 2.37 5.75 -0.98 -1.23 115.11 120.94 1fni h GLN 239 Ca 0.12 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1fni h GLN 239 Cb 0.10 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 1fni h GLN 239 CO -0.14 0.66 0.47 1.96 -2.65 0.00 0.00 178.83 179.12 1fni h GLN 240 N 0.34 1.07 -0.26 1.69 4.20 -1.06 -1.07 115.11 120.02 1fni h GLN 240 Ca 0.09 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1fni h GLN 240 Cb 0.40 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1fni h GLN 240 CO 0.01 0.76 -0.26 1.15 -0.67 0.00 0.00 178.83 179.82 1fni h THR 241 N 1.09 1.31 -0.74 -0.54 2.02 -0.95 -2.69 112.91 112.41 1fni h THR 241 Ca 0.28 -1.43 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 1fni h THR 241 Cb -0.03 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1fni h THR 241 CO -0.05 0.45 0.27 0.40 0.37 0.00 0.00 175.52 176.96 1fni h ILE 242 N 0.36 1.25 0.00 3.11 2.04 -1.07 -2.86 117.51 120.34 1fni h ILE 242 Ca 0.04 -0.82 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 1fni h ILE 242 Cb 0.82 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1fni h ILE 242 CO 0.06 0.33 -0.47 0.00 0.00 0.00 0.00 178.15 178.07 1fni h ALA 243 N 1.21 1.17 -0.00 1.87 0.00 -1.10 -3.07 119.26 119.34 1fni h ALA 243 Ca 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1fni h ALA 243 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1fni h ALA 243 CO -0.02 0.59 -0.34 0.00 0.00 0.00 0.00 179.25 179.48 1fni n ALA 244 N -2.43 3.24 -0.69 0.00 0.00 -1.02 -5.11 120.51 114.51 1fni n ALA 244 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1fni n ALA 244 Cb 0.50 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1fni n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59