#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gya s GLU 2 N 0.00 0.60 -0.49 1.64 2.56 -1.26 -5.12 118.70 116.63 1gya s GLU 2 Ca 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 54.97 55.00 1gya s GLU 2 Cb 0.00 0.29 0.08 0.00 2.00 0.00 0.00 34.13 36.50 1gya s GLU 2 CO 0.00 -0.18 0.45 0.42 -0.56 0.00 0.00 175.26 175.39 1gya s ILE 3 N -0.98 5.18 0.35 -3.70 1.01 -1.26 -5.01 121.20 116.79 1gya s ILE 3 Ca -0.02 -1.10 -0.17 0.00 0.00 0.00 0.00 60.65 59.35 1gya s ILE 3 Cb -0.01 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.30 1gya s ILE 3 CO 0.01 -0.68 0.76 0.42 0.00 0.00 0.00 174.94 175.45 1gya s THR 4 N 1.76 0.00 -0.29 2.92 -4.23 -1.26 -5.05 115.64 109.49 1gya s THR 4 Ca 0.05 -1.01 0.14 0.00 -1.18 0.00 0.00 61.69 59.69 1gya s THR 4 Cb -0.25 -2.56 0.48 0.00 1.34 0.00 0.00 72.50 71.50 1gya s THR 4 CO 0.06 0.00 1.14 -0.46 -0.54 0.00 0.00 174.62 174.82 1gya n ASN 5 N -1.07 3.36 -3.56 3.99 6.94 -1.26 -5.07 115.26 118.60 1gya n ASN 5 Ca -0.07 -2.99 -0.07 0.00 -0.02 0.00 0.00 54.58 51.43 1gya n ASN 5 Cb 0.60 -0.41 -0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1gya n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gya s ALA 6 N -3.65 -1.17 -0.26 -2.53 0.00 -1.26 -3.79 121.76 109.10 1gya s ALA 6 Ca 0.40 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 1gya s ALA 6 Cb 0.38 0.77 0.04 0.00 0.00 0.00 0.00 23.12 24.30 1gya s ALA 6 CO -0.01 -1.03 -0.05 -0.51 0.00 0.00 0.00 175.76 174.16 1gya s LEU 7 N -2.99 3.40 -1.00 0.00 1.43 -0.55 -4.95 118.68 114.03 1gya s LEU 7 Ca 0.13 -1.04 -0.24 0.00 -1.03 0.00 0.00 54.13 51.94 1gya s LEU 7 Cb -0.05 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 1gya s LEU 7 CO 0.07 -0.17 1.99 -1.61 0.23 0.00 0.00 176.35 176.87 1gya s GLU 8 N 1.28 2.37 -0.15 1.70 2.02 -1.26 -3.07 118.70 121.59 1gya s GLU 8 Ca -0.02 -0.52 -0.12 0.00 0.02 0.00 0.00 54.97 54.33 1gya s GLU 8 Cb -0.18 -5.09 -0.05 0.00 0.10 0.00 0.00 34.13 28.91 1gya s GLU 8 CO -0.04 -3.80 0.24 0.95 0.02 0.00 0.00 175.26 172.64 1gya s THR 9 N 11.21 5.34 0.10 3.63 -4.23 -1.21 -5.02 115.64 125.45 1gya s THR 9 Ca 0.72 0.44 0.05 0.00 -1.18 0.00 0.00 61.69 61.72 1gya s THR 9 Cb -0.05 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1gya s THR 9 CO 0.06 0.45 -0.14 0.26 -0.54 0.00 0.00 174.62 174.71 1gya s TRP 10 N 0.07 1.32 0.00 3.99 0.52 -1.26 0.37 118.94 123.95 1gya s TRP 10 Ca 0.15 -0.53 0.00 0.00 0.02 0.00 0.00 56.10 55.74 1gya s TRP 10 Cb -0.13 -0.71 0.00 0.00 -1.15 0.00 0.00 33.47 31.48 1gya s TRP 10 CO 0.03 0.10 0.00 0.41 0.02 0.00 0.00 176.95 177.51 1gya n GLY 11 N 0.82 5.29 3.25 0.98 0.00 -0.13 -4.84 105.19 110.55 1gya n GLY 11 Ca -0.18 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 1gya n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gya s ALA 12 N -1.88 -0.95 -0.19 4.61 0.00 -1.26 -3.62 121.76 118.46 1gya s ALA 12 Ca 0.00 1.28 -0.39 0.00 0.00 0.00 0.00 51.96 52.85 1gya s ALA 12 Cb 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 23.12 22.19 1gya s ALA 12 CO 0.00 -0.22 1.68 -0.11 0.00 0.00 0.00 175.76 177.11 1gya n LEU 13 N 3.69 2.34 -0.17 0.00 7.94 -1.26 -2.60 117.00 126.93 1gya n LEU 13 Ca -0.19 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 1gya n LEU 13 Cb 0.56 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.34 1gya n LEU 13 CO 0.11 -0.51 0.00 0.61 -1.11 0.00 0.00 177.39 176.49 1gya n GLY 14 N 3.90 0.88 3.26 -3.96 0.00 0.68 -4.92 105.19 105.03 1gya n GLY 14 Ca 0.25 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1gya n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gya s GLN 15 N -1.17 0.80 0.06 1.61 0.74 -0.90 -4.72 119.66 116.08 1gya s GLN 15 Ca 0.00 -0.44 -0.17 0.00 0.05 0.00 0.00 55.36 54.80 1gya s GLN 15 Cb 0.00 0.35 -0.06 0.00 1.10 0.00 0.00 33.01 34.40 1gya s GLN 15 CO 0.00 -0.26 0.51 0.34 -0.55 0.00 0.00 175.29 175.34 1gya s ASP 16 N -1.94 6.95 0.03 6.67 2.15 -1.26 -0.85 116.67 128.41 1gya s ASP 16 Ca -0.06 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.06 1gya s ASP 16 Cb -0.01 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.27 1gya s ASP 16 CO -0.02 0.27 -0.04 -0.51 -0.17 0.00 0.00 175.17 174.70 1gya s ILE 17 N -1.15 0.22 0.03 4.11 2.07 -0.02 -4.94 121.20 121.52 1gya s ILE 17 Ca 0.28 -0.99 -0.03 0.00 -1.41 0.00 0.00 60.65 58.50 1gya s ILE 17 Cb -0.18 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 41.96 1gya s ILE 17 CO 0.17 -0.49 0.24 0.54 -1.91 0.00 0.00 174.94 173.48 1gya s ASN 18 N -1.56 6.42 -0.38 4.50 4.22 -1.26 0.82 114.94 127.70 1gya s ASN 18 Ca -0.13 0.42 -0.07 0.00 -2.14 0.00 0.00 52.86 50.93 1gya s ASN 18 Cb -0.09 -2.03 0.06 0.00 1.28 0.00 0.00 41.25 40.47 1gya s ASN 18 CO -0.01 0.21 0.19 -0.76 -2.04 0.00 0.00 177.10 174.69 1gya s LEU 19 N -2.10 4.79 0.00 3.54 1.43 0.45 -4.93 118.68 121.86 1gya s LEU 19 Ca 0.31 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 1gya s LEU 19 Cb -0.13 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1gya s LEU 19 CO 0.21 -0.44 0.00 0.47 0.23 0.00 0.00 176.35 176.81 1gya n ASP 20 N 4.84 0.00 -3.53 2.29 8.00 -1.26 -0.47 116.55 126.42 1gya n ASP 20 Ca -0.10 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.31 1gya n ASP 20 Cb 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.52 1gya n ASP 20 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1gya s ILE 21 N 0.00 0.00 0.91 0.53 2.07 -1.26 -4.70 121.20 118.75 1gya s ILE 21 Ca 0.00 -0.14 -0.15 0.00 -1.41 0.00 0.00 60.65 58.94 1gya s ILE 21 Cb 0.00 -1.19 0.02 0.00 0.13 0.00 0.00 42.46 41.42 1gya s ILE 21 CO 0.00 0.00 -0.34 -2.65 -1.91 0.00 0.00 174.94 170.04 1gya n PRO 22 N -0.32 -0.99 -0.68 3.50 -0.02 -1.26 -4.85 135.00 130.36 1gya n PRO 22 Ca -0.10 -0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 60.95 1gya n PRO 22 Cb 0.62 -1.27 0.08 0.00 -0.02 0.00 0.00 33.50 32.91 1gya n PRO 22 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1gya n SER 23 N 0.99 4.02 -4.14 2.55 7.64 -1.26 -4.81 113.62 118.61 1gya n SER 23 Ca 0.01 -2.88 -0.17 0.00 1.01 0.00 0.00 58.87 56.84 1gya n SER 23 Cb 0.43 -0.75 -0.12 0.00 -1.01 0.00 0.00 64.21 62.76 1gya n SER 23 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1gya s PHE 24 N -1.73 1.10 0.04 1.43 -0.71 -1.26 -5.16 117.98 111.68 1gya s PHE 24 Ca 0.30 -0.45 0.02 0.00 -1.04 0.00 0.00 56.93 55.76 1gya s PHE 24 Cb 0.25 -0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 1gya s PHE 24 CO 0.04 0.03 -0.07 1.14 -1.34 0.00 0.00 175.22 175.02 1gya s GLN 25 N -1.60 0.50 0.75 1.99 1.03 -1.26 -5.09 119.66 115.98 1gya s GLN 25 Ca -0.03 -0.71 -0.16 0.00 0.04 0.00 0.00 55.36 54.51 1gya s GLN 25 Cb -0.10 -0.27 -0.03 0.00 0.03 0.00 0.00 33.01 32.65 1gya s GLN 25 CO 0.02 0.05 0.51 0.00 -2.54 0.00 0.00 175.29 173.32 1gya n MET 26 N 1.58 0.23 0.00 9.60 0.00 -1.26 -4.88 117.12 122.38 1gya n MET 26 Ca -0.22 0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.60 1gya n MET 26 Cb 0.55 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 31.94 1gya n MET 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1gya n SER 27 N -0.40 0.00 0.31 3.17 7.64 -1.26 -5.02 113.62 118.05 1gya n SER 27 Ca 0.10 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.83 1gya n SER 27 Cb 0.50 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 1gya n SER 27 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1gya h ASP 28 N 0.00 -0.68 -0.26 6.43 2.03 -2.08 -3.42 116.42 118.44 1gya h ASP 28 Ca 0.00 -0.03 -0.25 0.00 -0.73 0.00 0.00 57.03 56.02 1gya h ASP 28 Cb 0.00 0.18 -0.22 0.00 -0.83 0.00 0.00 39.33 38.46 1gya h ASP 28 CO 0.00 -0.31 -0.57 0.47 -1.03 0.00 0.00 179.24 177.79 1gya n ASP 29 N -5.34 -1.00 -4.83 4.15 8.00 -1.26 -5.11 116.55 111.17 1gya n ASP 29 Ca -0.11 -2.51 -0.37 0.00 0.71 0.00 0.00 54.79 52.51 1gya n ASP 29 Cb 0.34 0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 41.98 1gya n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1gya s ILE 30 N -0.69 4.81 0.00 0.53 1.01 -1.26 -3.34 121.20 122.25 1gya s ILE 30 Ca 0.23 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.90 1gya s ILE 30 Cb 0.42 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1gya s ILE 30 CO -0.06 0.40 0.00 -0.67 0.00 0.00 0.00 174.94 174.61 1gya n ASP 31 N 1.27 1.57 -4.32 3.58 2.03 -1.18 -4.78 116.55 114.71 1gya n ASP 31 Ca -0.08 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.97 1gya n ASP 31 Cb 0.51 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.79 1gya n ASP 31 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1gya s ASP 32 N -3.76 2.81 -0.19 1.67 1.11 0.19 -4.54 116.67 113.96 1gya s ASP 32 Ca 0.00 -0.71 -0.04 0.00 0.18 0.00 0.00 52.55 51.98 1gya s ASP 32 Cb 0.00 -0.17 0.09 0.00 1.07 0.00 0.00 42.92 43.91 1gya s ASP 32 CO 0.00 0.10 0.21 -0.63 1.18 0.00 0.00 175.17 176.03 1gya s ILE 33 N -1.14 -0.32 0.05 0.77 1.09 -1.05 -0.53 121.20 120.07 1gya s ILE 33 Ca 0.09 -0.08 0.06 0.00 -1.10 0.00 0.00 60.65 59.62 1gya s ILE 33 Cb -0.10 -0.64 -0.03 0.00 -1.06 0.00 0.00 42.46 40.62 1gya s ILE 33 CO 0.05 -0.18 -0.13 -0.75 -0.10 0.00 0.00 174.94 173.84 1gya s LYS 34 N 2.32 2.23 -0.04 2.79 2.20 -0.47 -0.97 119.74 127.80 1gya s LYS 34 Ca 0.06 -0.91 -0.01 0.00 -0.36 0.00 0.00 55.97 54.75 1gya s LYS 34 Cb -0.15 -2.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1gya s LYS 34 CO -0.11 0.55 0.03 -1.58 -0.36 0.00 0.00 175.35 173.88 1gya s TRP 35 N -1.02 0.22 0.35 4.03 0.52 0.08 -1.52 118.94 121.61 1gya s TRP 35 Ca 0.17 0.10 0.09 0.00 0.02 0.00 0.00 56.10 56.48 1gya s TRP 35 Cb -0.11 -0.47 -0.06 0.00 -1.15 0.00 0.00 33.47 31.68 1gya s TRP 35 CO 0.08 -0.18 0.03 -1.83 0.02 0.00 0.00 176.95 175.07 1gya s GLU 36 N 1.66 2.08 -0.77 4.98 -1.05 -1.08 -2.16 118.70 122.36 1gya s GLU 36 Ca -0.01 -1.80 -0.09 0.00 -0.15 0.00 0.00 54.97 52.92 1gya s GLU 36 Cb -0.13 -1.91 0.20 0.00 -0.44 0.00 0.00 34.13 31.86 1gya s GLU 36 CO -0.03 0.09 0.67 -1.59 0.95 0.00 0.00 175.26 175.35 1gya s LYS 37 N -3.74 3.25 0.63 -4.83 -2.85 -0.92 -2.61 119.74 108.67 1gya s LYS 37 Ca 0.35 -2.56 0.23 0.00 -1.00 0.00 0.00 55.97 52.99 1gya s LYS 37 Cb 0.01 -4.17 1.08 0.00 -2.06 0.00 0.00 37.83 32.70 1gya s LYS 37 CO 0.20 -1.25 1.57 1.79 0.10 0.00 0.00 175.35 177.76 1gya h THR 38 N 4.87 0.11 -0.01 3.79 1.35 -0.81 0.37 112.91 122.57 1gya h THR 38 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1gya h THR 38 Cb 0.99 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1gya h THR 38 CO 0.75 0.00 -0.05 -1.28 -0.25 0.00 0.00 175.52 174.69 1gya h SER 39 N 0.00 -0.15 -0.58 5.36 0.87 -1.92 -2.95 113.55 114.17 1gya h SER 39 Ca 0.18 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1gya h SER 39 Cb 1.65 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 1gya h SER 39 CO -0.00 -0.04 0.00 -0.90 -0.53 0.00 0.00 176.83 175.36 1gya n ASP 40 N -2.83 5.01 -3.89 6.23 5.75 -0.97 -4.97 116.55 120.89 1gya n ASP 40 Ca -0.00 -2.66 -0.34 0.00 -0.01 0.00 0.00 54.79 51.77 1gya n ASP 40 Cb 0.03 -0.61 0.01 0.00 -1.03 0.00 0.00 41.12 39.53 1gya n ASP 40 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1gya n LYS 41 N 0.79 -1.39 -3.96 0.11 2.85 0.08 -4.95 118.16 111.70 1gya n LYS 41 Ca 0.26 0.32 -0.28 0.00 -1.05 0.00 0.00 58.31 57.55 1gya n LYS 41 Cb 0.99 -3.74 -0.17 0.00 -0.65 0.00 0.00 35.03 31.46 1gya n LYS 41 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1gya s LYS 42 N -6.59 1.85 0.58 -1.58 2.20 -1.15 -4.86 119.74 110.19 1gya s LYS 42 Ca 0.35 -0.38 -0.18 0.00 -0.36 0.00 0.00 55.97 55.40 1gya s LYS 42 Cb -0.15 -1.80 -0.12 0.00 -1.51 0.00 0.00 37.83 34.25 1gya s LYS 42 CO 0.91 -0.25 0.08 1.63 -0.36 0.00 0.00 175.35 177.36 1gya n LYS 43 N 4.86 0.18 0.00 4.03 4.01 -1.26 -2.16 118.16 127.82 1gya n LYS 43 Ca -0.14 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1gya n LYS 43 Cb 0.50 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.74 1gya n LYS 43 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1gya n ILE 44 N -1.71 0.00 -3.92 -0.18 -5.35 -0.92 -4.76 119.36 102.52 1gya n ILE 44 Ca 0.09 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.46 1gya n ILE 44 Cb 0.48 -0.15 -0.12 0.00 -1.74 0.00 0.00 39.64 38.11 1gya n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gya s ALA 45 N -1.32 -0.00 -0.13 -1.28 0.00 -1.04 -4.77 121.76 113.21 1gya s ALA 45 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 1gya s ALA 45 Cb 0.00 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.26 1gya s ALA 45 CO 0.00 -0.10 0.77 -1.14 0.00 0.00 0.00 175.76 175.29 1gya s GLN 46 N -0.80 0.89 -0.15 0.00 0.74 -1.08 -0.74 119.66 118.53 1gya s GLN 46 Ca -0.09 0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.75 1gya s GLN 46 Cb -0.05 0.42 0.01 0.00 1.10 0.00 0.00 33.01 34.49 1gya s GLN 46 CO -0.00 -0.24 -0.21 0.12 -0.55 0.00 0.00 175.29 174.41 1gya s PHE 47 N -0.76 2.66 -0.41 1.67 2.19 -0.15 -2.31 117.98 120.87 1gya s PHE 47 Ca -0.06 -1.43 0.04 0.00 0.33 0.00 0.00 56.93 55.81 1gya s PHE 47 Cb -0.01 -1.82 0.17 0.00 -1.31 0.00 0.00 43.02 40.04 1gya s PHE 47 CO 0.06 -0.68 0.39 0.50 1.83 0.00 0.00 175.22 177.32 1gya s ARG 48 N 1.01 0.82 0.52 10.12 3.52 -1.26 -2.51 118.95 131.18 1gya s ARG 48 Ca -0.02 -1.53 0.00 0.00 -0.13 0.00 0.00 55.73 54.04 1gya s ARG 48 Cb -0.14 -1.01 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 1gya s ARG 48 CO -0.06 -1.31 0.00 1.63 -0.81 0.00 0.00 175.30 174.75 1gya n LYS 49 N 3.36 -2.84 -0.61 5.12 5.02 -1.26 -4.08 118.16 122.86 1gya n LYS 49 Ca 0.21 2.32 -0.09 0.00 -2.02 0.00 0.00 58.31 58.74 1gya n LYS 49 Cb 0.47 -3.28 0.03 0.00 -0.02 0.00 0.00 35.03 32.24 1gya n LYS 49 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1gya n GLU 50 N -3.87 1.43 0.00 1.97 4.07 -1.26 -3.63 120.64 119.35 1gya n GLU 50 Ca -0.08 -0.88 0.00 0.00 -0.06 0.00 0.00 57.16 56.15 1gya n GLU 50 Cb 0.56 -1.34 -0.00 0.00 -0.06 0.00 0.00 31.44 30.60 1gya n GLU 50 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1gya n LYS 51 N 0.60 5.14 -3.15 5.31 4.81 -1.26 -5.02 118.16 124.60 1gya n LYS 51 Ca 0.17 -0.12 0.06 0.00 -0.87 0.00 0.00 58.31 57.55 1gya n LYS 51 Cb 0.63 -0.63 -0.02 0.00 0.02 0.00 0.00 35.03 35.02 1gya n LYS 51 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1gya s GLU 52 N -0.84 0.00 0.37 1.64 2.56 -1.24 -5.18 118.70 116.01 1gya s GLU 52 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.97 54.98 1gya s GLU 52 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 34.13 36.14 1gya s GLU 52 CO 0.02 -0.00 0.01 2.41 -0.56 0.00 0.00 175.26 177.13 1gya n THR 53 N 5.49 0.00 -3.67 -1.70 -1.04 -1.26 -4.02 114.28 108.08 1gya n THR 53 Ca -0.10 -1.77 -0.27 0.00 -2.04 0.00 0.00 64.05 59.88 1gya n THR 53 Cb 0.55 0.37 -0.17 0.00 -1.82 0.00 0.00 70.33 69.26 1gya n THR 53 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1gya s PHE 54 N -2.37 0.59 -0.46 -1.42 5.36 -0.98 -5.01 117.98 113.69 1gya s PHE 54 Ca 0.01 -0.56 0.03 0.00 -0.96 0.00 0.00 56.93 55.45 1gya s PHE 54 Cb 0.00 -0.85 0.21 0.00 -0.34 0.00 0.00 43.02 42.05 1gya s PHE 54 CO 0.01 -0.55 0.89 0.36 -1.46 0.00 0.00 175.22 174.47 1gya n LYS 55 N 5.17 0.47 0.13 10.12 2.85 -1.26 -2.63 118.16 133.01 1gya n LYS 55 Ca -0.08 -1.59 0.07 0.00 -1.05 0.00 0.00 58.31 55.66 1gya n LYS 55 Cb 0.48 -1.03 0.03 0.00 -0.65 0.00 0.00 35.03 33.86 1gya n LYS 55 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1gya h GLU 56 N 4.44 0.00 -3.84 -1.58 4.11 -1.86 -3.48 114.58 112.37 1gya h GLU 56 Ca -0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.28 1gya h GLU 56 Cb 1.11 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.27 1gya h GLU 56 CO 0.04 0.19 -0.18 0.15 0.07 0.00 0.00 179.01 179.29 1gya s LYS 57 N -3.12 1.62 0.06 1.06 1.02 -1.26 -5.05 119.74 114.07 1gya s LYS 57 Ca 0.02 -1.42 0.19 0.00 0.02 0.00 0.00 55.97 54.78 1gya s LYS 57 Cb 0.08 0.45 -0.15 0.00 -0.52 0.00 0.00 37.83 37.69 1gya s LYS 57 CO 0.75 -0.67 0.75 -0.25 -0.92 0.00 0.00 175.35 175.02 1gya n ASP 58 N -0.65 0.63 -0.16 2.83 8.00 -1.26 -3.92 116.55 122.02 1gya n ASP 58 Ca -0.01 0.27 0.29 0.00 0.71 0.00 0.00 54.79 56.04 1gya n ASP 58 Cb 0.62 0.63 0.63 0.00 -0.02 0.00 0.00 41.12 42.98 1gya n ASP 58 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1gya h THR 59 N 0.00 0.19 -2.26 -3.53 2.02 -1.90 -3.03 112.91 104.40 1gya h THR 59 Ca -0.13 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.81 1gya h THR 59 Cb 1.39 0.29 -0.33 0.00 -1.74 0.00 0.00 68.15 67.77 1gya h THR 59 CO 0.02 0.00 -0.56 -0.31 0.37 0.00 0.00 175.52 175.04 1gya s TYR 60 N -4.61 -0.51 0.02 3.16 2.02 -1.25 -2.27 117.35 113.90 1gya s TYR 60 Ca -0.04 0.50 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 1gya s TYR 60 Cb 0.17 -0.19 -0.01 0.00 -0.40 0.00 0.00 41.96 41.52 1gya s TYR 60 CO 0.58 -0.65 -0.07 0.21 -1.57 0.00 0.00 175.55 174.05 1gya s LYS 61 N 2.42 0.52 0.44 -0.62 2.20 -0.84 -4.53 119.74 119.33 1gya s LYS 61 Ca 0.09 -0.49 -0.13 0.00 -0.36 0.00 0.00 55.97 55.08 1gya s LYS 61 Cb -0.16 -0.41 -0.07 0.00 -1.51 0.00 0.00 37.83 35.69 1gya s LYS 61 CO -0.14 0.10 0.85 -1.17 -0.36 0.00 0.00 175.35 174.63 1gya s LEU 62 N -0.85 3.77 0.38 5.43 0.20 -1.26 -1.80 118.68 124.54 1gya s LEU 62 Ca -0.03 1.32 0.04 0.00 0.69 0.00 0.00 54.13 56.15 1gya s LEU 62 Cb -0.06 -4.22 -0.05 0.00 -0.43 0.00 0.00 46.19 41.43 1gya s LEU 62 CO 0.00 -0.46 0.07 -0.36 -0.29 0.00 0.00 176.35 175.32 1gya s PHE 63 N -2.43 1.93 -0.01 5.38 0.08 -0.70 -4.92 117.98 117.32 1gya s PHE 63 Ca 0.55 -1.05 -0.24 0.00 0.12 0.00 0.00 56.93 56.31 1gya s PHE 63 Cb -0.10 -1.31 -0.16 0.00 -0.57 0.00 0.00 43.02 40.88 1gya s PHE 63 CO 0.30 -0.04 1.16 0.87 -0.10 0.00 0.00 175.22 177.40 1gya h LYS 64 N 1.91 -0.34 0.00 0.44 1.57 -1.99 -2.85 116.57 115.32 1gya h LYS 64 Ca -0.40 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1gya h LYS 64 Cb 1.26 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1gya h LYS 64 CO 0.67 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.82 1gya n ASN 65 N -5.08 0.54 0.00 0.86 0.23 -1.26 -4.81 115.26 105.75 1gya n ASN 65 Ca -0.09 0.74 0.00 0.00 -0.53 0.00 0.00 54.58 54.70 1gya n ASN 65 Cb 0.26 -0.81 0.00 0.00 -2.08 0.00 0.00 39.78 37.15 1gya n ASN 65 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1gya n GLY 66 N -1.20 1.74 3.95 4.83 0.00 -1.07 -4.75 105.19 108.70 1gya n GLY 66 Ca -0.01 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1gya n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gya s THR 67 N -2.00 3.14 -0.17 2.61 2.01 -1.26 -4.70 115.64 115.27 1gya s THR 67 Ca 0.00 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 1gya s THR 67 Cb 0.00 -3.21 0.05 0.00 0.01 0.00 0.00 72.50 69.35 1gya s THR 67 CO 0.00 -0.18 0.04 -0.22 -0.69 0.00 0.00 174.62 173.57 1gya s LEU 68 N -4.84 0.94 0.56 4.42 2.96 0.38 -1.71 118.68 121.39 1gya s LEU 68 Ca 0.55 -0.67 -0.10 0.00 -0.22 0.00 0.00 54.13 53.69 1gya s LEU 68 Cb -0.10 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 1gya s LEU 68 CO 0.41 -0.30 0.94 -1.59 -1.32 0.00 0.00 176.35 174.49 1gya s LYS 69 N 1.93 3.63 -0.10 1.98 0.00 -0.74 0.17 119.74 126.60 1gya s LYS 69 Ca 0.00 0.59 -0.02 0.00 0.00 0.00 0.00 55.97 56.55 1gya s LYS 69 Cb -0.16 -2.19 0.04 0.00 0.00 0.00 0.00 37.83 35.51 1gya s LYS 69 CO -0.08 -0.40 0.01 0.42 0.00 0.00 0.00 175.35 175.30 1gya s ILE 70 N -2.95 0.41 -0.02 3.79 1.01 0.24 -1.99 121.20 121.69 1gya s ILE 70 Ca 0.53 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.96 1gya s ILE 70 Cb -0.11 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 1gya s ILE 70 CO 0.48 0.15 0.50 -0.75 0.00 0.00 0.00 174.94 175.31 1gya s LYS 71 N 1.95 4.18 -0.12 2.79 2.47 -0.96 -0.84 119.74 129.20 1gya s LYS 71 Ca 0.04 0.55 -0.09 0.00 -1.56 0.00 0.00 55.97 54.91 1gya s LYS 71 Cb -0.13 -3.31 0.03 0.00 -1.46 0.00 0.00 37.83 32.96 1gya s LYS 71 CO -0.06 0.47 0.17 1.58 0.16 0.00 0.00 175.35 177.67 1gya n HIS 72 N 2.49 -3.53 -4.36 4.03 -0.00 -1.25 -4.61 115.22 107.99 1gya n HIS 72 Ca -0.10 2.06 -0.20 0.00 -0.00 0.00 0.00 57.72 59.48 1gya n HIS 72 Cb 0.52 -3.26 -0.07 0.00 -0.00 0.00 0.00 29.99 27.18 1gya n HIS 72 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 1gya n LEU 73 N 1.92 0.00 0.00 0.27 -0.00 -0.03 -4.85 117.00 114.30 1gya n LEU 73 Ca -0.29 -2.80 0.00 0.00 -0.00 0.00 0.00 56.01 52.92 1gya n LEU 73 Cb 0.45 1.18 0.00 0.00 -0.00 0.00 0.00 43.42 45.04 1gya n LEU 73 CO 0.27 -0.45 0.00 0.29 -0.00 0.00 0.00 177.39 177.50 1gya n LYS 74 N -0.71 0.00 0.20 1.47 5.02 -1.26 -0.23 118.16 122.65 1gya n LYS 74 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1gya n LYS 74 Cb 0.54 0.00 0.31 0.00 -0.02 0.00 0.00 35.03 35.87 1gya n LYS 74 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1gya h THR 75 N 0.00 0.49 0.03 -0.18 2.02 -1.95 -3.30 112.91 110.02 1gya h THR 75 Ca 0.00 -1.34 -0.23 0.00 0.77 0.00 0.00 66.41 65.61 1gya h THR 75 Cb 0.00 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1gya h THR 75 CO 0.00 0.24 -1.00 0.44 0.37 0.00 0.00 175.52 175.56 1gya h ASP 76 N 0.00 0.41 0.31 4.18 3.32 -2.01 -3.21 116.42 119.42 1gya h ASP 76 Ca -0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1gya h ASP 76 Cb 0.94 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1gya h ASP 76 CO 0.03 1.19 0.00 -0.67 -1.72 0.00 0.00 179.24 178.07 1gya n ASP 77 N -3.66 0.00 -4.72 6.45 2.03 -1.24 -4.71 116.55 110.70 1gya n ASP 77 Ca -0.06 0.10 -0.43 0.00 0.52 0.00 0.00 54.79 54.93 1gya n ASP 77 Cb 0.88 -0.30 -0.02 0.00 -0.72 0.00 0.00 41.12 40.95 1gya n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gya n GLN 78 N -1.30 2.62 -4.01 -0.67 3.00 -1.21 -4.93 117.38 110.87 1gya n GLN 78 Ca 0.07 0.94 -0.13 0.00 -0.01 0.00 0.00 57.00 57.86 1gya n GLN 78 Cb 0.13 -2.73 -0.02 0.00 0.00 0.00 0.00 30.24 27.62 1gya n GLN 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1gya s ASP 79 N 0.74 0.75 -0.01 1.08 1.11 -1.26 -5.03 116.67 114.05 1gya s ASP 79 Ca 0.69 -1.43 -0.00 0.00 0.18 0.00 0.00 52.55 51.99 1gya s ASP 79 Cb -0.53 0.73 -0.04 0.00 1.07 0.00 0.00 42.92 44.15 1gya s ASP 79 CO 0.42 -1.43 0.08 -0.63 1.18 0.00 0.00 175.17 174.79 1gya s ILE 80 N -2.75 4.72 0.12 0.77 1.01 -1.26 -1.36 121.20 122.45 1gya s ILE 80 Ca 0.27 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 1gya s ILE 80 Cb -0.02 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1gya s ILE 80 CO 0.19 0.36 0.16 -0.31 0.00 0.00 0.00 174.94 175.34 1gya s TYR 81 N -1.18 0.48 -0.28 3.97 1.51 -1.08 -0.15 117.35 120.61 1gya s TYR 81 Ca 0.23 -0.88 -0.19 0.00 -1.01 0.00 0.00 57.07 55.21 1gya s TYR 81 Cb -0.12 -0.21 0.08 0.00 -0.11 0.00 0.00 41.96 41.60 1gya s TYR 81 CO 0.13 -0.59 0.71 0.21 -1.11 0.00 0.00 175.55 174.91 1gya s LYS 82 N -3.96 0.75 -0.25 -0.62 2.36 -1.07 -0.20 119.74 116.74 1gya s LYS 82 Ca 0.15 1.12 -0.09 0.00 -2.55 0.00 0.00 55.97 54.60 1gya s LYS 82 Cb 0.05 0.24 -0.04 0.00 -1.05 0.00 0.00 37.83 37.03 1gya s LYS 82 CO -0.03 -0.13 0.12 0.54 1.55 0.00 0.00 175.35 177.40 1gya s VAL 83 N 1.15 4.85 -0.29 4.02 0.11 -0.13 -2.62 120.40 127.49 1gya s VAL 83 Ca -0.06 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1gya s VAL 83 Cb -0.05 -3.28 0.07 0.00 -1.53 0.00 0.00 36.38 31.59 1gya s VAL 83 CO -0.12 0.32 -0.06 -0.94 -3.33 0.00 0.00 175.10 170.97 1gya s SER 84 N 1.49 4.58 -0.20 3.54 1.04 -0.57 -2.14 113.70 121.44 1gya s SER 84 Ca 0.06 -1.57 -0.01 0.00 0.48 0.00 0.00 55.95 54.92 1gya s SER 84 Cb -0.15 -1.59 0.01 0.00 0.10 0.00 0.00 66.02 64.39 1gya s SER 84 CO 0.06 -0.25 -0.13 -0.63 0.98 0.00 0.00 173.24 173.27 1gya s ILE 85 N 1.07 2.58 0.24 -1.02 1.01 -1.07 -1.37 121.20 122.65 1gya s ILE 85 Ca -0.04 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 59.92 1gya s ILE 85 Cb -0.20 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1gya s ILE 85 CO -0.05 0.47 -0.09 -0.31 0.00 0.00 0.00 174.94 174.95 1gya s TYR 86 N 1.36 2.55 0.33 3.97 1.51 0.30 -3.25 117.35 124.12 1gya s TYR 86 Ca 0.05 -0.26 -0.06 0.00 -1.01 0.00 0.00 57.07 55.79 1gya s TYR 86 Cb -0.14 -1.16 0.08 0.00 -0.11 0.00 0.00 41.96 40.63 1gya s TYR 86 CO -0.09 0.61 0.39 -0.40 -1.11 0.00 0.00 175.55 174.95 1gya n ASP 87 N -0.52 -0.46 0.27 2.29 5.68 -1.06 -0.64 116.55 122.11 1gya n ASP 87 Ca -0.07 -0.99 0.13 0.00 -0.50 0.00 0.00 54.79 53.36 1gya n ASP 87 Cb 0.58 -0.32 0.83 0.00 -1.14 0.00 0.00 41.12 41.08 1gya n ASP 87 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1gya h THR 88 N -1.47 0.66 -0.31 2.12 1.35 -1.86 -2.65 112.91 110.75 1gya h THR 88 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1gya h THR 88 Cb 0.38 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1gya h THR 88 CO 0.09 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.65 1gya n LYS 89 N -4.05 2.95 -1.12 4.72 4.76 -1.26 -4.85 118.16 119.31 1gya n LYS 89 Ca -0.02 -1.62 -0.04 0.00 -2.87 0.00 0.00 58.31 53.75 1gya n LYS 89 Cb 0.12 -1.86 -0.02 0.00 -1.84 0.00 0.00 35.03 31.43 1gya n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gya n GLY 90 N 0.39 0.56 3.63 0.72 0.00 -1.00 -4.95 105.19 104.53 1gya n GLY 90 Ca 0.14 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1gya n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gya s LYS 91 N -1.89 4.11 -0.69 1.61 1.02 -1.26 -4.89 119.74 117.75 1gya s LYS 91 Ca 0.00 0.51 -0.25 0.00 0.02 0.00 0.00 55.97 56.24 1gya s LYS 91 Cb 0.00 -3.65 -0.13 0.00 -0.52 0.00 0.00 37.83 33.54 1gya s LYS 91 CO 0.00 -0.39 2.42 0.27 -0.92 0.00 0.00 175.35 176.72 1gya n ASN 92 N 5.65 1.81 0.13 2.83 2.04 -1.26 -2.58 115.26 123.89 1gya n ASN 92 Ca -0.01 -1.04 0.01 0.00 -0.44 0.00 0.00 54.58 53.10 1gya n ASN 92 Cb 0.49 -1.57 0.08 0.00 -2.53 0.00 0.00 39.78 36.25 1gya n ASN 92 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 1gya h VAL 93 N 7.68 1.12 -2.15 3.53 -1.51 -1.91 -3.46 116.25 119.55 1gya h VAL 93 Ca -0.09 -2.33 0.05 0.00 -1.23 0.00 0.00 66.70 63.09 1gya h VAL 93 Cb 1.12 2.38 -0.18 0.00 -2.13 0.00 0.00 31.29 32.49 1gya h VAL 93 CO 1.10 0.59 0.40 -0.22 -1.23 0.00 0.00 177.57 178.21 1gya s LEU 94 N -6.76 -0.46 0.12 4.19 2.96 -1.23 -5.09 118.68 112.41 1gya s LEU 94 Ca 0.02 0.26 -0.18 0.00 -0.22 0.00 0.00 54.13 54.01 1gya s LEU 94 Cb 0.09 2.18 0.04 0.00 0.50 0.00 0.00 46.19 49.01 1gya s LEU 94 CO 0.75 -0.60 0.44 -1.83 -1.32 0.00 0.00 176.35 173.79 1gya s GLU 95 N -2.28 1.09 -0.16 1.98 1.03 -1.26 -2.59 118.70 116.50 1gya s GLU 95 Ca -0.01 -0.62 -0.32 0.00 0.03 0.00 0.00 54.97 54.06 1gya s GLU 95 Cb -0.01 0.49 0.14 0.00 -0.80 0.00 0.00 34.13 33.95 1gya s GLU 95 CO -0.03 -0.43 1.12 -1.59 -1.33 0.00 0.00 175.26 173.00 1gya s LYS 96 N -3.62 0.44 0.13 -4.83 -2.85 -0.91 -5.02 119.74 103.08 1gya s LYS 96 Ca 0.02 -0.07 0.05 0.00 -1.00 0.00 0.00 55.97 54.96 1gya s LYS 96 Cb 0.01 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 1gya s LYS 96 CO -0.11 -0.17 0.09 0.42 0.10 0.00 0.00 175.35 175.68 1gya s ILE 97 N -2.05 4.38 0.20 3.79 1.01 -1.25 -0.96 121.20 126.32 1gya s ILE 97 Ca 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1gya s ILE 97 Cb -0.01 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 1gya s ILE 97 CO -0.05 -0.00 0.05 -0.36 0.00 0.00 0.00 174.94 174.58 1gya s PHE 98 N -1.58 1.28 -0.34 3.97 0.40 0.73 -1.48 117.98 120.97 1gya s PHE 98 Ca 0.29 -1.12 0.05 0.00 -0.60 0.00 0.00 56.93 55.55 1gya s PHE 98 Cb -0.11 -0.73 0.18 0.00 0.51 0.00 0.00 43.02 42.87 1gya s PHE 98 CO 0.22 -0.32 0.52 -0.51 0.70 0.00 0.00 175.22 175.83 1gya s ASP 99 N -3.21 -0.57 0.49 1.36 1.01 -1.18 -2.64 116.67 111.94 1gya s ASP 99 Ca 0.30 -0.57 -0.21 0.00 0.71 0.00 0.00 52.55 52.77 1gya s ASP 99 Cb 0.07 1.51 -0.09 0.00 1.01 0.00 0.00 42.92 45.42 1gya s ASP 99 CO 0.08 -0.27 0.85 -0.11 0.21 0.00 0.00 175.17 175.92 1gya n LEU 100 N 4.89 2.17 0.00 1.23 7.94 -0.46 -3.35 117.00 129.41 1gya n LEU 100 Ca 0.07 0.91 -0.13 0.00 -1.11 0.00 0.00 56.01 55.74 1gya n LEU 100 Cb 0.52 -1.30 -0.04 0.00 0.53 0.00 0.00 43.42 43.13 1gya n LEU 100 CO -0.00 -2.05 0.04 0.29 -1.11 0.00 0.00 177.39 174.56 1gya n LYS 101 N -0.10 0.46 -3.71 1.96 5.02 0.16 -4.40 118.16 117.55 1gya n LYS 101 Ca 0.11 -2.42 -0.10 0.00 -2.02 0.00 0.00 58.31 53.88 1gya n LYS 101 Cb 0.43 2.17 -0.05 0.00 -0.02 0.00 0.00 35.03 37.55 1gya n LYS 101 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1gya s ILE 102 N -2.88 0.09 -0.00 -0.18 1.01 -1.26 -0.95 121.20 117.02 1gya s ILE 102 Ca 0.27 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1gya s ILE 102 Cb 0.00 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 1gya s ILE 102 CO 0.19 -0.42 -0.03 -1.58 0.00 0.00 0.00 174.94 173.10 1gya s GLN 103 N -3.83 0.23 -0.47 2.79 -0.44 -1.24 -4.87 119.66 111.84 1gya s GLN 103 Ca 0.04 -0.12 0.07 0.00 -2.50 0.00 0.00 55.36 52.85 1gya s GLN 103 Cb 0.03 -0.22 0.18 0.00 -1.64 0.00 0.00 33.01 31.37 1gya s GLN 103 CO -0.11 0.06 0.67 -1.83 0.50 0.00 0.00 175.29 174.58 1gya s GLU 104 N -0.11 0.96 0.00 1.67 -1.05 -1.26 -4.78 118.70 114.13 1gya s GLU 104 Ca 0.01 -0.74 0.26 0.00 -0.15 0.00 0.00 54.97 54.34 1gya s GLU 104 Cb -0.01 -0.02 0.66 0.00 -0.44 0.00 0.00 34.13 34.31 1gya s GLU 104 CO -0.00 -1.27 1.52 -2.13 0.95 0.00 0.00 175.26 174.33