#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 43ca s VAL 2 N 0.00 3.33 -0.21 2.12 1.01 -1.26 -5.01 120.40 120.37 43ca s VAL 2 Ca 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.83 43ca s VAL 2 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 43ca s VAL 2 CO 0.00 0.10 0.28 -0.69 0.00 0.00 0.00 175.10 174.79 43ca s VAL 3 N 0.83 5.28 -0.26 2.92 1.01 -1.26 -4.68 120.40 124.24 43ca s VAL 3 Ca 0.62 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.97 43ca s VAL 3 Cb -0.36 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 43ca s VAL 3 CO 0.32 0.31 0.13 -0.04 0.00 0.00 0.00 175.10 175.82 43ca s MET 4 N 1.12 3.84 -0.23 2.72 -1.94 -1.26 -2.00 119.30 121.54 43ca s MET 4 Ca 0.14 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 43ca s MET 4 Cb -0.14 -3.49 0.03 0.00 2.01 0.00 0.00 34.83 33.24 43ca s MET 4 CO 0.06 -0.14 -0.11 0.99 -0.01 0.00 0.00 175.02 175.80 43ca s THR 5 N 1.58 2.45 0.02 2.05 2.01 0.20 -4.10 115.64 119.85 43ca s THR 5 Ca 0.07 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 60.91 43ca s THR 5 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 43ca s THR 5 CO 0.07 0.24 0.06 -1.10 -0.69 0.00 0.00 174.62 173.19 43ca s GLN 6 N 1.25 2.94 -0.07 4.92 -0.21 -1.26 -0.73 119.66 126.50 43ca s GLN 6 Ca -0.01 -0.57 -0.18 0.00 0.02 0.00 0.00 55.36 54.62 43ca s GLN 6 Cb -0.16 -2.77 0.04 0.00 1.00 0.00 0.00 33.01 31.11 43ca s GLN 6 CO -0.07 0.62 0.42 0.95 -2.12 0.00 0.00 175.29 175.09 43ca s THR 7 N -1.22 0.03 0.73 -0.19 -4.23 -1.16 -4.53 115.64 105.07 43ca s THR 7 Ca 0.24 -0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.42 43ca s THR 7 Cb -0.12 -0.69 0.04 0.00 1.34 0.00 0.00 72.50 73.07 43ca s THR 7 CO 0.15 -0.12 1.10 -2.16 -0.54 0.00 0.00 174.62 173.05 43ca s PRO 8 N -0.75 2.50 0.20 3.99 0.04 -1.26 -1.91 135.00 137.81 43ca s PRO 8 Ca -0.08 0.24 -0.10 0.00 0.04 0.00 0.00 61.00 61.10 43ca s PRO 8 Cb -0.04 -2.03 0.14 0.00 0.04 0.00 0.00 34.50 32.61 43ca s PRO 8 CO 0.04 -1.21 1.82 0.77 0.04 0.00 0.00 177.00 178.46 43ca h SER 9 N -0.75 0.91 -5.14 6.66 0.02 -1.80 -3.40 113.55 110.05 43ca h SER 9 Ca -0.45 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.32 43ca h SER 9 Cb 1.28 -0.23 -0.14 0.00 0.14 0.00 0.00 62.40 63.45 43ca h SER 9 CO 0.64 0.75 -0.32 -0.94 -1.14 0.00 0.00 176.83 175.82 43ca s SER 10 N -6.05 0.06 -0.25 3.07 1.04 -1.26 0.13 113.70 110.43 43ca s SER 10 Ca -0.13 -0.59 -0.26 0.00 0.48 0.00 0.00 55.95 55.46 43ca s SER 10 Cb 0.15 0.36 0.08 0.00 0.10 0.00 0.00 66.02 66.71 43ca s SER 10 CO 0.80 -0.75 0.76 -1.48 0.98 0.00 0.00 173.24 173.55 43ca s LEU 11 N -2.84 -0.70 -0.18 2.42 0.05 -0.65 -4.90 118.68 111.88 43ca s LEU 11 Ca 0.04 1.30 -0.05 0.00 0.05 0.00 0.00 54.13 55.48 43ca s LEU 11 Cb 0.04 2.39 -0.03 0.00 -2.05 0.00 0.00 46.19 46.54 43ca s LEU 11 CO -0.11 -0.27 0.01 0.00 -0.55 0.00 0.00 176.35 175.43 43ca s ALA 12 N 0.22 3.12 0.44 1.48 0.00 -1.26 -0.89 121.76 124.87 43ca s ALA 12 Ca -0.00 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.12 43ca s ALA 12 Cb -0.05 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 43ca s ALA 12 CO 0.01 0.05 0.13 -1.64 0.00 0.00 0.00 175.76 174.30 43ca s MET 13 N 0.64 2.02 0.02 0.00 -1.94 0.22 -4.97 119.30 115.29 43ca s MET 13 Ca -0.00 -2.26 0.06 0.00 -1.71 0.00 0.00 55.69 51.79 43ca s MET 13 Cb -0.14 -0.67 -0.02 0.00 2.01 0.00 0.00 34.83 36.01 43ca s MET 13 CO 0.02 -0.52 -0.19 -1.12 -0.01 0.00 0.00 175.02 173.20 43ca s SER 14 N -3.66 2.30 0.58 3.03 0.01 -1.26 -1.65 113.70 113.04 43ca s SER 14 Ca 0.20 -0.43 -0.18 0.00 1.31 0.00 0.00 55.95 56.85 43ca s SER 14 Cb 0.01 -0.22 -0.13 0.00 0.21 0.00 0.00 66.02 65.90 43ca s SER 14 CO 0.13 0.19 -0.01 0.52 0.41 0.00 0.00 173.24 174.48 43ca n VAL 15 N 2.21 0.57 0.00 3.43 0.31 -1.26 -1.76 118.33 121.83 43ca n VAL 15 Ca -0.16 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 43ca n VAL 15 Cb 0.53 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 43ca n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 43ca n GLY 16 N 2.39 1.88 3.51 2.92 0.00 -0.39 -4.89 105.19 110.60 43ca n GLY 16 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 43ca n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 43ca n GLN 17 N 0.00 -1.79 -3.83 1.61 6.02 -0.72 -4.03 117.38 114.63 43ca n GLN 17 Ca 0.00 -0.48 -0.35 0.00 -0.01 0.00 0.00 57.00 56.16 43ca n GLN 17 Cb 0.00 -2.18 -0.09 0.00 1.02 0.00 0.00 30.24 28.99 43ca n GLN 17 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 43ca s LYS 18 N -4.36 4.09 0.00 -1.09 2.20 -1.23 -0.21 119.74 119.14 43ca s LYS 18 Ca 0.67 -0.28 0.04 0.00 -0.36 0.00 0.00 55.97 56.04 43ca s LYS 18 Cb -0.24 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 43ca s LYS 18 CO 0.63 0.26 -0.10 0.08 -0.36 0.00 0.00 175.35 175.86 43ca s VAL 19 N 0.45 3.40 -0.07 4.02 1.01 0.43 -4.99 120.40 124.65 43ca s VAL 19 Ca 0.06 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 43ca s VAL 19 Cb -0.12 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.84 43ca s VAL 19 CO -0.00 0.42 0.01 -0.89 0.00 0.00 0.00 175.10 174.63 43ca s THR 20 N -0.94 0.33 -0.03 3.92 2.01 -1.26 -0.85 115.64 118.81 43ca s THR 20 Ca 0.16 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.34 43ca s THR 20 Cb -0.11 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.91 43ca s THR 20 CO 0.06 0.25 -0.12 0.00 -0.69 0.00 0.00 174.62 174.12 43ca s MET 21 N 1.96 1.20 0.41 4.92 0.23 -0.40 -4.83 119.30 122.79 43ca s MET 21 Ca 0.05 -0.40 0.07 0.00 -1.03 0.00 0.00 55.69 54.37 43ca s MET 21 Cb -0.12 -1.09 0.01 0.00 -1.53 0.00 0.00 34.83 32.09 43ca s MET 21 CO -0.05 0.16 0.56 -1.12 -2.03 0.00 0.00 175.02 172.54 43ca s SER 22 N 0.12 5.73 -0.27 -1.18 0.01 -0.80 -0.40 113.70 116.90 43ca s SER 22 Ca -0.03 -0.30 -0.06 0.00 1.31 0.00 0.00 55.95 56.87 43ca s SER 22 Cb -0.09 -0.87 0.14 0.00 0.21 0.00 0.00 66.02 65.41 43ca s SER 22 CO 0.01 -0.69 0.56 0.00 0.41 0.00 0.00 173.24 173.53 43ca s LYS 24 N 2.79 2.62 0.04 0.00 -0.14 0.10 -0.81 119.74 124.34 43ca s LYS 24 Ca 0.05 -0.69 0.08 0.00 -1.36 0.00 0.00 55.97 54.05 43ca s LYS 24 Cb -0.13 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 43ca s LYS 24 CO -0.18 0.61 -0.21 -1.54 -0.76 0.00 0.00 175.35 173.27 43ca s SER 25 N -1.42 3.57 0.52 2.83 1.04 -0.61 -0.63 113.70 119.00 43ca s SER 25 Ca 0.17 -0.49 0.30 0.00 0.48 0.00 0.00 55.95 56.42 43ca s SER 25 Cb -0.11 -0.49 1.25 0.00 0.10 0.00 0.00 66.02 66.77 43ca s SER 25 CO 0.08 0.26 1.95 0.77 0.98 0.00 0.00 173.24 177.27 43ca h SER 26 N 4.62 0.00 -4.81 7.02 4.64 -1.74 -3.44 113.55 119.84 43ca h SER 26 Ca -0.47 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.62 43ca h SER 26 Cb 1.15 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.05 43ca h SER 26 CO 0.46 0.09 -0.72 -1.10 -0.87 0.00 0.00 176.83 174.69 43ca s GLN 27 N -3.72 0.56 0.00 4.77 -0.21 -1.26 -5.00 119.66 114.80 43ca s GLN 27 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.49 43ca s GLN 27 Cb 0.10 -0.16 0.00 0.00 1.00 0.00 0.00 33.01 33.95 43ca s GLN 27 CO 0.57 0.00 0.00 0.45 -2.12 0.00 0.00 175.29 174.20 43ca n SER 27 N 1.05 -1.09 -1.21 5.90 2.88 -1.26 -4.76 113.62 115.13 43ca n SER 27 Ca -0.20 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 43ca n SER 27 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 43ca n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 43ca n LEU 27 N 0.00 -4.87 -4.49 2.46 7.94 -1.26 -5.00 117.00 111.77 43ca n LEU 27 Ca 0.00 2.11 -0.42 0.00 -1.11 0.00 0.00 56.01 56.59 43ca n LEU 27 Cb 0.00 -1.69 -0.10 0.00 0.53 0.00 0.00 43.42 42.16 43ca n LEU 27 CO 0.00 -0.43 -0.09 0.21 -1.11 0.00 0.00 177.39 175.97 43ca s ASN 27 N -1.62 6.09 -0.96 1.96 2.47 -0.63 -4.99 114.94 117.25 43ca s ASN 27 Ca 0.00 -0.70 -0.21 0.00 0.42 0.00 0.00 52.86 52.37 43ca s ASN 27 Cb 0.00 -2.15 0.08 0.00 -1.45 0.00 0.00 41.25 37.73 43ca s ASN 27 CO 0.00 -0.36 1.29 0.27 -3.72 0.00 0.00 177.10 174.58 43ca s ILE 27 N 1.70 4.28 0.00 -5.21 -4.36 -1.26 0.11 121.20 116.46 43ca s ILE 27 Ca 0.06 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 43ca s ILE 27 Cb -0.18 -4.92 0.00 0.00 1.25 0.00 0.00 42.46 38.60 43ca s ILE 27 CO 0.10 -1.74 0.00 -1.20 0.24 0.00 0.00 174.94 172.35 43ca n SER 27 N 7.85 0.00 0.00 4.36 7.64 -1.26 -4.87 113.62 127.34 43ca n SER 27 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 43ca n SER 27 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 43ca n SER 27 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 43ca n ASN 28 N 0.00 0.08 -2.72 6.43 6.94 -1.09 -5.02 115.26 119.88 43ca n ASN 28 Ca 0.00 -0.69 -0.16 0.00 -0.02 0.00 0.00 54.58 53.71 43ca n ASN 28 Cb 0.00 0.04 -0.00 0.00 -2.36 0.00 0.00 39.78 37.46 43ca n ASN 28 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 43ca n GLN 29 N -0.04 -2.73 -4.51 -3.83 1.13 0.30 -4.96 117.38 102.73 43ca n GLN 29 Ca 0.00 0.60 -0.34 0.00 -1.94 0.00 0.00 57.00 55.33 43ca n GLN 29 Cb 0.15 -5.25 -0.12 0.00 0.11 0.00 0.00 30.24 25.12 43ca n GLN 29 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 43ca s LYS 30 N -5.33 3.32 -0.24 -1.09 1.02 -1.22 -4.87 119.74 111.33 43ca s LYS 30 Ca 0.13 -0.54 -0.22 0.00 0.02 0.00 0.00 55.97 55.36 43ca s LYS 30 Cb -0.06 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 43ca s LYS 30 CO 0.15 0.40 0.68 -0.80 -0.92 0.00 0.00 175.35 174.86 43ca s ASN 31 N -0.07 6.67 -1.29 2.83 0.01 -1.26 -1.61 114.94 120.21 43ca s ASN 31 Ca 0.01 0.83 -0.16 0.00 -0.71 0.00 0.00 52.86 52.83 43ca s ASN 31 Cb -0.13 -2.37 0.10 0.00 0.41 0.00 0.00 41.25 39.26 43ca s ASN 31 CO 0.03 -0.38 1.71 -1.22 -1.51 0.00 0.00 177.10 175.72 43ca n TYR 32 N 5.63 4.57 -3.82 2.20 4.02 -1.26 -3.19 117.16 125.31 43ca n TYR 32 Ca 0.01 -2.99 -0.13 0.00 -0.01 0.00 0.00 57.90 54.77 43ca n TYR 32 Cb 0.49 -2.48 -0.15 0.00 -0.02 0.00 0.00 39.34 37.18 43ca n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 43ca s LEU 33 N 3.12 1.47 0.17 7.72 2.96 -1.26 -0.48 118.68 132.37 43ca s LEU 33 Ca 0.50 0.08 0.10 0.00 -0.22 0.00 0.00 54.13 54.58 43ca s LEU 33 Cb 0.03 0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.75 43ca s LEU 33 CO 0.04 -0.07 -0.21 0.00 -1.32 0.00 0.00 176.35 174.79 43ca s ALA 34 N 0.52 2.22 -0.04 5.97 0.00 -0.35 -0.83 121.76 129.25 43ca s ALA 34 Ca -0.04 -1.53 0.04 0.00 0.00 0.00 0.00 51.96 50.43 43ca s ALA 34 Cb -0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 43ca s ALA 34 CO -0.02 0.33 -0.17 -1.58 0.00 0.00 0.00 175.76 174.33 43ca s TRP 35 N -1.79 1.69 0.09 0.00 0.52 -0.15 -1.46 118.94 117.84 43ca s TRP 35 Ca 0.17 -0.46 0.07 0.00 0.02 0.00 0.00 56.10 55.90 43ca s TRP 35 Cb -0.07 -1.13 -0.03 0.00 -1.15 0.00 0.00 33.47 31.08 43ca s TRP 35 CO 0.08 -0.15 -0.19 0.71 0.02 0.00 0.00 176.95 177.42 43ca s TYR 36 N -0.02 1.60 -0.08 -1.98 1.51 0.34 -0.99 117.35 117.73 43ca s TYR 36 Ca -0.02 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 43ca s TYR 36 Cb -0.11 -0.88 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 43ca s TYR 36 CO 0.02 0.16 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.33 43ca s GLN 37 N -1.86 2.84 -0.22 -0.62 0.74 0.10 -1.36 119.66 119.27 43ca s GLN 37 Ca 0.04 -0.70 -0.02 0.00 0.05 0.00 0.00 55.36 54.72 43ca s GLN 37 Cb -0.10 -2.46 0.07 0.00 1.10 0.00 0.00 33.01 31.62 43ca s GLN 37 CO 0.04 0.46 0.05 -1.14 -0.55 0.00 0.00 175.29 174.14 43ca s GLN 38 N -0.30 0.68 0.16 1.67 0.74 0.78 -0.46 119.66 122.93 43ca s GLN 38 Ca 0.02 -0.57 -0.06 0.00 0.05 0.00 0.00 55.36 54.81 43ca s GLN 38 Cb -0.13 -2.06 -0.06 0.00 1.10 0.00 0.00 33.01 31.87 43ca s GLN 38 CO 0.03 -0.72 0.41 0.15 -0.55 0.00 0.00 175.29 174.61 43ca s LYS 39 N 1.81 3.65 0.38 1.67 1.02 -1.26 -1.63 119.74 125.38 43ca s LYS 39 Ca 0.01 -0.02 -0.23 0.00 0.02 0.00 0.00 55.97 55.75 43ca s LYS 39 Cb -0.17 -2.80 -0.14 0.00 -0.52 0.00 0.00 37.83 34.20 43ca s LYS 39 CO -0.13 0.43 0.46 -2.30 -0.92 0.00 0.00 175.35 172.89 43ca n PRO 40 N -0.00 0.41 -1.10 -1.68 -0.02 -1.26 -2.33 135.00 129.02 43ca n PRO 40 Ca -0.02 0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.58 43ca n PRO 40 Cb 0.52 -1.35 -0.01 0.00 -0.02 0.00 0.00 33.50 32.64 43ca n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 43ca n GLY 41 N 1.91 0.33 3.34 -1.23 0.00 -1.26 -4.93 105.19 103.35 43ca n GLY 41 Ca 0.12 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 43ca n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 43ca s GLN 42 N -2.28 1.31 0.63 1.61 -0.21 -0.98 -5.14 119.66 114.60 43ca s GLN 42 Ca 0.00 -1.55 -0.13 0.00 0.02 0.00 0.00 55.36 53.70 43ca s GLN 42 Cb 0.00 -1.15 -0.03 0.00 1.00 0.00 0.00 33.01 32.83 43ca s GLN 42 CO 0.00 0.20 1.04 -1.54 -2.12 0.00 0.00 175.29 172.87 43ca s SER 43 N -3.19 5.87 0.28 5.90 1.04 -1.26 -4.67 113.70 117.67 43ca s SER 43 Ca 0.21 1.60 -0.29 0.00 0.48 0.00 0.00 55.95 57.95 43ca s SER 43 Cb -0.02 -2.50 -0.10 0.00 0.10 0.00 0.00 66.02 63.51 43ca s SER 43 CO 0.07 -1.11 1.24 -2.84 0.98 0.00 0.00 173.24 171.58 43ca s PRO 44 N -4.73 4.46 -0.10 4.02 0.02 -1.26 -4.67 135.00 132.74 43ca s PRO 44 Ca 0.59 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.64 43ca s PRO 44 Cb -0.13 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 43ca s PRO 44 CO 0.47 -0.07 -0.07 -1.59 -0.33 0.00 0.00 177.00 175.42 43ca s LYS 45 N -1.25 3.08 0.30 5.54 -2.85 0.39 -4.90 119.74 120.05 43ca s LYS 45 Ca 0.49 -0.55 -0.29 0.00 -1.00 0.00 0.00 55.97 54.62 43ca s LYS 45 Cb -0.36 -2.69 -0.10 0.00 -2.06 0.00 0.00 37.83 32.62 43ca s LYS 45 CO 0.45 0.50 1.42 -1.17 0.10 0.00 0.00 175.35 176.65 43ca s LEU 46 N -0.36 4.38 -0.04 2.77 2.96 -1.26 -0.72 118.68 126.41 43ca s LEU 46 Ca 0.05 2.78 -0.08 0.00 -0.22 0.00 0.00 54.13 56.66 43ca s LEU 46 Cb -0.12 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 43ca s LEU 46 CO 0.02 -0.70 -0.16 0.18 -1.32 0.00 0.00 176.35 174.37 43ca n LEU 47 N 1.46 1.42 -4.13 -0.68 4.77 -0.16 -4.78 117.00 114.90 43ca n LEU 47 Ca 0.04 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 56.01 43ca n LEU 47 Cb 0.40 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 43ca n LEU 47 CO 0.61 -0.45 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.06 43ca s VAL 48 N -2.39 1.17 0.31 4.08 1.01 -1.09 0.42 120.40 123.91 43ca s VAL 48 Ca -0.13 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.12 43ca s VAL 48 Cb 0.02 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 43ca s VAL 48 CO 0.20 0.24 0.07 -0.72 0.00 0.00 0.00 175.10 174.89 43ca s TYR 49 N -0.50 1.83 -1.65 5.22 1.13 0.14 -0.97 117.35 122.55 43ca s TYR 49 Ca 0.05 -1.04 -0.16 0.00 -1.41 0.00 0.00 57.07 54.51 43ca s TYR 49 Cb -0.06 -1.16 0.13 0.00 -1.10 0.00 0.00 41.96 39.76 43ca s TYR 49 CO 0.00 -0.11 0.76 1.19 -2.51 0.00 0.00 175.55 174.88 43ca n PHE 50 N -0.63 -1.80 0.00 -3.49 3.72 -0.89 -0.10 117.46 114.27 43ca n PHE 50 Ca -0.02 0.80 0.00 0.00 -0.05 0.00 0.00 57.45 58.19 43ca n PHE 50 Cb 0.66 -3.17 0.00 0.00 -0.94 0.00 0.00 39.48 36.04 43ca n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 43ca n ALA 51 N -4.43 0.00 0.00 4.37 0.00 -0.01 -4.03 120.51 116.42 43ca n ALA 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 43ca n ALA 51 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 43ca n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 43ca n SER 52 N 0.06 0.00 -4.63 0.00 3.41 -0.67 -2.95 113.62 108.84 43ca n SER 52 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 43ca n SER 52 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 43ca n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 43ca s THR 53 N -0.04 3.84 0.63 6.66 2.01 0.86 -4.50 115.64 125.09 43ca s THR 53 Ca 0.00 0.95 -0.16 0.00 0.31 0.00 0.00 61.69 62.79 43ca s THR 53 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 43ca s THR 53 CO 0.00 -0.32 1.12 -0.13 -0.69 0.00 0.00 174.62 174.59 43ca s ARG 54 N 4.45 2.94 0.30 4.92 0.52 -1.26 0.26 118.95 131.08 43ca s ARG 54 Ca 0.67 1.46 -0.04 0.00 -0.52 0.00 0.00 55.73 57.30 43ca s ARG 54 Cb -0.23 -1.96 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 43ca s ARG 54 CO 0.27 -1.15 0.55 -2.00 0.02 0.00 0.00 175.30 172.99 43ca s GLU 55 N -3.87 3.60 0.19 3.54 2.56 0.17 -4.83 118.70 120.05 43ca s GLU 55 Ca 0.69 -0.06 -0.31 0.00 0.00 0.00 0.00 54.97 55.28 43ca s GLU 55 Cb -0.22 -2.65 -0.16 0.00 2.00 0.00 0.00 34.13 33.10 43ca s GLU 55 CO 0.37 0.19 0.92 0.43 -0.56 0.00 0.00 175.26 176.62 43ca n SER 56 N -1.12 0.38 0.00 -1.70 7.64 -1.26 -0.88 113.62 116.67 43ca n SER 56 Ca -0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.01 43ca n SER 56 Cb 0.54 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 43ca n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 43ca n GLY 57 N 1.77 0.54 3.64 0.23 0.00 -1.26 -4.96 105.19 105.15 43ca n GLY 57 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 43ca n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 43ca s VAL 58 N -2.59 4.38 0.35 1.61 1.01 -0.06 -4.97 120.40 120.13 43ca s VAL 58 Ca 0.00 1.60 -0.26 0.00 0.00 0.00 0.00 61.98 63.32 43ca s VAL 58 Cb 0.00 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.94 43ca s VAL 58 CO 0.00 -0.45 0.84 -2.65 0.00 0.00 0.00 175.10 172.84 43ca n PRO 59 N 6.98 1.02 0.21 2.72 -0.02 -1.26 -4.85 135.00 139.80 43ca n PRO 59 Ca 0.13 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 43ca n PRO 59 Cb 0.47 -1.73 0.75 0.00 -0.02 0.00 0.00 33.50 32.97 43ca n PRO 59 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 43ca h ASP 60 N 1.47 0.00 0.41 2.55 5.19 -2.00 -1.52 116.42 122.51 43ca h ASP 60 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 43ca h ASP 60 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 43ca h ASP 60 CO 0.57 0.00 0.00 -2.11 -3.12 0.00 0.00 179.24 174.58 43ca n ARG 61 N -2.47 0.13 -3.43 3.56 1.85 -1.26 -4.54 116.66 110.50 43ca n ARG 61 Ca -0.02 0.18 -0.43 0.00 -1.00 0.00 0.00 57.85 56.58 43ca n ARG 61 Cb 0.04 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.86 43ca n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 43ca s PHE 62 N -2.77 3.22 -0.21 2.89 0.08 -0.58 -1.50 117.98 119.11 43ca s PHE 62 Ca 0.12 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.72 43ca s PHE 62 Cb 0.11 -2.67 0.04 0.00 -0.57 0.00 0.00 43.02 39.93 43ca s PHE 62 CO 0.26 -0.59 -0.14 0.42 -0.10 0.00 0.00 175.22 175.07 43ca s ILE 63 N 1.82 2.01 0.00 0.64 1.01 0.19 -4.96 121.20 121.92 43ca s ILE 63 Ca 0.07 -1.23 -0.18 0.00 0.00 0.00 0.00 60.65 59.32 43ca s ILE 63 Cb -0.18 -1.99 -0.06 0.00 0.01 0.00 0.00 42.46 40.24 43ca s ILE 63 CO 0.11 0.24 0.51 -0.83 0.00 0.00 0.00 174.94 174.98 43ca s GLY 64 N 1.24 2.56 0.29 6.18 0.00 -1.26 -0.79 107.32 115.54 43ca s GLY 64 Ca -0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 44.72 44.54 43ca s GLY 64 CO -0.09 0.49 0.49 -1.35 0.00 0.00 0.00 173.10 172.64 43ca s SER 65 N -0.61 0.27 0.00 1.64 1.04 -0.44 -4.36 113.70 111.25 43ca s SER 65 Ca 0.27 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.54 43ca s SER 65 Cb -0.18 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.57 43ca s SER 65 CO 0.16 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.76 43ca n GLY 66 N -0.45 1.24 3.51 7.32 0.00 -1.26 -1.30 105.19 114.25 43ca n GLY 66 Ca -0.01 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 43ca n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 43ca s SER 67 N 0.00 -0.37 0.00 1.61 1.04 -1.08 -4.94 113.70 109.97 43ca s SER 67 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 43ca s SER 67 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 43ca s SER 67 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 43ca n GLY 68 N -0.26 1.90 0.00 7.32 0.00 -1.26 -3.38 105.19 109.51 43ca n GLY 68 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.72 43ca n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 43ca n THR 69 N 0.00 0.00 -4.00 2.61 -2.24 -1.26 -4.26 114.28 105.12 43ca n THR 69 Ca 0.00 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 43ca n THR 69 Cb 0.00 1.13 -0.15 0.00 -2.10 0.00 0.00 70.33 69.22 43ca n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 43ca s ASP 70 N -0.35 4.25 0.22 3.42 1.01 -1.22 -1.57 116.67 122.44 43ca s ASP 70 Ca 0.00 -1.02 0.10 0.00 0.71 0.00 0.00 52.55 52.33 43ca s ASP 70 Cb 0.00 -1.62 -0.05 0.00 1.01 0.00 0.00 42.92 42.27 43ca s ASP 70 CO 0.00 -0.14 -0.18 -0.36 0.21 0.00 0.00 175.17 174.70 43ca s PHE 71 N 1.25 1.99 -0.08 4.23 0.40 0.01 -2.64 117.98 123.14 43ca s PHE 71 Ca -0.02 -0.45 -0.07 0.00 -0.60 0.00 0.00 56.93 55.79 43ca s PHE 71 Cb -0.17 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.47 43ca s PHE 71 CO -0.05 0.50 0.21 0.99 0.70 0.00 0.00 175.22 177.56 43ca s THR 72 N -2.53 -0.01 -0.17 0.64 2.01 -0.42 -0.48 115.64 114.68 43ca s THR 72 Ca 0.24 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.23 43ca s THR 72 Cb -0.04 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 43ca s THR 72 CO 0.10 0.01 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.76 43ca s LEU 73 N 0.26 3.00 -0.06 4.42 2.96 0.47 -1.32 118.68 128.41 43ca s LEU 73 Ca -0.01 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 43ca s LEU 73 Cb -0.03 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.94 43ca s LEU 73 CO -0.01 0.10 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.07 43ca s THR 74 N 0.77 1.41 -0.33 3.68 2.01 0.03 -1.28 115.64 121.94 43ca s THR 74 Ca -0.02 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 43ca s THR 74 Cb -0.15 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.16 43ca s THR 74 CO 0.02 0.41 0.09 -0.63 -0.69 0.00 0.00 174.62 173.82 43ca s ILE 75 N 0.33 3.67 0.14 1.82 1.01 -0.03 0.56 121.20 128.70 43ca s ILE 75 Ca -0.10 -1.14 -0.25 0.00 0.00 0.00 0.00 60.65 59.16 43ca s ILE 75 Cb -0.14 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 43ca s ILE 75 CO 0.04 -0.15 1.61 0.77 0.00 0.00 0.00 174.94 177.21 43ca h SER 76 N 8.19 -1.02 -2.94 3.58 4.64 -1.52 0.12 113.55 124.60 43ca h SER 76 Ca -0.24 0.16 -0.49 0.00 -0.47 0.00 0.00 61.79 60.75 43ca h SER 76 Cb 1.08 0.44 -0.41 0.00 -0.31 0.00 0.00 62.40 63.21 43ca h SER 76 CO 0.59 -0.35 -0.76 -0.94 -0.87 0.00 0.00 176.83 174.50 43ca s SER 77 N -4.96 2.85 1.25 4.97 1.04 -1.25 -3.46 113.70 114.14 43ca s SER 77 Ca -0.15 -0.90 -0.18 0.00 0.48 0.00 0.00 55.95 55.20 43ca s SER 77 Cb 0.11 -0.29 0.30 0.00 0.10 0.00 0.00 66.02 66.24 43ca s SER 77 CO 0.66 -0.39 1.03 0.68 0.98 0.00 0.00 173.24 176.20 43ca s VAL 78 N 2.12 1.59 0.35 5.02 -7.23 0.70 -4.68 120.40 118.27 43ca s VAL 78 Ca 0.05 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 43ca s VAL 78 Cb -0.16 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 43ca s VAL 78 CO -0.21 0.00 0.42 0.00 -0.31 0.00 0.00 175.10 175.00 43ca n GLN 79 N -5.05 0.60 0.31 4.82 6.02 -1.26 -1.27 117.38 121.56 43ca n GLN 79 Ca 0.10 -3.00 -0.15 0.00 -0.01 0.00 0.00 57.00 53.93 43ca n GLN 79 Cb 0.58 2.72 -0.08 0.00 1.02 0.00 0.00 30.24 34.49 43ca n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 43ca h ALA 80 N 2.05 -0.80 -0.13 -1.58 0.00 -1.99 -3.22 119.26 113.60 43ca h ALA 80 Ca -0.26 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.48 43ca h ALA 80 Cb 1.20 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 43ca h ALA 80 CO 0.36 -0.84 0.43 1.05 0.00 0.00 0.00 179.25 180.25 43ca h GLU 81 N -1.01 0.00 0.00 0.00 4.11 -2.01 -1.37 114.58 114.29 43ca h GLU 81 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 43ca h GLU 81 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 43ca h GLU 81 CO 0.13 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.96 43ca n ASP 82 N -3.07 0.00 -4.63 3.06 8.00 -1.22 -4.76 116.55 113.92 43ca n ASP 82 Ca 0.01 -0.31 -0.43 0.00 0.71 0.00 0.00 54.79 54.78 43ca n ASP 82 Cb 0.51 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 43ca n ASP 82 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 43ca s GLN 83 N -2.33 3.80 0.00 -1.24 0.74 -0.52 -4.87 119.66 115.24 43ca s GLN 83 Ca 0.26 2.01 0.00 0.00 0.05 0.00 0.00 55.36 57.68 43ca s GLN 83 Cb 0.15 -4.12 0.00 0.00 1.10 0.00 0.00 33.01 30.14 43ca s GLN 83 CO 0.30 -1.31 0.00 0.00 -0.55 0.00 0.00 175.29 173.72 43ca n ALA 84 N 8.68 0.00 -2.64 1.58 0.00 -1.12 -4.81 120.51 122.20 43ca n ALA 84 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 43ca n ALA 84 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 43ca n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 43ca s ASP 85 N -0.42 4.65 -0.09 0.00 1.01 -0.65 -0.26 116.67 120.91 43ca s ASP 85 Ca 0.00 -0.04 0.04 0.00 0.71 0.00 0.00 52.55 53.26 43ca s ASP 85 Cb 0.00 -1.25 0.00 0.00 1.01 0.00 0.00 42.92 42.68 43ca s ASP 85 CO 0.00 0.34 -0.22 -0.31 0.21 0.00 0.00 175.17 175.19 43ca s TYR 86 N -0.66 2.33 0.14 4.23 1.51 -0.28 -0.16 117.35 124.47 43ca s TYR 86 Ca 0.10 -0.91 0.08 0.00 -1.01 0.00 0.00 57.07 55.33 43ca s TYR 86 Cb -0.11 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 43ca s TYR 86 CO 0.02 -0.36 -0.19 -0.06 -1.11 0.00 0.00 175.55 173.85 43ca s PHE 87 N 0.33 1.76 0.03 2.71 0.08 -0.47 -0.94 117.98 121.48 43ca s PHE 87 Ca -0.16 -0.46 0.08 0.00 0.12 0.00 0.00 56.93 56.51 43ca s PHE 87 Cb -0.17 -0.91 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 43ca s PHE 87 CO 0.07 0.26 -0.22 0.00 -0.10 0.00 0.00 175.22 175.23 43ca s GLN 89 N -1.08 0.38 0.16 0.00 0.74 -0.54 0.11 119.66 119.43 43ca s GLN 89 Ca 0.09 -0.03 -0.16 0.00 0.05 0.00 0.00 55.36 55.31 43ca s GLN 89 Cb -0.09 -0.46 -0.07 0.00 1.10 0.00 0.00 33.01 33.49 43ca s GLN 89 CO 0.01 -0.04 0.58 1.14 -0.55 0.00 0.00 175.29 176.44 43ca s GLN 90 N 0.57 4.04 -0.03 1.67 1.03 -0.52 -1.22 119.66 125.21 43ca s GLN 90 Ca -0.06 0.57 0.04 0.00 0.04 0.00 0.00 55.36 55.95 43ca s GLN 90 Cb -0.09 -2.94 0.06 0.00 0.03 0.00 0.00 33.01 30.07 43ca s GLN 90 CO -0.01 0.47 1.01 0.72 -2.54 0.00 0.00 175.29 174.94 43ca n HIS 91 N 0.84 0.00 0.03 9.60 8.25 0.37 -4.04 115.22 130.26 43ca n HIS 91 Ca -0.05 -0.57 -0.13 0.00 -0.26 0.00 0.00 57.72 56.71 43ca n HIS 91 Cb 0.52 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.47 43ca n HIS 91 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 43ca h TYR 92 N 0.00 -0.10 -3.03 4.41 3.20 -1.94 -3.48 116.97 116.03 43ca h TYR 92 Ca 0.00 -0.00 -0.41 0.00 3.14 0.00 0.00 58.73 61.46 43ca h TYR 92 Cb 0.64 0.03 -0.14 0.00 1.54 0.00 0.00 36.73 38.80 43ca h TYR 92 CO 0.00 0.35 -0.72 1.03 -1.64 0.00 0.00 178.16 177.18 43ca s ARG 93 N -4.15 1.26 0.01 1.82 1.81 -1.26 -5.11 118.95 113.33 43ca s ARG 93 Ca -0.15 -1.56 -0.22 0.00 -1.72 0.00 0.00 55.73 52.08 43ca s ARG 93 Cb 0.01 -0.96 -0.05 0.00 -0.45 0.00 0.00 34.95 33.50 43ca s ARG 93 CO 0.61 0.14 0.66 0.00 -0.68 0.00 0.00 175.30 176.03 43ca s ALA 94 N -3.09 3.44 0.13 2.13 0.00 -1.26 -2.84 121.76 120.26 43ca s ALA 94 Ca 0.21 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.04 43ca s ALA 94 Cb 0.01 -2.84 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 43ca s ALA 94 CO 0.05 0.13 0.80 -2.14 0.00 0.00 0.00 175.76 174.60 43ca s PRO 95 N -0.14 4.57 -0.99 0.00 0.02 -1.26 -4.91 135.00 132.30 43ca s PRO 95 Ca 0.34 1.17 -0.23 0.00 0.02 0.00 0.00 61.00 62.30 43ca s PRO 95 Cb -0.19 -3.30 -0.13 0.00 0.02 0.00 0.00 34.50 30.89 43ca s PRO 95 CO 0.19 0.45 1.92 0.54 -0.33 0.00 0.00 177.00 179.77 43ca n ARG 96 N 2.07 1.42 -1.78 5.54 5.12 -1.13 -4.71 116.66 123.19 43ca n ARG 96 Ca -0.04 -2.16 -0.36 0.00 -1.93 0.00 0.00 57.85 53.36 43ca n ARG 96 Cb 0.49 -3.42 0.06 0.00 -1.16 0.00 0.00 32.46 28.43 43ca n ARG 96 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 43ca s THR 97 N 9.22 2.36 0.23 0.55 -4.23 -1.26 -4.64 115.64 117.88 43ca s THR 97 Ca 0.66 0.21 0.07 0.00 -1.18 0.00 0.00 61.69 61.44 43ca s THR 97 Cb 0.05 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 43ca s THR 97 CO 0.14 -0.06 0.19 -0.36 -0.54 0.00 0.00 174.62 173.99 43ca s PHE 98 N -1.64 3.14 0.79 3.99 0.40 -1.26 -1.43 117.98 121.96 43ca s PHE 98 Ca 0.78 -0.09 -0.09 0.00 -0.60 0.00 0.00 56.93 56.94 43ca s PHE 98 Cb -0.32 -1.43 0.11 0.00 0.51 0.00 0.00 43.02 41.88 43ca s PHE 98 CO 0.38 0.52 1.12 0.20 0.70 0.00 0.00 175.22 178.14 43ca s GLY 99 N -3.69 1.71 0.34 4.36 0.00 0.30 -4.43 107.32 105.91 43ca s GLY 99 Ca 0.32 -1.08 0.25 0.00 0.00 0.00 0.00 44.72 44.21 43ca s GLY 99 CO 0.25 -0.55 1.70 -1.33 0.00 0.00 0.00 173.10 173.17 43ca h GLY 100 N -0.93 0.00 0.00 0.20 0.00 -1.88 -3.44 103.07 97.03 43ca h GLY 100 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 43ca h GLY 100 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.67 43ca n GLY 101 N 1.11 0.41 2.91 4.60 0.00 -1.25 -5.02 105.19 107.94 43ca n GLY 101 Ca 0.04 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 43ca n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 43ca s THR 102 N -2.92 1.03 -0.45 2.61 2.01 -0.12 -4.55 115.64 113.25 43ca s THR 102 Ca 0.00 -0.29 -0.23 0.00 0.31 0.00 0.00 61.69 61.48 43ca s THR 102 Cb 0.00 -1.05 0.03 0.00 0.01 0.00 0.00 72.50 71.49 43ca s THR 102 CO 0.00 0.37 0.79 -0.75 -0.69 0.00 0.00 174.62 174.34 43ca s LYS 103 N 1.69 3.40 -0.56 4.92 2.20 0.12 -1.12 119.74 130.40 43ca s LYS 103 Ca 0.05 -0.11 -0.22 0.00 -0.36 0.00 0.00 55.97 55.33 43ca s LYS 103 Cb -0.13 -3.94 0.06 0.00 -1.51 0.00 0.00 37.83 32.31 43ca s LYS 103 CO -0.08 -1.13 0.82 -1.17 -0.36 0.00 0.00 175.35 173.42 43ca s LEU 104 N 3.32 4.55 -0.34 5.43 2.96 0.64 -1.63 118.68 133.61 43ca s LEU 104 Ca 0.30 -0.75 -0.24 0.00 -0.22 0.00 0.00 54.13 53.22 43ca s LEU 104 Cb -0.12 -2.58 0.01 0.00 0.50 0.00 0.00 46.19 44.00 43ca s LEU 104 CO 0.23 -1.14 0.84 -1.61 -1.32 0.00 0.00 176.35 173.34 43ca s GLU 105 N 3.42 3.87 -0.32 1.98 0.41 -0.07 -2.79 118.70 125.20 43ca s GLU 105 Ca 0.22 0.52 -0.10 0.00 -0.41 0.00 0.00 54.97 55.20 43ca s GLU 105 Cb -0.17 -3.77 -0.01 0.00 -1.78 0.00 0.00 34.13 28.40 43ca s GLU 105 CO 0.14 -0.82 0.17 0.42 -0.49 0.00 0.00 175.26 174.68 43ca s ILE 106 N 3.18 4.75 -2.01 -1.63 -1.09 -1.26 -0.61 121.20 122.53 43ca s ILE 106 Ca 0.34 -0.37 0.32 0.00 -2.23 0.00 0.00 60.65 58.71 43ca s ILE 106 Cb -0.13 -3.42 0.90 0.00 -1.58 0.00 0.00 42.46 38.23 43ca s ILE 106 CO 0.16 0.06 2.22 0.29 -1.23 0.00 0.00 174.94 176.43