#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b44 s PRO 2 N 0.00 2.93 0.00 0.00 0.04 -1.26 -4.92 135.00 131.78 1b44 s PRO 2 Ca 0.00 2.02 0.14 0.00 0.04 0.00 0.00 61.00 63.21 1b44 s PRO 2 Cb 0.00 -2.03 0.38 0.00 0.04 0.00 0.00 34.50 32.89 1b44 s PRO 2 CO 0.00 -1.29 1.30 0.00 0.04 0.00 0.00 177.00 177.05 1b44 n GLN 3 N -1.46 2.64 -3.73 4.56 -0.00 -1.26 -4.97 117.38 113.15 1b44 n GLN 3 Ca 0.13 -2.15 -0.13 0.00 -0.00 0.00 0.00 57.00 54.85 1b44 n GLN 3 Cb 0.48 -1.35 -0.08 0.00 -0.00 0.00 0.00 30.24 29.28 1b44 n GLN 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1b44 s SER 4 N -1.03 -0.22 0.17 2.61 0.15 -1.26 -5.03 113.70 109.10 1b44 s SER 4 Ca 0.30 0.06 -0.09 0.00 0.70 0.00 0.00 55.95 56.91 1b44 s SER 4 Cb 0.16 0.35 0.05 0.00 -1.71 0.00 0.00 66.02 64.86 1b44 s SER 4 CO 0.21 -0.51 1.60 -0.29 1.20 0.00 0.00 173.24 175.45 1b44 h ILE 5 N 3.59 1.27 0.00 6.45 2.10 -1.96 0.28 117.51 129.24 1b44 h ILE 5 Ca -0.30 -1.26 -0.09 0.00 1.08 0.00 0.00 64.86 64.29 1b44 h ILE 5 Cb 1.18 0.94 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 1b44 h ILE 5 CO 0.42 0.45 -0.42 0.00 -1.08 0.00 0.00 178.15 177.51 1b44 h THR 6 N 0.93 1.12 -0.16 2.19 1.03 -1.98 0.11 112.91 116.15 1b44 h THR 6 Ca 0.15 -1.53 -0.20 0.00 -0.01 0.00 0.00 66.41 64.81 1b44 h THR 6 Cb 0.67 1.87 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 1b44 h THR 6 CO 0.05 0.41 -0.71 -0.33 -0.01 0.00 0.00 175.52 174.93 1b44 h GLU 7 N 0.00 0.70 -0.43 0.00 5.08 -1.85 -2.68 114.58 115.40 1b44 h GLU 7 Ca -0.00 -0.54 -0.13 0.00 -1.00 0.00 0.00 59.36 57.69 1b44 h GLU 7 Cb 0.83 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1b44 h GLU 7 CO 0.05 1.16 -0.24 1.25 -1.00 0.00 0.00 179.01 180.23 1b44 h LEU 8 N 0.49 0.90 -1.71 1.33 6.46 -0.47 -2.71 115.31 119.61 1b44 h LEU 8 Ca -0.03 -0.34 -0.04 0.00 -0.12 0.00 0.00 57.88 57.35 1b44 h LEU 8 Cb 1.32 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 1b44 h LEU 8 CO 0.14 1.10 -0.18 0.00 -0.62 0.00 0.00 178.44 178.88 1b44 h SER 10 N 0.00 0.00 0.01 0.00 0.02 -1.13 -2.96 113.55 109.49 1b44 h SER 10 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b44 h SER 10 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1b44 h SER 10 CO 0.02 0.00 -0.00 -0.62 -1.14 0.00 0.00 176.83 175.09 1b44 n GLU 11 N -2.90 1.17 -4.29 3.45 1.02 -0.61 -4.88 120.64 113.60 1b44 n GLU 11 Ca 0.00 -0.27 -0.21 0.00 -0.02 0.00 0.00 57.16 56.66 1b44 n GLU 11 Cb 0.26 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.07 1b44 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1b44 s TYR 12 N -2.02 1.66 0.15 -0.32 1.51 -1.12 -5.13 117.35 112.07 1b44 s TYR 12 Ca 0.44 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.87 1b44 s TYR 12 Cb 0.22 -0.85 -0.07 0.00 -0.11 0.00 0.00 41.96 41.15 1b44 s TYR 12 CO 0.36 0.25 0.54 -1.01 -1.11 0.00 0.00 175.55 174.58 1b44 s HIS 13 N -1.99 3.60 -0.15 2.71 3.76 -1.26 -4.05 115.29 117.90 1b44 s HIS 13 Ca 0.12 1.03 0.00 0.00 -0.15 0.00 0.00 55.06 56.07 1b44 s HIS 13 Cb -0.06 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.28 1b44 s HIS 13 CO 0.05 0.43 0.00 0.09 -0.85 0.00 0.00 174.74 174.46 1b44 n ASN 14 N 0.77 -4.04 -4.99 1.40 4.13 -1.26 -5.02 115.26 106.25 1b44 n ASN 14 Ca -0.05 0.04 -0.19 0.00 1.68 0.00 0.00 54.58 56.06 1b44 n ASN 14 Cb 0.52 -1.67 0.00 0.00 -1.54 0.00 0.00 39.78 37.09 1b44 n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1b44 s THR 15 N -1.76 3.74 -0.25 3.41 -4.23 -1.26 -1.21 115.64 114.09 1b44 s THR 15 Ca 0.00 -0.95 -0.26 0.00 -1.18 0.00 0.00 61.69 59.30 1b44 s THR 15 Cb 0.00 -3.30 0.11 0.00 1.34 0.00 0.00 72.50 70.65 1b44 s THR 15 CO 0.00 -0.12 0.92 -1.58 -0.54 0.00 0.00 174.62 173.30 1b44 s GLN 16 N -4.27 0.64 -0.07 3.99 0.74 0.36 -4.84 119.66 116.22 1b44 s GLN 16 Ca 0.48 0.62 -0.21 0.00 0.05 0.00 0.00 55.36 56.31 1b44 s GLN 16 Cb -0.10 0.31 -0.04 0.00 1.10 0.00 0.00 33.01 34.28 1b44 s GLN 16 CO 0.32 -0.11 0.59 0.42 -0.55 0.00 0.00 175.29 175.96 1b44 s ILE 17 N -0.00 5.06 -0.26 -2.34 -1.09 -1.26 -1.56 121.20 119.75 1b44 s ILE 17 Ca 0.01 1.20 0.02 0.00 -2.23 0.00 0.00 60.65 59.66 1b44 s ILE 17 Cb -0.04 -3.93 0.06 0.00 -1.58 0.00 0.00 42.46 36.97 1b44 s ILE 17 CO -0.02 0.33 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.62 1b44 s TYR 18 N 0.43 3.06 -0.67 3.97 1.51 -0.47 -4.96 117.35 120.22 1b44 s TYR 18 Ca 0.31 -2.20 -0.27 0.00 -1.01 0.00 0.00 57.07 53.90 1b44 s TYR 18 Cb -0.17 -1.86 0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1b44 s TYR 18 CO 0.15 -0.86 1.47 0.99 -1.11 0.00 0.00 175.55 176.20 1b44 s THR 19 N 1.17 3.63 -0.07 -0.71 2.01 -1.26 -1.55 115.64 118.85 1b44 s THR 19 Ca -0.08 0.40 -0.15 0.00 0.31 0.00 0.00 61.69 62.18 1b44 s THR 19 Cb -0.20 -4.54 -0.11 0.00 0.01 0.00 0.00 72.50 67.66 1b44 s THR 19 CO -0.05 -1.45 0.57 0.40 -0.69 0.00 0.00 174.62 173.40 1b44 h ILE 20 N 6.35 0.56 -6.68 1.82 1.08 -0.79 -3.48 117.51 116.37 1b44 h ILE 20 Ca -0.27 -1.14 -0.54 0.00 -0.39 0.00 0.00 64.86 62.52 1b44 h ILE 20 Cb 1.09 0.99 -0.14 0.00 -3.07 0.00 0.00 36.82 35.70 1b44 h ILE 20 CO 1.24 0.16 -0.88 -3.20 -0.69 0.00 0.00 178.15 174.79 1b44 n ASN 21 N -4.89 -1.26 -3.43 1.72 5.15 0.26 -4.93 115.26 107.87 1b44 n ASN 21 Ca -0.06 -1.05 -0.12 0.00 -0.60 0.00 0.00 54.58 52.75 1b44 n ASN 21 Cb 0.21 -2.72 -0.02 0.00 -0.53 0.00 0.00 39.78 36.71 1b44 n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1b44 s ASP 22 N -3.96 -0.57 0.57 1.20 2.15 -0.73 -4.93 116.67 110.40 1b44 s ASP 22 Ca 0.29 0.05 -0.11 0.00 0.43 0.00 0.00 52.55 53.20 1b44 s ASP 22 Cb -0.16 0.59 -0.05 0.00 -0.30 0.00 0.00 42.92 43.00 1b44 s ASP 22 CO 0.92 -0.94 0.98 -1.59 -0.17 0.00 0.00 175.17 174.37 1b44 s LYS 23 N -3.56 3.68 0.23 4.34 -2.85 -1.26 -1.40 119.74 118.91 1b44 s LYS 23 Ca 0.00 0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 55.39 1b44 s LYS 23 Cb -0.01 -2.14 -0.09 0.00 -2.06 0.00 0.00 37.83 33.53 1b44 s LYS 23 CO -0.11 -0.43 1.30 0.42 0.10 0.00 0.00 175.35 176.63 1b44 s ILE 24 N -2.96 3.12 -0.14 3.79 1.01 -1.26 -4.74 121.20 120.01 1b44 s ILE 24 Ca 0.55 0.96 -0.21 0.00 0.00 0.00 0.00 60.65 61.95 1b44 s ILE 24 Cb -0.11 -3.61 -0.25 0.00 0.01 0.00 0.00 42.46 38.50 1b44 s ILE 24 CO 0.47 0.16 0.51 0.25 0.00 0.00 0.00 174.94 176.33 1b44 h LEU 25 N 4.96 0.18 -7.64 2.97 5.85 -0.79 -3.48 115.31 117.37 1b44 h LEU 25 Ca -0.46 -0.78 -0.23 0.00 0.84 0.00 0.00 57.88 57.24 1b44 h LEU 25 Cb 1.22 -0.06 -0.29 0.00 0.37 0.00 0.00 40.66 41.90 1b44 h LEU 25 CO 0.75 1.43 -0.67 -0.94 -0.34 0.00 0.00 178.44 178.67 1b44 s SER 26 N -6.79 -0.03 -0.21 1.25 1.04 -0.93 -4.97 113.70 103.05 1b44 s SER 26 Ca -0.22 0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.26 1b44 s SER 26 Cb 0.03 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 1b44 s SER 26 CO 0.70 -0.05 -0.03 -0.47 0.98 0.00 0.00 173.24 174.37 1b44 s TYR 27 N 0.31 2.98 -0.11 5.02 5.04 -1.26 -2.20 117.35 127.12 1b44 s TYR 27 Ca -0.02 -0.78 0.03 0.00 -2.44 0.00 0.00 57.07 53.86 1b44 s TYR 27 Cb -0.03 -2.10 0.01 0.00 0.35 0.00 0.00 41.96 40.18 1b44 s TYR 27 CO -0.01 -0.45 -0.21 0.99 -1.34 0.00 0.00 175.55 174.53 1b44 s THR 28 N 1.34 1.92 -0.05 4.34 2.01 -0.03 -4.99 115.64 120.17 1b44 s THR 28 Ca 0.04 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1b44 s THR 28 Cb -0.14 -1.68 0.02 0.00 0.01 0.00 0.00 72.50 70.70 1b44 s THR 28 CO -0.01 0.53 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.67 1b44 s GLU 29 N 0.61 1.14 -0.04 4.92 2.12 -1.26 -0.64 118.70 125.54 1b44 s GLU 29 Ca -0.13 -0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.01 1b44 s GLU 29 Cb -0.17 -1.03 -0.01 0.00 0.26 0.00 0.00 34.13 33.19 1b44 s GLU 29 CO 0.03 -0.01 -0.19 0.45 -0.54 0.00 0.00 175.26 175.00 1b44 s SER 30 N 0.71 2.35 0.00 -1.70 0.15 -0.61 -4.98 113.70 109.63 1b44 s SER 30 Ca -0.12 -0.38 0.06 0.00 0.70 0.00 0.00 55.95 56.21 1b44 s SER 30 Cb -0.14 -0.59 0.12 0.00 -1.71 0.00 0.00 66.02 63.70 1b44 s SER 30 CO 0.02 0.18 0.96 1.15 1.20 0.00 0.00 173.24 176.75 1b44 n MET 31 N 3.02 1.71 -1.80 5.44 0.00 -1.26 -2.60 117.12 121.62 1b44 n MET 31 Ca -0.17 -1.43 -0.40 0.00 0.00 0.00 0.00 57.70 55.70 1b44 n MET 31 Cb 0.53 -1.14 0.02 0.00 0.00 0.00 0.00 33.22 32.63 1b44 n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1b44 s ALA 32 N -0.80 3.19 0.18 3.17 0.00 -1.26 -4.81 121.76 121.42 1b44 s ALA 32 Ca 0.10 1.44 -0.33 0.00 0.00 0.00 0.00 51.96 53.18 1b44 s ALA 32 Cb 0.06 -3.58 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 1b44 s ALA 32 CO 0.08 -1.21 1.27 0.41 0.00 0.00 0.00 175.76 176.31 1b44 n GLY 33 N 0.60 0.34 3.99 0.00 0.00 -1.26 -1.46 105.19 107.39 1b44 n GLY 33 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1b44 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b44 n LYS 34 N 2.01 0.00 -2.59 1.61 4.76 -1.26 -4.73 118.16 117.96 1b44 n LYS 34 Ca 0.15 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.49 1b44 n LYS 34 Cb 0.26 -4.14 0.03 0.00 -1.84 0.00 0.00 35.03 29.34 1b44 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1b44 n ARG 35 N -2.00 2.17 -2.66 1.97 5.12 -0.53 -5.00 116.66 115.74 1b44 n ARG 35 Ca 0.00 -3.69 -0.42 0.00 -1.93 0.00 0.00 57.85 51.81 1b44 n ARG 35 Cb 0.00 -1.74 -0.03 0.00 -1.16 0.00 0.00 32.46 29.53 1b44 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1b44 s GLU 36 N -3.59 3.16 0.25 5.56 8.01 -1.15 -4.37 118.70 126.58 1b44 s GLU 36 Ca 0.34 -0.44 -0.07 0.00 0.01 0.00 0.00 54.97 54.80 1b44 s GLU 36 Cb 0.38 -4.19 0.03 0.00 -4.31 0.00 0.00 34.13 26.03 1b44 s GLU 36 CO -0.02 -2.03 0.46 0.00 0.01 0.00 0.00 175.26 173.69 1b44 n MET 37 N 8.78 0.67 -4.18 1.61 0.00 -1.07 -4.06 117.12 118.87 1b44 n MET 37 Ca 0.01 -1.56 -0.16 0.00 0.00 0.00 0.00 57.70 55.99 1b44 n MET 37 Cb 0.48 1.80 -0.15 0.00 0.00 0.00 0.00 33.22 35.36 1b44 n MET 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1b44 s VAL 38 N -2.49 0.44 -0.11 3.17 1.01 -1.24 -1.57 120.40 119.62 1b44 s VAL 38 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1b44 s VAL 38 Cb -0.03 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.99 1b44 s VAL 38 CO 0.09 0.13 -0.09 -0.63 0.00 0.00 0.00 175.10 174.60 1b44 s ILE 39 N -0.05 1.13 -0.02 2.22 1.01 0.19 -1.60 121.20 124.07 1b44 s ILE 39 Ca 0.01 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.36 1b44 s ILE 39 Cb -0.03 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 1b44 s ILE 39 CO -0.00 0.38 -0.20 0.27 0.00 0.00 0.00 174.94 175.38 1b44 s ILE 40 N 1.52 2.54 0.14 2.92 -4.36 -0.28 -0.85 121.20 122.83 1b44 s ILE 40 Ca 0.02 -1.00 0.05 0.00 -0.26 0.00 0.00 60.65 59.46 1b44 s ILE 40 Cb -0.13 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 1b44 s ILE 40 CO -0.07 0.53 -0.11 0.42 0.24 0.00 0.00 174.94 175.96 1b44 s THR 41 N -0.72 1.20 0.29 8.37 -4.23 -0.93 -0.70 115.64 118.92 1b44 s THR 41 Ca 0.11 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.73 1b44 s THR 41 Cb -0.10 -1.76 -0.06 0.00 1.34 0.00 0.00 72.50 71.92 1b44 s THR 41 CO 0.01 -0.67 -0.09 -0.36 -0.54 0.00 0.00 174.62 172.96 1b44 s PHE 42 N -3.04 2.06 -0.09 3.99 0.40 -0.74 -0.03 117.98 120.54 1b44 s PHE 42 Ca 0.15 -0.60 0.26 0.00 -0.60 0.00 0.00 56.93 56.14 1b44 s PHE 42 Cb 0.01 -1.13 1.36 0.00 0.51 0.00 0.00 43.02 43.77 1b44 s PHE 42 CO 0.01 0.40 1.81 1.57 0.70 0.00 0.00 175.22 179.71 1b44 h LYS 43 N 2.25 0.00 0.00 0.44 2.10 -1.90 -0.70 116.57 118.76 1b44 h LYS 43 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1b44 h LYS 43 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1b44 h LYS 43 CO 0.67 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.78 1b44 h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.98 -3.46 113.55 119.83 1b44 h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b44 h SER 44 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1b44 h SER 44 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1b44 n GLY 45 N 0.06 3.02 3.72 -0.77 0.00 -0.27 -5.06 105.19 105.88 1b44 n GLY 45 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1b44 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b44 n ALA 46 N -1.34 2.31 -2.88 4.61 0.00 -1.26 -4.79 120.51 117.16 1b44 n ALA 46 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.56 1b44 n ALA 46 Cb 0.00 -2.45 -0.16 0.00 0.00 0.00 0.00 19.45 16.84 1b44 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1b44 s THR 47 N 0.54 1.59 0.17 0.00 2.01 -1.26 -1.78 115.64 116.91 1b44 s THR 47 Ca 0.71 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.92 1b44 s THR 47 Cb -0.54 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1b44 s THR 47 CO 0.41 0.45 0.00 -0.36 -0.69 0.00 0.00 174.62 174.44 1b44 s PHE 48 N 0.00 1.18 0.12 4.92 0.08 0.13 -3.84 117.98 120.56 1b44 s PHE 48 Ca -0.04 -1.03 -0.04 0.00 0.12 0.00 0.00 56.93 55.94 1b44 s PHE 48 Cb -0.12 -0.67 -0.03 0.00 -0.57 0.00 0.00 43.02 41.63 1b44 s PHE 48 CO 0.03 -0.23 0.11 1.14 -0.10 0.00 0.00 175.22 176.17 1b44 s GLN 49 N -3.92 0.91 -0.61 0.44 -2.07 -0.75 -1.12 119.66 112.54 1b44 s GLN 49 Ca 0.24 -1.27 0.04 0.00 -1.82 0.00 0.00 55.36 52.55 1b44 s GLN 49 Cb 0.06 0.28 0.15 0.00 -1.09 0.00 0.00 33.01 32.41 1b44 s GLN 49 CO 0.03 -0.27 0.38 0.08 -1.32 0.00 0.00 175.29 174.19 1b44 s VAL 50 N -3.98 2.80 0.67 3.63 1.01 -0.63 -0.71 120.40 123.20 1b44 s VAL 50 Ca 0.17 -3.76 -0.17 0.00 0.00 0.00 0.00 61.98 58.21 1b44 s VAL 50 Cb 0.06 -2.88 -0.10 0.00 0.00 0.00 0.00 36.38 33.45 1b44 s VAL 50 CO -0.03 -0.90 0.05 -1.84 0.00 0.00 0.00 175.10 172.39 1b44 n GLU 51 N 2.59 0.15 -1.98 2.72 0.28 -1.26 -3.70 120.64 119.44 1b44 n GLU 51 Ca 0.12 0.07 -0.41 0.00 -0.16 0.00 0.00 57.16 56.78 1b44 n GLU 51 Cb 0.34 -1.36 -0.02 0.00 1.43 0.00 0.00 31.44 31.82 1b44 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1b44 s VAL 52 N -1.94 2.56 -0.69 3.84 1.01 -1.26 -4.85 120.40 119.07 1b44 s VAL 52 Ca 0.58 0.48 -0.23 0.00 0.00 0.00 0.00 61.98 62.81 1b44 s VAL 52 Cb -0.39 -3.31 -0.18 0.00 0.00 0.00 0.00 36.38 32.51 1b44 s VAL 52 CO 0.65 0.08 1.89 -2.65 0.00 0.00 0.00 175.10 175.07 1b44 n PRO 53 N 2.12 1.31 -3.80 2.72 -0.02 -1.26 -4.81 135.00 131.27 1b44 n PRO 53 Ca 0.06 -1.76 -0.33 0.00 -2.02 0.00 0.00 63.50 59.45 1b44 n PRO 53 Cb 0.40 -2.89 -0.11 0.00 -0.02 0.00 0.00 33.50 30.88 1b44 n PRO 53 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1b44 s GLY 54 N 5.30 2.68 -0.45 -1.23 0.00 -1.26 -4.86 107.32 107.50 1b44 s GLY 54 Ca 0.59 -3.49 -0.01 0.00 0.00 0.00 0.00 44.72 41.81 1b44 s GLY 54 CO 0.15 1.09 0.41 1.44 0.00 0.00 0.00 173.10 176.19 1b44 n SER 55 N 2.88 -4.68 0.00 1.64 7.64 -1.26 -4.99 113.62 114.86 1b44 n SER 55 Ca 0.12 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1b44 n SER 55 Cb 0.36 -3.06 0.00 0.00 -1.01 0.00 0.00 64.21 60.50 1b44 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b44 n GLN 56 N -1.87 0.00 -3.73 1.43 1.13 -1.26 -5.17 117.38 107.92 1b44 n GLN 56 Ca -0.02 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.92 1b44 n GLN 56 Cb 0.53 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.75 1b44 n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1b44 s HIS 57 N 0.00 -0.32 1.03 1.08 3.76 -1.26 -5.13 115.29 114.45 1b44 s HIS 57 Ca 0.00 0.77 -0.11 0.00 -0.15 0.00 0.00 55.06 55.57 1b44 s HIS 57 Cb 0.00 0.04 0.21 0.00 1.11 0.00 0.00 32.58 33.95 1b44 s HIS 57 CO 0.00 -0.23 1.09 0.42 -0.85 0.00 0.00 174.74 175.17 1b44 s ILE 58 N 1.23 2.09 0.36 0.60 1.01 -1.26 -4.84 121.20 120.39 1b44 s ILE 58 Ca -0.09 0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.65 1b44 s ILE 58 Cb -0.10 -2.09 0.17 0.00 0.01 0.00 0.00 42.46 40.44 1b44 s ILE 58 CO -0.08 -0.04 1.90 0.44 0.00 0.00 0.00 174.94 177.16 1b44 h ASP 59 N -2.22 0.40 0.19 3.58 5.19 -2.02 -1.86 116.42 119.68 1b44 h ASP 59 Ca -0.52 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 55.79 1b44 h ASP 59 Cb 1.30 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1b44 h ASP 59 CO 0.46 0.48 -0.13 -1.28 -3.12 0.00 0.00 179.24 175.66 1b44 h SER 60 N 0.41 0.00 1.45 6.45 0.87 -2.05 -2.60 113.55 118.08 1b44 h SER 60 Ca 0.09 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1b44 h SER 60 Cb 0.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1b44 h SER 60 CO 0.01 0.13 -0.56 1.56 -0.53 0.00 0.00 176.83 177.44 1b44 h GLN 61 N 0.00 0.00 -0.63 2.24 4.20 -1.68 -3.37 115.11 115.87 1b44 h GLN 61 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1b44 h GLN 61 Cb 0.26 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.93 1b44 h GLN 61 CO 0.02 0.29 -0.50 0.87 -0.67 0.00 0.00 178.83 178.83 1b44 h LYS 62 N 0.00 -0.22 -0.08 1.46 6.56 -1.30 0.89 116.57 123.89 1b44 h LYS 62 Ca -0.03 0.01 -0.20 0.00 -1.06 0.00 0.00 60.65 59.38 1b44 h LYS 62 Cb 1.28 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.98 1b44 h LYS 62 CO 0.04 -0.14 -0.77 0.87 -2.06 0.00 0.00 179.45 177.39 1b44 h LYS 63 N -0.22 0.46 0.00 3.15 1.57 -1.77 -3.10 116.57 116.65 1b44 h LYS 63 Ca 0.15 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1b44 h LYS 63 Cb 0.55 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1b44 h LYS 63 CO -0.73 1.03 -0.03 0.00 -0.57 0.00 0.00 179.45 179.15 1b44 h ALA 64 N 0.85 1.80 -0.02 3.86 0.00 -1.50 0.16 119.26 124.41 1b44 h ALA 64 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1b44 h ALA 64 Cb 1.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1b44 h ALA 64 CO 0.14 0.04 -0.07 0.82 0.00 0.00 0.00 179.25 180.17 1b44 h ILE 65 N 0.00 1.48 -0.90 0.00 2.04 -0.78 -1.75 117.51 117.60 1b44 h ILE 65 Ca -0.00 -1.51 -0.00 0.00 1.00 0.00 0.00 64.86 64.35 1b44 h ILE 65 Cb 0.06 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1b44 h ILE 65 CO 0.00 0.40 0.55 -0.33 0.00 0.00 0.00 178.15 178.78 1b44 h GLU 66 N -0.49 1.21 -0.54 2.37 4.39 -1.31 -1.99 114.58 118.21 1b44 h GLU 66 Ca -0.00 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1b44 h GLU 66 Cb 0.69 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1b44 h GLU 66 CO 0.02 0.84 0.25 -0.09 -1.16 0.00 0.00 179.01 178.86 1b44 h ARG 67 N 1.23 0.79 -0.38 2.33 2.43 -0.71 -1.18 114.38 118.89 1b44 h ARG 67 Ca 0.32 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1b44 h ARG 67 Cb -0.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1b44 h ARG 67 CO -0.06 0.66 0.24 1.98 -1.51 0.00 0.00 179.97 181.27 1b44 h MET 68 N 0.73 0.47 -0.05 0.20 4.05 -0.67 0.62 114.93 120.28 1b44 h MET 68 Ca 0.18 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.51 1b44 h MET 68 Cb 0.14 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1b44 h MET 68 CO -0.02 0.31 -0.29 0.87 0.23 0.00 0.00 176.91 178.01 1b44 h LYS 69 N 0.49 0.08 0.05 0.39 1.57 -1.15 0.42 116.57 118.42 1b44 h LYS 69 Ca 0.14 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1b44 h LYS 69 Cb -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1b44 h LYS 69 CO -0.05 0.37 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.73 1b44 h ASP 70 N 0.07 -0.06 -0.43 0.86 3.32 -0.41 -1.98 116.42 117.79 1b44 h ASP 70 Ca 0.01 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 56.85 1b44 h ASP 70 Cb 0.55 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 1b44 h ASP 70 CO 0.04 0.23 0.15 0.74 -1.72 0.00 0.00 179.24 178.68 1b44 h THR 71 N -0.35 0.86 -0.83 0.35 2.02 -0.31 -1.36 112.91 113.29 1b44 h THR 71 Ca -0.01 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1b44 h THR 71 Cb 0.32 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1b44 h THR 71 CO 0.01 0.06 0.39 -0.07 0.37 0.00 0.00 175.52 176.28 1b44 h LEU 72 N 0.32 1.09 0.21 2.58 3.38 -0.89 0.11 115.31 122.11 1b44 h LEU 72 Ca 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1b44 h LEU 72 Cb 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1b44 h LEU 72 CO -0.21 0.93 -0.10 -0.09 0.09 0.00 0.00 178.44 179.06 1b44 h ARG 73 N 1.19 -0.27 -0.47 1.13 2.43 -0.54 -1.53 114.38 116.31 1b44 h ARG 73 Ca 0.28 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.40 1b44 h ARG 73 Cb 0.13 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1b44 h ARG 73 CO -0.03 -0.07 -0.02 0.97 -1.51 0.00 0.00 179.97 179.30 1b44 h ILE 74 N -0.43 1.25 -0.81 1.20 6.09 -1.12 -1.08 117.51 122.62 1b44 h ILE 74 Ca -0.03 -1.04 -0.01 0.00 -1.37 0.00 0.00 64.86 62.41 1b44 h ILE 74 Cb 0.33 0.91 -0.04 0.00 0.47 0.00 0.00 36.82 38.48 1b44 h ILE 74 CO 0.05 0.36 0.45 0.74 -3.07 0.00 0.00 178.15 176.69 1b44 h THR 75 N 0.74 1.23 0.37 2.19 2.02 -0.68 -0.45 112.91 118.33 1b44 h THR 75 Ca 0.14 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1b44 h THR 75 Cb 0.48 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1b44 h THR 75 CO 0.02 0.26 -0.18 0.22 0.37 0.00 0.00 175.52 176.22 1b44 h TYR 76 N 1.13 -0.46 -0.86 3.16 3.20 -0.70 -0.96 116.97 121.47 1b44 h TYR 76 Ca 0.29 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.23 1b44 h TYR 76 Cb 0.01 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 1b44 h TYR 76 CO 0.01 -0.13 0.56 -0.07 -1.64 0.00 0.00 178.16 176.89 1b44 h LEU 77 N -0.84 0.80 -0.71 2.82 3.38 -0.99 -0.19 115.31 119.59 1b44 h LEU 77 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1b44 h LEU 77 Cb 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1b44 h LEU 77 CO 0.08 0.49 -0.02 0.35 0.09 0.00 0.00 178.44 179.44 1b44 n THR 78 N -4.51 0.00 -2.39 0.22 -2.24 -0.20 -4.92 114.28 100.25 1b44 n THR 78 Ca 0.14 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.56 1b44 n THR 78 Cb 0.27 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1b44 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b44 n GLU 79 N -0.16 -1.90 -2.26 -0.78 1.02 -0.08 -4.93 120.64 111.55 1b44 n GLU 79 Ca 0.19 0.84 -0.40 0.00 -0.02 0.00 0.00 57.16 57.77 1b44 n GLU 79 Cb 0.30 -5.47 -0.03 0.00 -0.02 0.00 0.00 31.44 26.22 1b44 n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1b44 s THR 80 N -2.85 3.02 -0.16 2.62 2.01 -0.44 -4.84 115.64 115.00 1b44 s THR 80 Ca 0.00 1.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.73 1b44 s THR 80 Cb 0.00 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1b44 s THR 80 CO 0.00 0.23 0.97 -0.75 -0.69 0.00 0.00 174.62 174.38 1b44 s LYS 81 N -1.71 4.33 -0.04 4.92 2.20 -1.26 -4.31 119.74 123.87 1b44 s LYS 81 Ca 0.48 1.28 -0.21 0.00 -0.36 0.00 0.00 55.97 57.16 1b44 s LYS 81 Cb -0.36 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1b44 s LYS 81 CO 0.48 -0.42 0.61 0.42 -0.36 0.00 0.00 175.35 176.07 1b44 s ILE 82 N 2.44 4.99 0.00 5.43 1.01 -0.49 -4.35 121.20 130.23 1b44 s ILE 82 Ca 0.44 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1b44 s ILE 82 Cb -0.17 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1b44 s ILE 82 CO 0.13 0.36 0.00 -0.67 0.00 0.00 0.00 174.94 174.75 1b44 n ASP 83 N 3.17 0.00 -4.47 3.58 2.03 0.06 -0.58 116.55 120.34 1b44 n ASP 83 Ca -0.05 0.31 -0.23 0.00 0.52 0.00 0.00 54.79 55.34 1b44 n ASP 83 Cb 0.51 -0.35 -0.11 0.00 -0.72 0.00 0.00 41.12 40.46 1b44 n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1b44 s LYS 84 N -0.70 1.67 -0.07 -0.67 1.02 -1.14 -0.15 119.74 119.70 1b44 s LYS 84 Ca 0.00 -1.90 -0.03 0.00 0.02 0.00 0.00 55.97 54.07 1b44 s LYS 84 Cb 0.00 -1.15 0.04 0.00 -0.52 0.00 0.00 37.83 36.21 1b44 s LYS 84 CO 0.00 -0.06 0.12 -0.51 -0.92 0.00 0.00 175.35 173.98 1b44 s LEU 85 N -3.51 0.02 -0.40 3.17 1.43 -0.60 -2.11 118.68 116.69 1b44 s LEU 85 Ca 0.33 0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 53.42 1b44 s LEU 85 Cb 0.07 0.10 0.01 0.00 0.03 0.00 0.00 46.19 46.40 1b44 s LEU 85 CO 0.14 -0.25 0.59 0.00 0.23 0.00 0.00 176.35 177.06 1b44 s VAL 87 N 2.62 1.40 -0.44 0.00 -7.23 -0.60 0.19 120.40 116.34 1b44 s VAL 87 Ca 0.21 -1.85 -0.24 0.00 -1.81 0.00 0.00 61.98 58.30 1b44 s VAL 87 Cb -0.15 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.15 1b44 s VAL 87 CO 0.16 -0.48 0.81 0.26 -0.31 0.00 0.00 175.10 175.54 1b44 s TRP 88 N -2.41 3.00 -1.78 2.82 0.51 0.58 -0.48 118.94 121.17 1b44 s TRP 88 Ca 0.12 0.27 0.31 0.00 -2.12 0.00 0.00 56.10 54.69 1b44 s TRP 88 Cb -0.03 -3.67 1.68 0.00 -0.81 0.00 0.00 33.47 30.63 1b44 s TRP 88 CO 0.03 -0.96 2.12 0.27 -0.51 0.00 0.00 176.95 177.90 1b44 n ASN 89 N 6.75 0.10 -0.74 2.95 0.23 -0.35 -2.50 115.26 121.70 1b44 n ASN 89 Ca 0.03 -0.67 0.03 0.00 -0.53 0.00 0.00 54.58 53.44 1b44 n ASN 89 Cb 0.48 -0.11 0.12 0.00 -2.08 0.00 0.00 39.78 38.20 1b44 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1b44 n ASN 90 N -1.06 2.04 -4.17 0.53 6.94 -1.26 -4.84 115.26 113.44 1b44 n ASN 90 Ca 0.19 -2.18 -0.14 0.00 -0.02 0.00 0.00 54.58 52.44 1b44 n ASN 90 Cb 0.18 -0.39 -0.11 0.00 -2.36 0.00 0.00 39.78 37.10 1b44 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1b44 s LYS 91 N -1.62 0.83 -0.15 -3.83 -0.14 -1.23 -5.09 119.74 108.51 1b44 s LYS 91 Ca 0.17 -1.17 -0.00 0.00 -1.36 0.00 0.00 55.97 53.62 1b44 s LYS 91 Cb 0.12 -0.48 0.03 0.00 -1.68 0.00 0.00 37.83 35.82 1b44 s LYS 91 CO 0.08 0.07 -0.07 0.99 -0.76 0.00 0.00 175.35 175.66 1b44 s THR 92 N -2.55 1.14 1.04 2.17 2.01 -1.26 -2.61 115.64 115.59 1b44 s THR 92 Ca 0.06 -0.52 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 1b44 s THR 92 Cb -0.02 -1.23 0.23 0.00 0.01 0.00 0.00 72.50 71.48 1b44 s THR 92 CO -0.01 0.24 1.24 -2.16 -0.69 0.00 0.00 174.62 173.25 1b44 s PRO 93 N 1.64 0.02 0.05 4.92 0.04 -1.26 -5.05 135.00 135.37 1b44 s PRO 93 Ca 0.03 -0.25 -0.32 0.00 0.04 0.00 0.00 61.00 60.49 1b44 s PRO 93 Cb -0.14 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1b44 s PRO 93 CO -0.08 -2.85 1.83 0.09 0.04 0.00 0.00 177.00 176.03 1b44 n ASN 94 N -4.11 3.75 -4.74 6.66 5.03 -1.07 -4.62 115.26 116.16 1b44 n ASN 94 Ca 0.14 0.98 -0.41 0.00 0.87 0.00 0.00 54.58 56.16 1b44 n ASN 94 Cb 0.59 -1.47 -0.04 0.00 -1.02 0.00 0.00 39.78 37.84 1b44 n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1b44 s SER 95 N 3.12 7.39 0.04 6.41 0.15 -1.04 -1.81 113.70 127.96 1b44 s SER 95 Ca 0.86 1.97 -0.30 0.00 0.70 0.00 0.00 55.95 59.18 1b44 s SER 95 Cb -0.57 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.10 1b44 s SER 95 CO 0.42 -0.12 0.98 -0.63 1.20 0.00 0.00 173.24 175.10 1b44 s ILE 96 N -0.28 4.71 -0.09 6.45 1.01 0.12 -0.31 121.20 132.81 1b44 s ILE 96 Ca 0.47 2.03 0.04 0.00 0.00 0.00 0.00 60.65 63.20 1b44 s ILE 96 Cb -0.27 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 1b44 s ILE 96 CO 0.33 0.21 -0.03 0.00 0.00 0.00 0.00 174.94 175.45 1b44 n ALA 97 N 3.54 1.79 -3.21 9.38 0.00 0.13 -4.90 120.51 127.25 1b44 n ALA 97 Ca 0.05 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1b44 n ALA 97 Cb 0.50 0.16 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 1b44 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b44 s ALA 98 N -2.20 -1.01 -0.05 0.00 0.00 -0.51 -4.97 121.76 113.01 1b44 s ALA 98 Ca -0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.73 1b44 s ALA 98 Cb 0.03 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1b44 s ALA 98 CO 0.29 -0.74 0.19 -1.50 0.00 0.00 0.00 175.76 174.00 1b44 s ILE 99 N -3.83 0.02 0.03 0.00 2.07 -1.26 -1.46 121.20 116.76 1b44 s ILE 99 Ca 0.06 -0.17 0.04 0.00 -1.41 0.00 0.00 60.65 59.17 1b44 s ILE 99 Cb 0.00 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 1b44 s ILE 99 CO -0.07 -0.10 -0.12 -0.94 -1.91 0.00 0.00 174.94 171.81 1b44 s SER 100 N -0.29 1.35 -0.03 4.50 1.04 -0.90 -5.01 113.70 114.36 1b44 s SER 100 Ca -0.04 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 55.99 1b44 s SER 100 Cb -0.03 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.03 1b44 s SER 100 CO 0.01 0.00 -0.03 -0.04 0.98 0.00 0.00 173.24 174.16 1b44 s MET 101 N -1.02 0.53 -0.03 4.02 -1.94 -1.26 -0.76 119.30 118.85 1b44 s MET 101 Ca -0.00 -0.05 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 1b44 s MET 101 Cb -0.07 -0.60 -0.02 0.00 2.01 0.00 0.00 34.83 36.15 1b44 s MET 101 CO 0.01 -0.06 -0.25 -2.00 -0.01 0.00 0.00 175.02 172.71 1b44 s GLU 102 N 0.73 2.10 -0.79 2.03 2.12 -1.26 -4.90 118.70 118.72 1b44 s GLU 102 Ca -0.08 -0.88 0.03 0.00 0.36 0.00 0.00 54.97 54.39 1b44 s GLU 102 Cb -0.12 -1.98 0.27 0.00 0.26 0.00 0.00 34.13 32.56 1b44 s GLU 102 CO -0.01 0.50 0.98 1.63 -0.54 0.00 0.00 175.26 177.83 1b44 n LYS 103 N 2.57 3.15 -1.72 4.30 5.02 -1.26 -4.90 118.16 125.32 1b44 n LYS 103 Ca -0.16 -4.63 -0.35 0.00 -2.02 0.00 0.00 58.31 51.14 1b44 n LYS 103 Cb 0.52 -2.35 0.06 0.00 -0.02 0.00 0.00 35.03 33.24 1b44 n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1b44 s LEU 104 N -2.53 3.50 0.00 -0.35 1.43 -1.26 -4.85 118.68 114.62 1b44 s LEU 104 Ca 0.36 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 1b44 s LEU 104 Cb 0.11 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1b44 s LEU 104 CO 0.02 -1.94 0.00 0.00 0.23 0.00 0.00 176.35 174.66 1b44 n ALA 105 N -2.11 -2.25 -3.18 4.21 0.00 -1.26 -4.87 120.51 111.05 1b44 n ALA 105 Ca 0.14 0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 1b44 n ALA 105 Cb 0.50 -0.72 0.03 0.00 0.00 0.00 0.00 19.45 19.25 1b44 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b44 n GLY 106 N -2.06 -0.52 0.84 0.00 0.00 -1.26 -5.27 105.19 96.92 1b44 n GLY 106 Ca 0.00 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1b44 n GLY 106 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29