#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa0 n ASP 5 N 0.00 0.00 -0.06 0.00 -0.08 -1.26 -5.14 116.55 110.00 1sa0 n ASP 5 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 1sa0 n ASP 5 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1sa0 n ASP 5 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 1sa0 n MET 6 N 0.00 0.27 -2.18 -0.67 0.00 -1.26 -4.98 117.12 108.30 1sa0 n MET 6 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1sa0 n MET 6 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 33.22 32.26 1sa0 n MET 6 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1sa0 n GLU 7 N -3.51 -3.79 -4.92 3.17 0.28 -1.26 -4.65 120.64 105.96 1sa0 n GLU 7 Ca -0.24 2.73 -0.33 0.00 -0.16 0.00 0.00 57.16 59.16 1sa0 n GLU 7 Cb 0.68 -3.44 -0.14 0.00 1.43 0.00 0.00 31.44 29.97 1sa0 n GLU 7 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1sa0 s VAL 8 N -0.41 2.96 0.08 3.84 -7.23 -1.26 -4.18 120.40 114.20 1sa0 s VAL 8 Ca 0.00 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 1sa0 s VAL 8 Cb 0.00 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1sa0 s VAL 8 CO 0.00 0.58 0.23 -0.63 -0.31 0.00 0.00 175.10 174.97 1sa0 s ILE 9 N -0.59 5.37 -0.34 -0.62 1.01 -0.87 -4.98 121.20 120.18 1sa0 s ILE 9 Ca 0.08 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1sa0 s ILE 9 Cb -0.11 -3.65 0.10 0.00 0.01 0.00 0.00 42.46 38.81 1sa0 s ILE 9 CO 0.01 0.09 0.08 -1.83 0.00 0.00 0.00 174.94 173.30 1sa0 s GLU 10 N -2.65 1.24 -0.60 2.79 4.04 -1.26 -1.27 118.70 120.99 1sa0 s GLU 10 Ca 0.35 -1.65 -0.26 0.00 0.04 0.00 0.00 54.97 53.45 1sa0 s GLU 10 Cb -0.13 -2.77 0.04 0.00 0.02 0.00 0.00 34.13 31.29 1sa0 s GLU 10 CO 0.28 -0.97 1.11 -0.48 -1.84 0.00 0.00 175.26 173.35 1sa0 s LEU 11 N 1.06 3.69 0.00 1.83 2.34 -1.15 -4.86 118.68 121.59 1sa0 s LEU 11 Ca 0.11 -0.22 0.00 0.00 0.06 0.00 0.00 54.13 54.08 1sa0 s LEU 11 Cb -0.19 -2.89 0.00 0.00 -0.56 0.00 0.00 46.19 42.55 1sa0 s LEU 11 CO -0.13 -1.46 0.00 -3.20 -1.06 0.00 0.00 176.35 170.50 1sa0 n ASN 12 N 8.22 -1.14 -3.54 1.48 2.85 -1.26 -4.14 115.26 117.74 1sa0 n ASN 12 Ca 0.04 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.24 1sa0 n ASN 12 Cb 0.48 0.72 -0.15 0.00 1.24 0.00 0.00 39.78 42.07 1sa0 n ASN 12 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1sa0 s LYS 13 N -4.87 0.19 0.00 1.20 2.20 -1.26 -1.92 119.74 115.27 1sa0 s LYS 13 Ca 0.00 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1sa0 s LYS 13 Cb 0.00 -1.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.13 1sa0 s LYS 13 CO 0.00 -0.98 0.00 0.00 -0.36 0.00 0.00 175.35 174.01 1sa0 n THR 15 N 0.00 1.75 -2.56 0.00 5.66 -1.26 -4.43 114.28 113.44 1sa0 n THR 15 Ca 0.00 -0.62 -0.19 0.00 -3.05 0.00 0.00 64.05 60.20 1sa0 n THR 15 Cb 0.00 -1.73 0.01 0.00 -1.55 0.00 0.00 70.33 67.06 1sa0 n THR 15 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1sa0 n SER 16 N -3.52 3.19 -3.49 1.09 3.41 -1.26 -5.07 113.62 107.95 1sa0 n SER 16 Ca -0.33 -3.25 -0.01 0.00 -0.26 0.00 0.00 58.87 55.02 1sa0 n SER 16 Cb 1.02 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1sa0 n SER 16 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sa0 s GLY 17 N -3.35 0.04 -0.30 5.00 0.00 -1.26 -5.16 107.32 102.29 1sa0 s GLY 17 Ca 0.38 -0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.71 1sa0 s GLY 17 CO -0.08 3.34 1.13 1.62 0.00 0.00 0.00 173.10 179.10 1sa0 s GLN 18 N -2.12 0.18 -0.03 2.90 0.74 -1.26 -3.04 119.66 117.02 1sa0 s GLN 18 Ca 0.24 0.42 0.06 0.00 0.05 0.00 0.00 55.36 56.13 1sa0 s GLN 18 Cb -0.02 0.23 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 1sa0 s GLN 18 CO 0.03 -0.06 -0.21 -1.12 -0.55 0.00 0.00 175.29 173.39 1sa0 s SER 19 N 2.11 3.47 -0.20 6.67 0.01 -0.81 -5.02 113.70 119.93 1sa0 s SER 19 Ca -0.02 -0.35 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 1sa0 s SER 19 Cb -0.03 -0.56 0.06 0.00 0.21 0.00 0.00 66.02 65.70 1sa0 s SER 19 CO -0.16 0.33 0.51 0.72 0.41 0.00 0.00 173.24 175.05 1sa0 s PHE 20 N -0.66 -0.71 0.12 2.43 -0.12 -1.26 -2.93 117.98 114.84 1sa0 s PHE 20 Ca 0.11 1.53 -0.08 0.00 -0.05 0.00 0.00 56.93 58.44 1sa0 s PHE 20 Cb -0.10 0.34 -0.06 0.00 -0.63 0.00 0.00 43.02 42.57 1sa0 s PHE 20 CO -0.00 -0.37 0.40 -2.00 -0.05 0.00 0.00 175.22 173.20 1sa0 s GLU 21 N 1.11 3.69 -0.35 1.99 2.12 -0.40 -4.95 118.70 121.91 1sa0 s GLU 21 Ca -0.07 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.34 1sa0 s GLU 21 Cb -0.06 -2.91 0.11 0.00 0.26 0.00 0.00 34.13 31.53 1sa0 s GLU 21 CO -0.10 0.50 0.12 0.54 -0.54 0.00 0.00 175.26 175.78 1sa0 s VAL 22 N -1.54 1.45 0.13 3.70 0.11 -1.26 -2.04 120.40 120.95 1sa0 s VAL 22 Ca 0.37 -1.99 -0.30 0.00 -2.93 0.00 0.00 61.98 57.14 1sa0 s VAL 22 Cb -0.13 -2.07 -0.07 0.00 -1.53 0.00 0.00 36.38 32.58 1sa0 s VAL 22 CO 0.21 -0.70 1.17 -0.63 -3.33 0.00 0.00 175.10 171.81 1sa0 s ILE 23 N 1.08 3.86 -0.22 7.04 1.01 -1.26 -4.96 121.20 127.75 1sa0 s ILE 23 Ca 0.12 1.47 -0.03 0.00 0.00 0.00 0.00 60.65 62.21 1sa0 s ILE 23 Cb -0.20 -3.94 -0.13 0.00 0.01 0.00 0.00 42.46 38.21 1sa0 s ILE 23 CO -0.14 0.19 -0.23 -0.11 0.00 0.00 0.00 174.94 174.65 1sa0 n LEU 24 N 3.05 2.49 -3.73 2.97 7.94 -1.26 -4.64 117.00 123.82 1sa0 n LEU 24 Ca 0.06 0.03 -0.12 0.00 -1.11 0.00 0.00 56.01 54.86 1sa0 n LEU 24 Cb 0.46 -0.73 -0.11 0.00 0.53 0.00 0.00 43.42 43.57 1sa0 n LEU 24 CO 0.55 0.73 0.04 -0.54 -1.11 0.00 0.00 177.39 177.05 1sa0 s LYS 25 N -2.43 0.40 -0.54 1.96 -0.14 -1.26 -4.87 119.74 112.86 1sa0 s LYS 25 Ca -0.30 0.61 -0.35 0.00 -1.36 0.00 0.00 55.97 54.58 1sa0 s LYS 25 Cb 0.09 0.10 -0.14 0.00 -1.68 0.00 0.00 37.83 36.20 1sa0 s LYS 25 CO 0.46 -0.10 2.33 -2.30 -0.76 0.00 0.00 175.35 174.98 1sa0 n PRO 26 N 3.46 0.64 -0.51 -1.68 -0.02 -1.26 -4.86 135.00 130.77 1sa0 n PRO 26 Ca -0.18 0.13 0.42 0.00 -2.02 0.00 0.00 63.50 61.85 1sa0 n PRO 26 Cb 0.56 -2.22 0.70 0.00 -0.02 0.00 0.00 33.50 32.53 1sa0 n PRO 26 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1sa0 h PRO 27 N 12.74 0.03 -5.31 0.52 0.13 -2.04 -3.47 132.00 134.61 1sa0 h PRO 27 Ca -0.19 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 1sa0 h PRO 27 Cb 1.33 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1sa0 h PRO 27 CO 1.13 0.02 -0.88 0.43 -0.23 0.00 0.00 178.00 178.48 1sa0 n SER 28 N -4.53 -7.86 0.00 1.44 7.64 -1.26 -5.08 113.62 103.97 1sa0 n SER 28 Ca 0.40 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.37 1sa0 n SER 28 Cb 1.61 -5.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 1sa0 n SER 28 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1sa0 n PHE 29 N 0.46 0.00 -2.67 1.43 0.99 -1.26 -5.33 117.46 111.08 1sa0 n PHE 29 Ca 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.44 1sa0 n PHE 29 Cb 0.18 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.72 1sa0 n PHE 29 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1sa0 n ASP 30 N 0.00 -1.38 -3.07 4.37 9.92 -1.26 -5.32 116.55 119.80 1sa0 n ASP 30 Ca 0.00 -1.50 -0.00 0.00 -0.53 0.00 0.00 54.79 52.76 1sa0 n ASP 30 Cb 0.00 0.74 -0.00 0.00 -0.64 0.00 0.00 41.12 41.22 1sa0 n ASP 30 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1sa0 n PRO 45 N 1.92 -1.36 0.26 -0.24 -0.02 -1.26 -5.31 135.00 128.99 1sa0 n PRO 45 Ca 0.05 1.30 0.14 0.00 -2.02 0.00 0.00 63.50 62.97 1sa0 n PRO 45 Cb 0.68 -1.03 0.66 0.00 -0.02 0.00 0.00 33.50 33.80 1sa0 n PRO 45 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sa0 h SER 46 N 4.90 0.00 -3.75 2.55 0.87 -2.10 -3.49 113.55 112.53 1sa0 h SER 46 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1sa0 h SER 46 Cb 0.14 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1sa0 h SER 46 CO 0.00 0.12 -0.44 -0.11 -0.53 0.00 0.00 176.83 175.87 1sa0 n LEU 47 N -3.37 -4.00 0.27 2.23 -0.00 -1.26 -4.96 117.00 105.92 1sa0 n LEU 47 Ca -0.01 1.22 -0.11 0.00 -0.00 0.00 0.00 56.01 57.11 1sa0 n LEU 47 Cb 0.31 -1.97 -0.05 0.00 -0.00 0.00 0.00 43.42 41.70 1sa0 n LEU 47 CO 0.30 -1.30 0.36 -0.08 -0.00 0.00 0.00 177.39 176.67 1sa0 h GLU 48 N 1.84 -0.69 -0.20 1.96 4.57 -2.07 -3.28 114.58 116.71 1sa0 h GLU 48 Ca -0.02 0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 1sa0 h GLU 48 Cb 0.04 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 1sa0 h GLU 48 CO 0.00 -0.46 0.09 -1.91 -1.18 0.00 0.00 179.01 175.55 1sa0 n GLU 49 N -4.61 -0.01 -0.19 1.92 2.13 -1.26 -2.78 120.64 115.84 1sa0 n GLU 49 Ca -0.09 0.28 -0.02 0.00 0.66 0.00 0.00 57.16 57.98 1sa0 n GLU 49 Cb 0.28 -0.49 -0.03 0.00 0.27 0.00 0.00 31.44 31.47 1sa0 n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1sa0 n ILE 50 N -3.54 0.59 0.46 6.31 5.41 -1.24 -2.63 119.36 124.72 1sa0 n ILE 50 Ca 0.07 -0.29 0.05 0.00 1.00 0.00 0.00 62.75 63.58 1sa0 n ILE 50 Cb 0.24 -1.57 -0.01 0.00 -0.71 0.00 0.00 39.64 37.59 1sa0 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sa0 n GLN 51 N 2.83 2.37 0.21 0.38 -0.00 -1.12 -4.21 117.38 117.85 1sa0 n GLN 51 Ca 0.08 -0.50 0.12 0.00 -0.00 0.00 0.00 57.00 56.70 1sa0 n GLN 51 Cb 0.18 -1.07 0.16 0.00 -0.00 0.00 0.00 30.24 29.51 1sa0 n GLN 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1sa0 h LYS 52 N 0.94 0.00 -0.33 2.61 1.79 -1.81 -0.66 116.57 119.10 1sa0 h LYS 52 Ca 0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.31 1sa0 h LYS 52 Cb 0.33 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1sa0 h LYS 52 CO 0.00 0.01 -0.44 -0.22 -1.08 0.00 0.00 179.45 177.72 1sa0 h LYS 53 N 0.00 0.88 -0.27 3.15 3.64 -1.84 -3.08 116.57 119.05 1sa0 h LYS 53 Ca -0.00 -0.51 -0.12 0.00 -1.27 0.00 0.00 60.65 58.75 1sa0 h LYS 53 Cb 1.01 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1sa0 h LYS 53 CO 0.00 1.15 -0.31 1.25 -2.27 0.00 0.00 179.45 179.27 1sa0 h LEU 54 N 0.68 0.75 -3.12 5.20 5.85 -1.75 -3.20 115.31 119.71 1sa0 h LEU 54 Ca 0.04 -0.48 -0.29 0.00 0.84 0.00 0.00 57.88 57.99 1sa0 h LEU 54 Cb 1.04 -0.21 -0.17 0.00 0.37 0.00 0.00 40.66 41.68 1sa0 h LEU 54 CO 0.10 1.08 0.36 -1.84 -0.34 0.00 0.00 178.44 177.81 1sa0 n GLU 55 N -4.26 1.76 -0.04 1.25 0.28 -0.27 -2.84 120.64 116.52 1sa0 n GLU 55 Ca -0.04 -1.72 -0.02 0.00 -0.16 0.00 0.00 57.16 55.22 1sa0 n GLU 55 Cb 0.48 -1.68 -0.09 0.00 1.43 0.00 0.00 31.44 31.58 1sa0 n GLU 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sa0 n ALA 56 N -0.42 1.95 0.06 -1.84 0.00 -1.17 -4.26 120.51 114.85 1sa0 n ALA 56 Ca 0.34 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 1sa0 n ALA 56 Cb 1.16 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 20.46 1sa0 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa0 h ALA 57 N 0.73 0.41 0.38 0.00 0.00 -1.63 -3.10 119.26 116.05 1sa0 h ALA 57 Ca -0.21 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.00 1sa0 h ALA 57 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1sa0 h ALA 57 CO 0.01 0.80 -0.19 1.49 0.00 0.00 0.00 179.25 181.36 1sa0 h GLU 58 N 0.25 -0.51 -0.60 0.00 4.81 -1.77 -1.63 114.58 115.13 1sa0 h GLU 58 Ca -0.07 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1sa0 h GLU 58 Cb 1.51 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.01 1sa0 h GLU 58 CO 0.15 -0.34 0.00 -1.91 -0.73 0.00 0.00 179.01 176.19 1sa0 n GLU 59 N -5.32 0.67 0.00 1.92 2.13 -1.21 -0.76 120.64 118.06 1sa0 n GLU 59 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1sa0 n GLU 59 Cb 0.23 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.64 1sa0 n GLU 59 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1sa0 n ARG 60 N 0.09 2.73 0.10 5.31 0.63 -1.03 -4.40 116.66 120.10 1sa0 n ARG 60 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1sa0 n ARG 60 Cb 0.15 -0.89 -0.14 0.00 0.45 0.00 0.00 32.46 32.03 1sa0 n ARG 60 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1sa0 h ARG 61 N 0.00 0.31 0.00 -0.14 2.43 -0.59 -2.06 114.38 114.33 1sa0 h ARG 61 Ca 0.00 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1sa0 h ARG 61 Cb 0.77 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1sa0 h ARG 61 CO 0.00 1.24 0.00 0.87 -1.51 0.00 0.00 179.97 180.57 1sa0 h LYS 62 N 0.09 0.00 0.08 0.20 1.57 -1.19 -2.54 116.57 114.78 1sa0 h LYS 62 Ca -0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1sa0 h LYS 62 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1sa0 h LYS 62 CO 0.21 0.00 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.13 1sa0 h TYR 63 N 0.00 -0.10 -0.92 -1.35 3.20 -1.74 -1.33 116.97 114.73 1sa0 h TYR 63 Ca 0.00 -0.00 0.26 0.00 3.14 0.00 0.00 58.73 62.13 1sa0 h TYR 63 Cb 0.52 0.03 -0.16 0.00 1.54 0.00 0.00 36.73 38.67 1sa0 h TYR 63 CO 0.00 0.34 0.18 0.37 -1.64 0.00 0.00 178.16 177.40 1sa0 h GLN 64 N -0.96 0.10 0.20 1.82 5.75 -1.14 -0.10 115.11 120.78 1sa0 h GLN 64 Ca -0.01 -0.01 -0.33 0.00 -0.15 0.00 0.00 58.65 58.16 1sa0 h GLN 64 Cb 0.49 -0.02 0.02 0.00 1.07 0.00 0.00 27.48 29.03 1sa0 h GLN 64 CO 0.02 0.07 -1.55 1.49 -2.65 0.00 0.00 178.83 176.21 1sa0 h GLU 65 N 0.11 0.42 0.00 1.69 4.81 -1.59 -2.82 114.58 117.20 1sa0 h GLU 65 Ca 0.59 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1sa0 h GLU 65 Cb 1.25 0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1sa0 h GLU 65 CO -0.77 1.34 0.00 0.00 -0.73 0.00 0.00 179.01 178.86 1sa0 h ALA 66 N 0.10 1.00 -0.52 2.92 0.00 -0.24 -3.14 119.26 119.38 1sa0 h ALA 66 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1sa0 h ALA 66 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1sa0 h ALA 66 CO 0.19 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.53 1sa0 n GLU 67 N -2.29 0.00 -0.19 0.00 4.07 -0.15 -3.03 120.64 119.05 1sa0 n GLU 67 Ca -0.01 0.27 -0.02 0.00 -0.06 0.00 0.00 57.16 57.34 1sa0 n GLU 67 Cb 0.05 -0.74 -0.03 0.00 -0.06 0.00 0.00 31.44 30.66 1sa0 n GLU 67 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1sa0 n LEU 68 N -1.94 1.13 0.06 4.31 7.99 -1.07 -0.04 117.00 127.44 1sa0 n LEU 68 Ca 0.00 -0.92 0.00 0.00 -0.01 0.00 0.00 56.01 55.08 1sa0 n LEU 68 Cb 0.00 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.02 1sa0 n LEU 68 CO 0.00 0.03 0.00 -0.11 -1.51 0.00 0.00 177.39 175.80 1sa0 n LEU 69 N 2.63 -0.79 0.24 2.23 7.94 -1.20 -4.58 117.00 123.46 1sa0 n LEU 69 Ca 0.07 0.24 0.16 0.00 -1.11 0.00 0.00 56.01 55.36 1sa0 n LEU 69 Cb 0.17 0.95 0.67 0.00 0.53 0.00 0.00 43.42 45.74 1sa0 n LEU 69 CO 0.16 -0.40 0.97 0.50 -1.11 0.00 0.00 177.39 177.51 1sa0 h LYS 70 N 0.00 0.00 -0.01 1.96 3.64 -0.69 0.18 116.57 121.65 1sa0 h LYS 70 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sa0 h LYS 70 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sa0 h LYS 70 CO 0.00 0.00 -0.55 1.58 -2.27 0.00 0.00 179.45 178.21 1sa0 n HIS 71 N -2.83 0.00 -0.09 1.91 -0.00 0.94 -3.88 115.22 111.28 1sa0 n HIS 71 Ca 0.01 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.07 1sa0 n HIS 71 Cb 0.26 -0.08 -0.09 0.00 -0.12 0.00 0.00 29.99 29.97 1sa0 n HIS 71 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1sa0 n LEU 72 N -0.80 2.63 0.00 0.27 7.94 -0.09 -4.02 117.00 122.93 1sa0 n LEU 72 Ca 0.08 -0.09 0.08 0.00 -1.11 0.00 0.00 56.01 54.97 1sa0 n LEU 72 Cb 0.38 -0.51 0.38 0.00 0.53 0.00 0.00 43.42 44.19 1sa0 n LEU 72 CO 0.32 0.75 0.73 0.00 -1.11 0.00 0.00 177.39 178.09 1sa0 n ALA 73 N -2.97 1.82 -0.02 1.96 0.00 0.45 -1.95 120.51 119.81 1sa0 n ALA 73 Ca -0.31 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 1sa0 n ALA 73 Cb 0.85 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 1sa0 n ALA 73 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1sa0 h GLU 74 N 0.00 -0.05 -0.42 0.00 4.81 -1.72 -2.90 114.58 114.30 1sa0 h GLU 74 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1sa0 h GLU 74 Cb 0.19 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1sa0 h GLU 74 CO 0.00 0.59 0.16 0.87 -0.73 0.00 0.00 179.01 179.90 1sa0 h LYS 75 N -0.82 0.32 -0.76 1.92 1.57 -1.53 -2.99 116.57 114.29 1sa0 h LYS 75 Ca -0.01 -0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.93 1sa0 h LYS 75 Cb 0.67 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.78 1sa0 h LYS 75 CO 0.01 0.21 -0.00 0.00 -0.57 0.00 0.00 179.45 179.10 1sa0 h ARG 76 N 0.33 0.09 -0.92 3.15 2.47 -1.38 -0.04 114.38 118.08 1sa0 h ARG 76 Ca 0.19 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.76 1sa0 h ARG 76 Cb 0.17 -0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.38 1sa0 h ARG 76 CO -0.19 0.06 0.19 -1.91 0.56 0.00 0.00 179.97 178.68 1sa0 n GLU 77 N -5.35 2.11 0.00 0.04 0.00 -1.10 -1.98 120.64 114.36 1sa0 n GLU 77 Ca 0.14 -1.46 0.00 0.00 0.00 0.00 0.00 57.16 55.83 1sa0 n GLU 77 Cb 0.47 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 30.23 1sa0 n GLU 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1sa0 n HIS 78 N -0.05 0.00 0.01 4.31 -0.00 -0.05 -4.11 115.22 115.34 1sa0 n HIS 78 Ca 0.22 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.28 1sa0 n HIS 78 Cb 0.92 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.65 1sa0 n HIS 78 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1sa0 h GLU 79 N 0.00 0.11 -0.47 1.57 5.08 -1.12 -2.63 114.58 117.12 1sa0 h GLU 79 Ca 0.00 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 1sa0 h GLU 79 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1sa0 h GLU 79 CO 0.00 0.82 -0.10 0.00 -1.00 0.00 0.00 179.01 178.74 1sa0 h ARG 80 N 0.03 0.90 -0.26 2.33 3.08 -1.73 -2.22 114.38 116.51 1sa0 h ARG 80 Ca -0.27 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.41 1sa0 h ARG 80 Cb 1.99 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 1sa0 h ARG 80 CO 0.11 0.98 0.01 0.93 -1.07 0.00 0.00 179.97 180.93 1sa0 h GLU 81 N 0.74 0.38 0.00 0.04 5.08 -1.71 -1.45 114.58 117.66 1sa0 h GLU 81 Ca 0.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1sa0 h GLU 81 Cb 0.64 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1sa0 h GLU 81 CO 0.04 0.40 -0.00 -0.39 -1.00 0.00 0.00 179.01 178.06 1sa0 h VAL 82 N 0.37 1.71 -0.31 3.13 -1.51 -1.34 -1.28 116.25 117.01 1sa0 h VAL 82 Ca 0.09 -2.14 0.09 0.00 -1.23 0.00 0.00 66.70 63.51 1sa0 h VAL 82 Cb 0.24 3.15 -0.01 0.00 -2.13 0.00 0.00 31.29 32.53 1sa0 h VAL 82 CO 0.00 0.55 0.32 0.16 -1.23 0.00 0.00 177.57 177.38 1sa0 h ILE 83 N -0.92 0.47 0.10 7.19 -2.65 -1.30 -2.44 117.51 117.96 1sa0 h ILE 83 Ca -0.00 0.00 -0.18 0.00 1.03 0.00 0.00 64.86 65.71 1sa0 h ILE 83 Cb 0.90 0.75 0.01 0.00 -2.05 0.00 0.00 36.82 36.43 1sa0 h ILE 83 CO 0.00 0.00 -0.89 -0.61 0.03 0.00 0.00 178.15 176.68 1sa0 h GLN 84 N 0.00 0.21 0.00 0.16 5.75 -1.25 -2.96 115.11 117.01 1sa0 h GLN 84 Ca 0.15 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1sa0 h GLN 84 Cb 0.79 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.47 1sa0 h GLN 84 CO -0.00 1.17 0.00 1.63 -2.65 0.00 0.00 178.83 178.98 1sa0 n LYS 85 N -4.17 0.08 -0.04 1.69 4.01 -0.49 -0.99 118.16 118.24 1sa0 n LYS 85 Ca -0.18 0.35 -0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1sa0 n LYS 85 Cb 0.78 -1.65 -0.00 0.00 -0.51 0.00 0.00 35.03 33.64 1sa0 n LYS 85 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sa0 h ALA 86 N 2.35 0.00 -0.58 7.82 0.00 -1.53 -1.79 119.26 125.54 1sa0 h ALA 86 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sa0 h ALA 86 Cb 0.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1sa0 h ALA 86 CO 0.00 0.04 0.35 0.82 0.00 0.00 0.00 179.25 180.46 1sa0 h ILE 87 N -0.77 1.17 0.00 0.00 2.04 -1.45 -1.64 117.51 116.86 1sa0 h ILE 87 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1sa0 h ILE 87 Cb 0.04 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1sa0 h ILE 87 CO 0.00 0.18 0.00 -0.33 0.00 0.00 0.00 178.15 178.00 1sa0 h GLU 88 N 0.78 0.00 -0.09 2.37 5.08 -1.23 -1.66 114.58 119.83 1sa0 h GLU 88 Ca 0.21 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1sa0 h GLU 88 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1sa0 h GLU 88 CO -0.04 0.00 -0.29 1.49 -1.00 0.00 0.00 179.01 179.17 1sa0 h GLU 89 N 0.00 0.37 0.06 2.33 4.57 -0.43 -3.19 114.58 118.28 1sa0 h GLU 89 Ca 0.00 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1sa0 h GLU 89 Cb 0.46 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1sa0 h GLU 89 CO 0.00 0.89 -0.03 -0.97 -1.18 0.00 0.00 179.01 177.72 1sa0 h ASN 90 N -0.09 -0.07 -0.67 1.04 -1.24 -0.92 -3.21 115.58 110.43 1sa0 h ASN 90 Ca -0.01 -0.19 0.13 0.00 0.71 0.00 0.00 56.30 56.94 1sa0 h ASN 90 Cb 0.92 0.02 -0.13 0.00 0.73 0.00 0.00 38.32 39.86 1sa0 h ASN 90 CO 0.06 0.16 -0.22 0.78 -1.29 0.00 0.00 177.43 176.91 1sa0 h ASN 91 N -0.29 -0.81 0.00 1.15 2.35 -1.41 0.15 115.58 116.73 1sa0 h ASN 91 Ca -0.01 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1sa0 h ASN 91 Cb 0.26 0.48 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1sa0 h ASN 91 CO 0.01 -0.25 0.00 0.59 -1.65 0.00 0.00 177.43 176.13 1sa0 n ASN 92 N -5.46 0.90 -0.04 5.81 3.02 -1.21 -1.18 115.26 117.11 1sa0 n ASN 92 Ca 0.08 -1.62 -0.06 0.00 -0.03 0.00 0.00 54.58 52.95 1sa0 n ASN 92 Cb 0.36 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1sa0 n ASN 92 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1sa0 n PHE 93 N 0.12 0.00 0.03 3.10 7.35 0.00 -4.57 117.46 123.50 1sa0 n PHE 93 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1sa0 n PHE 93 Cb 0.21 -0.27 -0.01 0.00 0.35 0.00 0.00 39.48 39.77 1sa0 n PHE 93 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 1sa0 h ILE 94 N -0.07 0.00 0.00 -2.13 6.09 -0.77 -2.12 117.51 118.51 1sa0 h ILE 94 Ca -0.16 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 1sa0 h ILE 94 Cb 1.22 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.51 1sa0 h ILE 94 CO -0.05 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.32 1sa0 n LYS 95 N -2.43 0.58 0.00 2.19 5.02 -0.32 0.62 118.16 123.81 1sa0 n LYS 95 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1sa0 n LYS 95 Cb 0.04 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1sa0 n LYS 95 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1sa0 n MET 96 N 0.59 0.46 -0.32 1.97 0.00 -1.25 -4.80 117.12 113.77 1sa0 n MET 96 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.70 57.78 1sa0 n MET 96 Cb 0.25 -0.57 0.21 0.00 0.00 0.00 0.00 33.22 33.11 1sa0 n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sa0 n ALA 97 N -0.87 2.70 -0.09 -5.12 0.00 -0.28 -3.41 120.51 113.44 1sa0 n ALA 97 Ca 0.00 -2.17 -0.15 0.00 0.00 0.00 0.00 53.44 51.12 1sa0 n ALA 97 Cb 0.07 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 1sa0 n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sa0 n LYS 98 N -0.57 0.68 -0.37 0.00 4.81 0.20 -4.22 118.16 118.69 1sa0 n LYS 98 Ca 0.18 0.13 0.10 0.00 -0.87 0.00 0.00 58.31 57.85 1sa0 n LYS 98 Cb 0.76 -1.57 0.29 0.00 0.02 0.00 0.00 35.03 34.52 1sa0 n LYS 98 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1sa0 n GLU 99 N -3.11 2.67 -0.04 1.64 0.28 -1.26 -2.58 120.64 118.25 1sa0 n GLU 99 Ca -0.37 -2.33 -0.03 0.00 -0.16 0.00 0.00 57.16 54.27 1sa0 n GLU 99 Cb 1.06 -1.56 -0.14 0.00 1.43 0.00 0.00 31.44 32.23 1sa0 n GLU 99 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sa0 n LYS 100 N 1.28 0.66 -0.07 3.44 5.02 -1.22 -3.53 118.16 123.74 1sa0 n LYS 100 Ca 0.22 0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.47 1sa0 n LYS 100 Cb 0.59 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 1sa0 n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1sa0 h LEU 101 N 0.00 0.00 -0.84 -0.35 5.85 -1.73 -3.34 115.31 114.90 1sa0 h LEU 101 Ca -0.31 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.23 1sa0 h LEU 101 Cb 1.78 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.74 1sa0 h LEU 101 CO 0.03 0.85 0.48 0.00 -0.34 0.00 0.00 178.44 179.46 1sa0 h ALA 102 N -0.72 1.21 -0.24 1.25 0.00 -1.70 0.30 119.26 119.36 1sa0 h ALA 102 Ca -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sa0 h ALA 102 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1sa0 h ALA 102 CO -0.04 0.09 0.01 0.00 0.00 0.00 0.00 179.25 179.31 1sa0 n GLN 103 N -4.75 2.53 0.00 0.00 -0.00 -1.23 -2.89 117.38 111.05 1sa0 n GLN 103 Ca 0.14 -1.27 0.00 0.00 -0.00 0.00 0.00 57.00 55.87 1sa0 n GLN 103 Cb 0.30 -1.80 0.00 0.00 -0.00 0.00 0.00 30.24 28.74 1sa0 n GLN 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1sa0 n LYS 104 N 0.23 1.72 -1.07 2.61 4.81 -0.26 -4.31 118.16 121.89 1sa0 n LYS 104 Ca 0.12 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.45 1sa0 n LYS 104 Cb 0.65 -0.86 0.26 0.00 0.02 0.00 0.00 35.03 35.10 1sa0 n LYS 104 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1sa0 n MET 105 N -1.13 3.26 0.00 1.64 2.81 -0.07 -2.68 117.12 120.95 1sa0 n MET 105 Ca 0.00 -2.98 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 1sa0 n MET 105 Cb 0.03 -2.19 0.00 0.00 -0.71 0.00 0.00 33.22 30.35 1sa0 n MET 105 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1sa0 n GLU 106 N -0.41 2.85 0.07 0.03 -0.58 -1.20 -4.15 120.64 117.25 1sa0 n GLU 106 Ca 0.46 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 57.07 1sa0 n GLU 106 Cb 1.46 -0.76 -0.04 0.00 -0.57 0.00 0.00 31.44 31.53 1sa0 n GLU 106 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1sa0 h SER 107 N 0.00 0.50 0.35 1.62 0.87 -1.73 -3.21 113.55 111.94 1sa0 h SER 107 Ca 0.00 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1sa0 h SER 107 Cb 0.05 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1sa0 h SER 107 CO 0.00 1.20 -0.17 -1.13 -0.53 0.00 0.00 176.83 176.20 1sa0 h ASN 108 N 0.21 -0.40 -0.34 6.23 -0.73 -1.73 -2.60 115.58 116.22 1sa0 h ASN 108 Ca -0.08 0.01 0.07 0.00 1.87 0.00 0.00 56.30 58.18 1sa0 h ASN 108 Cb 1.57 0.10 -0.08 0.00 0.27 0.00 0.00 38.32 40.18 1sa0 h ASN 108 CO 0.16 0.03 -0.29 0.50 -0.37 0.00 0.00 177.43 177.45 1sa0 h LYS 109 N -1.10 -0.24 -0.59 6.67 3.64 -1.73 -1.97 116.57 121.25 1sa0 h LYS 109 Ca -0.05 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1sa0 h LYS 109 Cb 0.36 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1sa0 h LYS 109 CO 0.08 -0.16 0.40 0.93 -2.27 0.00 0.00 179.45 178.42 1sa0 h GLU 110 N -0.25 0.47 0.22 1.90 5.08 -1.67 -1.28 114.58 119.03 1sa0 h GLU 110 Ca 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1sa0 h GLU 110 Cb 0.51 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1sa0 h GLU 110 CO -0.48 0.31 -0.10 -0.91 -1.00 0.00 0.00 179.01 176.82 1sa0 h ASN 111 N 0.48 -0.24 -0.14 1.42 -0.26 -0.96 -2.67 115.58 113.20 1sa0 h ASN 111 Ca 0.27 -0.28 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 1sa0 h ASN 111 Cb 0.42 0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1sa0 h ASN 111 CO -0.08 0.25 -0.09 -0.09 -1.06 0.00 0.00 177.43 176.36 1sa0 h ARG 112 N -0.84 0.30 -0.80 0.81 2.43 -1.38 0.13 114.38 115.03 1sa0 h ARG 112 Ca -0.03 -0.14 0.15 0.00 -0.81 0.00 0.00 59.98 59.15 1sa0 h ARG 112 Cb 0.51 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 1sa0 h ARG 112 CO 0.05 0.66 0.53 1.49 -1.51 0.00 0.00 179.97 181.19 1sa0 h GLU 113 N -0.06 0.46 0.05 0.20 4.81 -1.38 0.57 114.58 119.24 1sa0 h GLU 113 Ca 0.03 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 1sa0 h GLU 113 Cb 0.58 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1sa0 h GLU 113 CO 0.02 0.30 -1.05 0.00 -0.73 0.00 0.00 179.01 177.55 1sa0 h ALA 114 N 1.63 0.30 -0.24 2.92 0.00 -1.18 -1.33 119.26 121.36 1sa0 h ALA 114 Ca 0.39 -0.81 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1sa0 h ALA 114 Cb 0.85 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sa0 h ALA 114 CO -0.14 0.95 -0.18 1.25 0.00 0.00 0.00 179.25 181.13 1sa0 h HIS 115 N 0.11 0.65 0.00 0.00 -0.00 0.91 -2.11 115.15 114.71 1sa0 h HIS 115 Ca -0.08 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 1sa0 h HIS 115 Cb 1.74 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 29.01 1sa0 h HIS 115 CO 0.05 0.86 0.00 -0.07 -0.00 0.00 0.00 177.93 178.76 1sa0 h LEU 116 N 0.26 0.00 0.00 0.26 4.07 0.02 -2.38 115.31 117.55 1sa0 h LEU 116 Ca 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 1sa0 h LEU 116 Cb 0.72 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1sa0 h LEU 116 CO 0.05 0.00 -0.90 0.00 -1.08 0.00 0.00 178.44 176.50 1sa0 h ALA 117 N 2.02 0.64 0.00 1.53 0.00 -1.20 -3.23 119.26 119.02 1sa0 h ALA 117 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1sa0 h ALA 117 Cb 0.70 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1sa0 h ALA 117 CO 0.00 0.34 -1.06 0.00 0.00 0.00 0.00 179.25 178.53 1sa0 h ALA 118 N 1.77 0.63 0.00 0.00 0.00 -1.27 -2.89 119.26 117.50 1sa0 h ALA 118 Ca -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1sa0 h ALA 118 Cb 1.21 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1sa0 h ALA 118 CO 0.02 0.90 0.00 -0.12 0.00 0.00 0.00 179.25 180.05 1sa0 n MET 119 N -3.08 0.21 -0.11 0.00 0.00 -0.91 -2.86 117.12 110.38 1sa0 n MET 119 Ca -0.05 0.23 -0.13 0.00 -0.00 0.00 0.00 57.70 57.75 1sa0 n MET 119 Cb 0.83 -1.77 -0.13 0.00 0.00 0.00 0.00 33.22 32.14 1sa0 n MET 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1sa0 n LEU 120 N -2.15 1.27 -0.21 -0.89 4.32 -1.22 -3.82 117.00 114.31 1sa0 n LEU 120 Ca 0.05 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1sa0 n LEU 120 Cb 0.38 -0.09 0.11 0.00 -1.62 0.00 0.00 43.42 42.20 1sa0 n LEU 120 CO 0.28 0.66 0.99 -0.08 -1.22 0.00 0.00 177.39 178.02 1sa0 h GLU 121 N 0.00 0.41 0.00 3.23 4.57 -1.50 1.02 114.58 122.32 1sa0 h GLU 121 Ca -0.53 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.48 1sa0 h GLU 121 Cb 2.03 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 30.51 1sa0 h GLU 121 CO -0.02 0.27 -0.72 0.00 -1.18 0.00 0.00 179.01 177.36 1sa0 h ARG 122 N 0.43 0.00 0.13 1.92 3.08 -1.74 -3.29 114.38 114.90 1sa0 h ARG 122 Ca 0.31 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.11 1sa0 h ARG 122 Cb 0.38 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.46 1sa0 h ARG 122 CO -0.31 0.72 -1.08 1.25 -1.07 0.00 0.00 179.97 179.49 1sa0 h LEU 123 N 0.00 0.71 0.00 3.04 5.85 -1.07 -3.01 115.31 120.84 1sa0 h LEU 123 Ca -0.01 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 1sa0 h LEU 123 Cb 1.29 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1sa0 h LEU 123 CO 0.09 1.52 0.00 0.00 -0.34 0.00 0.00 178.44 179.71 1sa0 n GLN 124 N -3.94 0.70 -0.06 1.25 6.02 0.33 -3.36 117.38 118.33 1sa0 n GLN 124 Ca -0.14 0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 56.81 1sa0 n GLN 124 Cb 0.92 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.58 1sa0 n GLN 124 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1sa0 n GLU 125 N -1.02 1.77 -1.80 -1.09 0.00 -1.21 -2.79 120.64 114.50 1sa0 n GLU 125 Ca 0.17 -0.02 -0.35 0.00 0.00 0.00 0.00 57.16 56.97 1sa0 n GLU 125 Cb 0.09 -1.33 -0.01 0.00 0.00 0.00 0.00 31.44 30.19 1sa0 n GLU 125 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1sa0 n LYS 126 N -2.43 2.94 0.14 5.31 4.81 -1.14 -2.51 118.16 125.29 1sa0 n LYS 126 Ca -0.19 -3.11 0.00 0.00 -0.87 0.00 0.00 58.31 54.14 1sa0 n LYS 126 Cb 0.86 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1sa0 n LYS 126 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1sa0 n ASP 127 N 0.26 -2.19 -0.16 3.14 -0.08 -1.25 -4.79 116.55 111.48 1sa0 n ASP 127 Ca 0.52 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 54.33 1sa0 n ASP 127 Cb 0.37 2.21 0.01 0.00 2.34 0.00 0.00 41.12 46.05 1sa0 n ASP 127 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sa0 n LYS 128 N -3.11 1.09 -0.08 -0.67 4.76 -1.12 -2.33 118.16 116.70 1sa0 n LYS 128 Ca 0.00 -0.12 -0.11 0.00 -2.87 0.00 0.00 58.31 55.22 1sa0 n LYS 128 Cb 0.00 -1.12 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 1sa0 n LYS 128 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1sa0 n HIS 129 N -0.32 0.00 0.03 2.13 -0.00 -1.04 -3.95 115.22 112.05 1sa0 n HIS 129 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.61 1sa0 n HIS 129 Cb 0.08 -0.67 -0.08 0.00 -0.00 0.00 0.00 29.99 29.32 1sa0 n HIS 129 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1sa0 h ALA 130 N 0.17 0.00 -0.48 1.57 0.00 -1.74 0.11 119.26 118.89 1sa0 h ALA 130 Ca -0.38 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1sa0 h ALA 130 Cb 1.66 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1sa0 h ALA 130 CO -0.04 -0.43 0.18 1.05 0.00 0.00 0.00 179.25 180.00 1sa0 h GLU 131 N -0.12 0.35 0.00 0.00 4.11 -1.71 -1.86 114.58 115.34 1sa0 h GLU 131 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1sa0 h GLU 131 Cb 0.12 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1sa0 h GLU 131 CO -0.00 0.23 0.00 -0.85 0.07 0.00 0.00 179.01 178.46 1sa0 n GLU 132 N -4.99 0.13 -2.36 1.06 0.00 -1.12 -2.79 120.64 110.56 1sa0 n GLU 132 Ca 0.05 0.23 -0.21 0.00 0.00 0.00 0.00 57.16 57.22 1sa0 n GLU 132 Cb 0.18 -1.69 0.02 0.00 0.00 0.00 0.00 31.44 29.95 1sa0 n GLU 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1sa0 n VAL 133 N -1.92 2.17 0.00 3.84 0.31 0.37 -4.02 118.33 119.08 1sa0 n VAL 133 Ca 0.05 -4.27 0.00 0.00 -0.01 0.00 0.00 64.34 60.11 1sa0 n VAL 133 Cb 0.30 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1sa0 n VAL 133 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1sa0 n ARG 134 N -0.53 1.53 -0.02 5.55 0.63 -0.87 -4.52 116.66 118.43 1sa0 n ARG 134 Ca 0.34 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.36 1sa0 n ARG 134 Cb 0.81 -0.63 0.47 0.00 0.45 0.00 0.00 32.46 33.56 1sa0 n ARG 134 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1sa0 n LYS 135 N -0.80 1.16 -0.02 -0.14 5.02 -1.12 -2.07 118.16 120.19 1sa0 n LYS 135 Ca 0.00 -0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.11 1sa0 n LYS 135 Cb 0.11 -1.29 -0.16 0.00 -0.02 0.00 0.00 35.03 33.67 1sa0 n LYS 135 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1sa0 n ASN 136 N -0.52 0.24 -0.01 4.39 5.15 -1.26 -4.07 115.26 119.19 1sa0 n ASN 136 Ca 0.13 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.25 1sa0 n ASN 136 Cb 0.12 1.78 0.56 0.00 -0.53 0.00 0.00 39.78 41.70 1sa0 n ASN 136 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1sa0 n LYS 137 N -2.31 0.08 0.08 1.20 4.76 -0.88 -1.02 118.16 120.06 1sa0 n LYS 137 Ca -0.09 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.17 1sa0 n LYS 137 Cb 0.65 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 32.19 1sa0 n LYS 137 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1sa0 h GLU 138 N 0.04 0.27 0.00 1.97 -0.00 -1.69 -3.13 114.58 112.04 1sa0 h GLU 138 Ca 0.00 -0.47 -0.18 0.00 -0.00 0.00 0.00 59.36 58.71 1sa0 h GLU 138 Cb 0.47 0.17 -0.03 0.00 -0.00 0.00 0.00 28.75 29.37 1sa0 h GLU 138 CO 0.00 1.16 -1.25 1.37 -0.00 0.00 0.00 179.01 180.29 1sa0 h LEU 139 N 0.07 0.00 0.00 3.06 8.10 -1.72 -3.43 115.31 121.40 1sa0 h LEU 139 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.77 1sa0 h LEU 139 Cb 2.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.24 1sa0 h LEU 139 CO 0.18 0.68 0.00 0.29 -4.11 0.00 0.00 178.44 175.48 1sa0 n LYS 140 N -3.03 0.00 0.00 0.17 4.76 -0.19 -5.12 118.16 114.75 1sa0 n LYS 140 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1sa0 n LYS 140 Cb 0.87 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.92 1sa0 n LYS 140 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42