#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiw s ASP 2 N 0.00 3.48 -0.08 3.17 -0.00 -1.26 -4.95 116.67 117.03 1xiw s ASP 2 Ca 0.00 2.24 -0.29 0.00 -0.00 0.00 0.00 52.55 54.50 1xiw s ASP 2 Cb 0.00 -2.57 -0.02 0.00 -0.00 0.00 0.00 42.92 40.33 1xiw s ASP 2 CO 0.00 -2.74 0.97 -0.63 -0.00 0.00 0.00 175.17 172.77 1xiw s ILE 3 N -2.41 4.83 -0.15 0.77 1.01 -1.26 -5.03 121.20 118.96 1xiw s ILE 3 Ca 0.69 1.98 -0.15 0.00 0.00 0.00 0.00 60.65 63.17 1xiw s ILE 3 Cb -0.25 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1xiw s ILE 3 CO 0.53 0.07 0.35 -1.58 0.00 0.00 0.00 174.94 174.31 1xiw s GLN 4 N 1.66 4.27 -0.10 2.79 0.74 -1.26 -4.78 119.66 122.98 1xiw s GLN 4 Ca 0.48 0.20 -0.02 0.00 0.05 0.00 0.00 55.36 56.07 1xiw s GLN 4 Cb -0.19 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.45 1xiw s GLN 4 CO 0.20 0.18 -0.02 -1.64 -0.55 0.00 0.00 175.29 173.46 1xiw s MET 5 N 0.61 3.16 0.01 1.67 -1.94 -1.26 -0.95 119.30 120.60 1xiw s MET 5 Ca 0.19 -0.47 0.02 0.00 -1.71 0.00 0.00 55.69 53.72 1xiw s MET 5 Cb -0.14 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 33.90 1xiw s MET 5 CO 0.06 0.55 -0.06 0.95 -0.01 0.00 0.00 175.02 176.51 1xiw s THR 6 N -0.47 0.43 -0.41 2.05 -4.23 0.61 -4.24 115.64 109.39 1xiw s THR 6 Ca 0.08 -0.48 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 1xiw s THR 6 Cb -0.12 -0.41 0.12 0.00 1.34 0.00 0.00 72.50 73.42 1xiw s THR 6 CO 0.02 -0.04 0.16 -1.10 -0.54 0.00 0.00 174.62 173.12 1xiw s GLN 7 N -0.57 1.42 0.57 3.99 -0.21 -1.26 -0.28 119.66 123.32 1xiw s GLN 7 Ca -0.02 -1.96 0.27 0.00 0.02 0.00 0.00 55.36 53.67 1xiw s GLN 7 Cb -0.04 -2.79 1.54 0.00 1.00 0.00 0.00 33.01 32.72 1xiw s GLN 7 CO -0.00 -1.05 2.04 1.79 -2.12 0.00 0.00 175.29 175.95 1xiw h THR 8 N 5.94 0.53 -3.25 -0.19 1.35 -1.94 -3.36 112.91 111.98 1xiw h THR 8 Ca -0.06 0.00 -0.71 0.00 -0.55 0.00 0.00 66.41 65.09 1xiw h THR 8 Cb 0.96 0.78 -0.20 0.00 -1.73 0.00 0.00 68.15 67.96 1xiw h THR 8 CO 0.55 0.00 -0.09 -0.89 -0.25 0.00 0.00 175.52 174.84 1xiw s THR 9 N -4.74 5.00 0.17 6.82 2.01 -1.26 -4.92 115.64 118.72 1xiw s THR 9 Ca -0.05 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.29 1xiw s THR 9 Cb 0.16 -4.25 -0.15 0.00 0.01 0.00 0.00 72.50 68.28 1xiw s THR 9 CO 0.59 -0.74 1.38 0.77 -0.69 0.00 0.00 174.62 175.94 1xiw h SER 10 N 8.92 0.09 -4.24 3.53 4.64 -1.79 -3.39 113.55 121.30 1xiw h SER 10 Ca -0.28 -0.08 -0.22 0.00 -0.47 0.00 0.00 61.79 60.74 1xiw h SER 10 Cb 1.10 -0.03 -0.25 0.00 -0.31 0.00 0.00 62.40 62.91 1xiw h SER 10 CO 0.94 0.92 -0.72 -0.44 -0.87 0.00 0.00 176.83 176.67 1xiw s SER 11 N -6.83 0.18 -0.05 4.97 0.01 -1.26 -0.97 113.70 109.75 1xiw s SER 11 Ca -0.01 -0.21 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 1xiw s SER 11 Cb 0.11 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.40 1xiw s SER 11 CO 0.81 -0.11 0.11 -0.22 0.41 0.00 0.00 173.24 174.24 1xiw s LEU 12 N -0.61 0.95 -0.04 2.44 2.96 0.17 -4.91 118.68 119.64 1xiw s LEU 12 Ca -0.06 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1xiw s LEU 12 Cb -0.04 0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.86 1xiw s LEU 12 CO -0.00 -0.13 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.41 1xiw s SER 13 N 0.98 4.76 0.34 3.68 0.01 -1.26 -0.44 113.70 121.77 1xiw s SER 13 Ca -0.08 -0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 1xiw s SER 13 Cb -0.10 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1xiw s SER 13 CO -0.04 0.33 0.48 0.00 0.41 0.00 0.00 173.24 174.41 1xiw s ALA 14 N -0.91 0.73 0.16 1.44 0.00 -0.19 -4.94 121.76 118.04 1xiw s ALA 14 Ca 0.15 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 50.69 1xiw s ALA 14 Cb -0.11 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 1xiw s ALA 14 CO 0.05 -0.79 -0.05 -1.12 0.00 0.00 0.00 175.76 173.84 1xiw s SER 15 N -3.23 4.54 0.29 0.00 0.01 -1.26 -4.33 113.70 109.72 1xiw s SER 15 Ca 0.30 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.81 1xiw s SER 15 Cb -0.00 -0.89 -0.12 0.00 0.21 0.00 0.00 66.02 65.21 1xiw s SER 15 CO 0.20 0.11 1.49 0.18 0.41 0.00 0.00 173.24 175.63 1xiw n LEU 16 N 0.10 3.92 0.00 2.44 4.77 -1.26 -1.72 117.00 125.24 1xiw n LEU 16 Ca -0.11 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1xiw n LEU 16 Cb 0.55 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1xiw n LEU 16 CO 0.36 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1xiw n GLY 17 N 1.82 2.89 3.74 -0.72 0.00 0.13 -4.88 105.19 108.16 1xiw n GLY 17 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1xiw n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xiw s ASP 18 N -1.36 2.50 -0.08 1.61 1.01 -0.70 -3.94 116.67 115.72 1xiw s ASP 18 Ca 0.00 0.76 0.03 0.00 0.71 0.00 0.00 52.55 54.05 1xiw s ASP 18 Cb 0.00 -1.15 0.01 0.00 1.01 0.00 0.00 42.92 42.79 1xiw s ASP 18 CO 0.00 -3.16 -0.16 -0.60 0.21 0.00 0.00 175.17 171.46 1xiw s ARG 19 N -5.39 2.21 0.31 8.23 3.52 -1.26 -0.67 118.95 125.90 1xiw s ARG 19 Ca 0.68 -0.58 0.06 0.00 -0.13 0.00 0.00 55.73 55.76 1xiw s ARG 19 Cb -0.12 -1.77 -0.06 0.00 -1.56 0.00 0.00 34.95 31.44 1xiw s ARG 19 CO 0.55 0.06 -0.02 0.14 -0.81 0.00 0.00 175.30 175.21 1xiw s VAL 20 N 0.63 1.59 -0.03 7.11 -7.23 -0.39 -4.97 120.40 117.11 1xiw s VAL 20 Ca -0.14 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 57.94 1xiw s VAL 20 Cb -0.16 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.21 1xiw s VAL 20 CO 0.04 -0.19 0.01 -0.89 -0.31 0.00 0.00 175.10 173.76 1xiw s THR 21 N -3.04 0.12 -0.19 5.32 2.01 -1.26 -1.02 115.64 117.58 1xiw s THR 21 Ca 0.32 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.40 1xiw s THR 21 Cb 0.06 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 1xiw s THR 21 CO 0.14 0.14 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.56 1xiw s ILE 22 N 1.10 3.96 0.21 1.82 1.01 0.66 -4.94 121.20 125.01 1xiw s ILE 22 Ca -0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 1xiw s ILE 22 Cb -0.13 -2.78 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 1xiw s ILE 22 CO -0.02 0.44 0.47 -0.94 0.00 0.00 0.00 174.94 174.90 1xiw s SER 23 N 0.83 6.51 -0.05 3.58 1.04 -1.26 -0.91 113.70 123.43 1xiw s SER 23 Ca 0.00 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.10 1xiw s SER 23 Cb -0.14 -2.13 0.02 0.00 0.10 0.00 0.00 66.02 63.86 1xiw s SER 23 CO 0.02 -0.06 0.12 0.00 0.98 0.00 0.00 173.24 174.30 1xiw s ARG 25 N 0.46 1.10 0.12 0.00 6.06 0.61 -1.07 118.95 126.22 1xiw s ARG 25 Ca -0.03 -0.52 0.05 0.00 -2.50 0.00 0.00 55.73 52.73 1xiw s ARG 25 Cb -0.05 -1.06 -0.04 0.00 0.06 0.00 0.00 34.95 33.86 1xiw s ARG 25 CO -0.02 0.29 0.06 0.00 -2.50 0.00 0.00 175.30 173.13 1xiw s ALA 26 N -0.37 3.43 -0.69 6.12 0.00 0.41 -0.28 121.76 130.38 1xiw s ALA 26 Ca 0.05 -1.15 0.26 0.00 0.00 0.00 0.00 51.96 51.12 1xiw s ALA 26 Cb -0.06 -1.28 0.83 0.00 0.00 0.00 0.00 23.12 22.62 1xiw s ALA 26 CO -0.00 0.63 1.77 -1.13 0.00 0.00 0.00 175.76 177.02 1xiw n SER 27 N 0.19 0.82 -4.11 0.00 3.41 -0.13 -4.78 113.62 109.01 1xiw n SER 27 Ca -0.09 0.59 -0.08 0.00 -0.26 0.00 0.00 58.87 59.03 1xiw n SER 27 Cb 0.53 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 1xiw n SER 27 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xiw s GLN 28 N -3.14 0.73 0.10 4.33 -0.21 -1.26 -4.96 119.66 115.24 1xiw s GLN 28 Ca 0.10 -1.30 -0.31 0.00 0.02 0.00 0.00 55.36 53.86 1xiw s GLN 28 Cb 0.12 0.22 -0.09 0.00 1.00 0.00 0.00 33.01 34.26 1xiw s GLN 28 CO 0.57 -0.17 1.65 0.34 -2.12 0.00 0.00 175.29 175.56 1xiw s ASP 29 N -2.97 6.59 -0.08 5.90 2.15 -1.26 -4.57 116.67 122.43 1xiw s ASP 29 Ca 0.13 2.54 0.14 0.00 0.43 0.00 0.00 52.55 55.79 1xiw s ASP 29 Cb 0.08 -2.57 0.43 0.00 -0.30 0.00 0.00 42.92 40.55 1xiw s ASP 29 CO -0.06 -0.88 1.35 2.30 -0.17 0.00 0.00 175.17 177.71 1xiw n ILE 30 N 4.55 1.55 -4.16 4.11 -5.35 -1.01 -4.99 119.36 114.07 1xiw n ILE 30 Ca 0.16 -1.34 -0.33 0.00 -0.27 0.00 0.00 62.75 60.97 1xiw n ILE 30 Cb 0.40 0.19 -0.03 0.00 -1.74 0.00 0.00 39.64 38.46 1xiw n ILE 30 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1xiw n ARG 31 N 0.20 -2.97 -0.82 6.28 1.74 -1.26 -1.81 116.66 118.01 1xiw n ARG 31 Ca 0.16 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1xiw n ARG 31 Cb 0.64 -4.79 0.00 0.00 -1.02 0.00 0.00 32.46 27.28 1xiw n ARG 31 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xiw n ASN 32 N -2.77 -1.04 -3.95 0.55 4.13 -1.26 -4.90 115.26 106.01 1xiw n ASN 32 Ca -0.07 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.76 1xiw n ASN 32 Cb 0.57 -1.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.48 1xiw n ASN 32 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1xiw n TYR 33 N -2.13 3.58 -4.27 3.10 4.01 -0.75 -2.53 117.16 118.17 1xiw n TYR 33 Ca 0.00 -2.93 -0.24 0.00 -0.16 0.00 0.00 57.90 54.57 1xiw n TYR 33 Cb 0.05 -2.30 -0.17 0.00 -0.31 0.00 0.00 39.34 36.62 1xiw n TYR 33 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xiw s LEU 34 N 1.47 1.40 0.15 7.72 1.98 -1.26 0.10 118.68 130.24 1xiw s LEU 34 Ca 0.45 -0.25 0.11 0.00 -2.89 0.00 0.00 54.13 51.54 1xiw s LEU 34 Cb 0.09 -0.72 -0.04 0.00 0.66 0.00 0.00 46.19 46.18 1xiw s LEU 34 CO -0.02 -0.04 -0.25 0.20 -1.89 0.00 0.00 176.35 174.35 1xiw s ASN 35 N 1.05 3.22 -0.05 3.68 0.01 -0.25 0.10 114.94 122.70 1xiw s ASN 35 Ca -0.08 -0.79 0.06 0.00 -0.71 0.00 0.00 52.86 51.34 1xiw s ASN 35 Cb -0.14 -0.22 -0.01 0.00 0.41 0.00 0.00 41.25 41.29 1xiw s ASN 35 CO -0.01 0.13 -0.25 0.26 -1.51 0.00 0.00 177.10 175.73 1xiw s TRP 36 N -1.35 2.40 0.12 2.20 0.52 0.07 -0.44 118.94 122.47 1xiw s TRP 36 Ca 0.16 -0.69 0.08 0.00 0.02 0.00 0.00 56.10 55.66 1xiw s TRP 36 Cb -0.09 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 1xiw s TRP 36 CO 0.07 -0.20 -0.18 0.71 0.02 0.00 0.00 176.95 177.37 1xiw s TYR 37 N -0.21 1.67 -0.14 -1.98 2.02 -0.02 -0.78 117.35 117.91 1xiw s TYR 37 Ca -0.02 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 1xiw s TYR 37 Cb -0.13 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.55 1xiw s TYR 37 CO 0.03 0.22 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.91 1xiw s GLN 38 N -2.32 3.16 -0.18 -0.62 0.74 -0.09 -1.36 119.66 118.97 1xiw s GLN 38 Ca 0.09 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.70 1xiw s GLN 38 Cb -0.08 -2.52 -0.00 0.00 1.10 0.00 0.00 33.01 31.51 1xiw s GLN 38 CO 0.05 0.06 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.58 1xiw s GLN 39 N 0.69 3.25 0.68 1.67 0.74 0.43 -1.33 119.66 125.79 1xiw s GLN 39 Ca -0.09 -0.71 -0.10 0.00 0.05 0.00 0.00 55.36 54.51 1xiw s GLN 39 Cb -0.16 -2.76 0.02 0.00 1.10 0.00 0.00 33.01 31.20 1xiw s GLN 39 CO 0.02 -0.10 1.05 0.15 -0.55 0.00 0.00 175.29 175.86 1xiw s LYS 40 N 1.13 2.84 0.56 1.67 -0.14 0.12 -1.11 119.74 124.80 1xiw s LYS 40 Ca 0.01 0.32 0.27 0.00 -1.36 0.00 0.00 55.97 55.21 1xiw s LYS 40 Cb -0.14 -2.09 1.48 0.00 -1.68 0.00 0.00 37.83 35.40 1xiw s LYS 40 CO -0.04 -0.97 1.99 -1.35 -0.76 0.00 0.00 175.35 174.22 1xiw h PRO 41 N -0.54 0.00 -0.00 -1.68 0.11 -1.89 0.45 132.00 128.45 1xiw h PRO 41 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xiw h PRO 41 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xiw h PRO 41 CO 0.63 0.00 -0.02 -0.40 -0.21 0.00 0.00 178.00 178.00 1xiw n ASP 42 N -4.08 0.08 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.09 1xiw n ASP 42 Ca 0.08 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 1xiw n ASP 42 Cb 0.57 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1xiw n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xiw n GLY 43 N 1.29 0.21 3.75 6.12 0.00 0.15 -5.06 105.19 111.65 1xiw n GLY 43 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1xiw n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xiw s THR 44 N -2.00 3.35 -0.05 2.61 -4.23 -1.26 -4.77 115.64 109.30 1xiw s THR 44 Ca 0.00 1.21 0.05 0.00 -1.18 0.00 0.00 61.69 61.77 1xiw s THR 44 Cb 0.00 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 1xiw s THR 44 CO 0.00 0.23 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.43 1xiw s VAL 45 N -0.45 2.65 0.02 2.29 1.01 -1.26 -0.70 120.40 123.96 1xiw s VAL 45 Ca 0.51 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1xiw s VAL 45 Cb -0.34 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1xiw s VAL 45 CO 0.40 0.58 -0.08 -0.54 0.00 0.00 0.00 175.10 175.46 1xiw s LYS 46 N -0.49 0.61 0.19 2.72 1.02 -0.44 -4.98 119.74 118.37 1xiw s LYS 46 Ca 0.06 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1xiw s LYS 46 Cb -0.12 -0.54 -0.08 0.00 -0.52 0.00 0.00 37.83 36.58 1xiw s LYS 46 CO 0.01 0.13 1.03 -1.17 -0.92 0.00 0.00 175.35 174.43 1xiw s LEU 47 N -0.78 4.54 -0.09 3.17 2.96 -1.26 -0.91 118.68 126.30 1xiw s LEU 47 Ca -0.01 2.01 -0.10 0.00 -0.22 0.00 0.00 54.13 55.81 1xiw s LEU 47 Cb -0.06 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1xiw s LEU 47 CO 0.00 -0.08 -0.21 0.18 -1.32 0.00 0.00 176.35 174.92 1xiw n LEU 48 N 2.10 1.49 -3.99 -0.68 4.77 0.04 -4.80 117.00 115.92 1xiw n LEU 48 Ca 0.01 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 56.07 1xiw n LEU 48 Cb 0.47 -0.55 -0.14 0.00 -2.33 0.00 0.00 43.42 40.87 1xiw n LEU 48 CO 0.52 -0.28 -0.41 -0.63 -1.33 0.00 0.00 177.39 175.27 1xiw s ILE 49 N -2.48 0.48 0.10 -0.08 1.01 -1.11 -1.37 121.20 117.75 1xiw s ILE 49 Ca -0.18 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1xiw s ILE 49 Cb 0.04 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1xiw s ILE 49 CO 0.26 -0.01 -0.11 -0.72 0.00 0.00 0.00 174.94 174.36 1xiw s TYR 50 N -0.48 1.11 -1.27 3.97 -0.85 -0.34 -0.75 117.35 118.74 1xiw s TYR 50 Ca -0.01 -0.65 -0.01 0.00 -0.52 0.00 0.00 57.07 55.88 1xiw s TYR 50 Cb -0.04 -0.60 -0.00 0.00 0.38 0.00 0.00 41.96 41.69 1xiw s TYR 50 CO -0.00 0.02 0.75 0.98 -1.52 0.00 0.00 175.55 175.79 1xiw n TYR 51 N 0.52 -1.97 0.00 -3.49 9.36 -1.01 -1.59 117.16 118.97 1xiw n TYR 51 Ca -0.16 0.84 0.00 0.00 3.32 0.00 0.00 57.90 61.90 1xiw n TYR 51 Cb 0.58 -4.45 0.00 0.00 -0.63 0.00 0.00 39.34 34.84 1xiw n TYR 51 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1xiw n THR 52 N -4.20 0.00 -0.66 2.97 -1.04 0.11 -3.96 114.28 107.50 1xiw n THR 52 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1xiw n THR 52 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1xiw n THR 52 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1xiw n SER 53 N 1.17 0.08 -4.68 8.00 7.64 -1.23 -3.40 113.62 121.20 1xiw n SER 53 Ca 0.00 -0.76 -0.43 0.00 1.01 0.00 0.00 58.87 58.69 1xiw n SER 53 Cb 0.00 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1xiw n SER 53 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1xiw s ARG 54 N -0.03 4.33 0.14 1.43 0.52 -0.62 -4.62 118.95 120.10 1xiw s ARG 54 Ca 0.00 1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 56.49 1xiw s ARG 54 Cb 0.00 -3.61 -0.07 0.00 0.52 0.00 0.00 34.95 31.79 1xiw s ARG 54 CO 0.00 -0.51 1.10 -0.51 0.02 0.00 0.00 175.30 175.40 1xiw s LEU 55 N 2.60 4.46 0.46 2.53 1.43 -1.26 -1.20 118.68 127.69 1xiw s LEU 55 Ca 0.53 2.02 -0.21 0.00 -1.03 0.00 0.00 54.13 55.44 1xiw s LEU 55 Cb -0.22 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 1xiw s LEU 55 CO 0.17 -0.25 1.01 -2.28 0.23 0.00 0.00 176.35 175.23 1xiw s HIS 56 N 0.09 3.13 0.20 0.29 5.65 -0.47 -4.94 115.29 119.25 1xiw s HIS 56 Ca 0.51 1.60 -0.32 0.00 0.25 0.00 0.00 55.06 57.10 1xiw s HIS 56 Cb -0.28 -3.00 -0.15 0.00 -1.18 0.00 0.00 32.58 27.97 1xiw s HIS 56 CO 0.33 -0.56 1.27 0.43 -0.65 0.00 0.00 174.74 175.56 1xiw n SER 57 N -0.75 1.95 0.00 9.88 7.64 -1.26 -1.49 113.62 129.60 1xiw n SER 57 Ca 0.08 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1xiw n SER 57 Cb 0.53 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1xiw n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xiw n GLY 58 N 2.10 1.60 3.70 0.23 0.00 -1.26 -5.03 105.19 106.54 1xiw n GLY 58 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1xiw n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xiw s VAL 59 N -2.68 5.01 0.62 1.61 1.01 -0.55 -5.04 120.40 120.39 1xiw s VAL 59 Ca 0.00 1.47 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 1xiw s VAL 59 Cb 0.00 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1xiw s VAL 59 CO 0.00 0.20 1.16 -2.16 0.00 0.00 0.00 175.10 174.30 1xiw s PRO 60 N 1.12 2.88 0.31 2.72 0.04 -1.26 -4.86 135.00 135.95 1xiw s PRO 60 Ca 0.37 1.62 0.19 0.00 0.04 0.00 0.00 61.00 63.22 1xiw s PRO 60 Cb -0.17 -1.94 1.06 0.00 0.04 0.00 0.00 34.50 33.48 1xiw s PRO 60 CO 0.17 -1.23 1.58 -1.13 0.04 0.00 0.00 177.00 176.43 1xiw n SER 61 N -1.96 0.50 0.30 6.66 3.41 -1.26 -2.12 113.62 119.15 1xiw n SER 61 Ca 0.12 0.72 0.18 0.00 -0.26 0.00 0.00 58.87 59.62 1xiw n SER 61 Cb 0.51 -0.77 0.93 0.00 -0.26 0.00 0.00 64.21 64.62 1xiw n SER 61 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1xiw h LYS 62 N 0.00 0.00 -5.68 4.33 2.10 -1.90 -3.41 116.57 112.01 1xiw h LYS 62 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 1xiw h LYS 62 Cb 0.10 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.34 1xiw h LYS 62 CO 0.00 0.04 -0.16 -0.06 -2.00 0.00 0.00 179.45 177.27 1xiw s PHE 63 N -4.15 3.49 0.02 0.07 0.08 -0.90 -1.26 117.98 115.32 1xiw s PHE 63 Ca -0.03 0.83 -0.02 0.00 0.12 0.00 0.00 56.93 57.83 1xiw s PHE 63 Cb 0.13 -2.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 1xiw s PHE 63 CO 0.51 0.15 0.02 -1.54 -0.10 0.00 0.00 175.22 174.25 1xiw s SER 64 N 0.67 0.21 0.10 1.36 1.04 -0.53 -4.98 113.70 111.56 1xiw s SER 64 Ca 0.24 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.23 1xiw s SER 64 Cb -0.15 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1xiw s SER 64 CO 0.09 -0.37 -0.13 -0.83 0.98 0.00 0.00 173.24 172.99 1xiw s GLY 65 N -1.66 0.93 0.29 7.32 0.00 -1.26 -0.71 107.32 112.23 1xiw s GLY 65 Ca -0.12 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.38 1xiw s GLY 65 CO -0.02 -1.20 0.44 -1.35 0.00 0.00 0.00 173.10 170.97 1xiw s SER 66 N -2.19 0.38 0.00 1.64 1.04 -0.61 -4.34 113.70 109.62 1xiw s SER 66 Ca 0.04 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1xiw s SER 66 Cb -0.06 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1xiw s SER 66 CO 0.02 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1xiw n GLY 67 N -0.45 3.43 3.52 7.32 0.00 -1.26 -1.41 105.19 116.34 1xiw n GLY 67 Ca -0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 1xiw n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xiw s SER 68 N 0.00 -0.42 1.99 1.61 0.15 -0.29 -4.92 113.70 111.82 1xiw s SER 68 Ca 0.00 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1xiw s SER 68 Cb 0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1xiw s SER 68 CO 0.00 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1xiw n GLY 69 N 0.16 2.18 0.20 9.45 0.00 -1.26 -1.69 105.19 114.23 1xiw n GLY 69 Ca -0.11 0.34 0.07 0.00 0.00 0.00 0.00 46.02 46.33 1xiw n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xiw n THR 70 N 0.00 0.00 -4.24 2.61 -2.24 -1.26 -2.39 114.28 106.76 1xiw n THR 70 Ca 0.00 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1xiw n THR 70 Cb 0.00 1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 69.19 1xiw n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xiw s ASP 71 N -2.12 4.28 0.12 3.42 1.01 -0.68 -0.45 116.67 122.25 1xiw s ASP 71 Ca 0.10 -0.33 0.02 0.00 0.71 0.00 0.00 52.55 53.04 1xiw s ASP 71 Cb 0.12 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 1xiw s ASP 71 CO 0.50 0.07 -0.05 -0.31 0.21 0.00 0.00 175.17 175.58 1xiw s TYR 72 N 0.96 0.99 -0.04 4.23 2.02 -0.24 -1.14 117.35 124.14 1xiw s TYR 72 Ca -0.01 -0.93 -0.21 0.00 -0.37 0.00 0.00 57.07 55.55 1xiw s TYR 72 Cb -0.15 -0.56 0.04 0.00 -0.40 0.00 0.00 41.96 40.89 1xiw s TYR 72 CO 0.00 -0.15 0.47 -1.54 -1.57 0.00 0.00 175.55 172.76 1xiw s SER 73 N -3.08 -0.40 -0.15 2.29 1.04 -0.50 -0.79 113.70 112.10 1xiw s SER 73 Ca 0.15 0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.97 1xiw s SER 73 Cb 0.05 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1xiw s SER 73 CO -0.02 -0.49 -0.10 -0.22 0.98 0.00 0.00 173.24 173.39 1xiw s LEU 74 N -1.15 2.81 -0.15 2.42 2.96 -0.09 -1.57 118.68 123.91 1xiw s LEU 74 Ca -0.11 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1xiw s LEU 74 Cb -0.03 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1xiw s LEU 74 CO 0.06 0.13 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.22 1xiw s THR 75 N 0.58 3.13 -0.22 3.68 2.01 0.11 -0.25 115.64 124.69 1xiw s THR 75 Ca -0.06 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1xiw s THR 75 Cb -0.15 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.05 1xiw s THR 75 CO 0.03 0.50 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.70 1xiw s ILE 76 N 0.60 2.37 0.42 1.82 1.01 -0.19 -1.45 121.20 125.77 1xiw s ILE 76 Ca -0.07 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.54 1xiw s ILE 76 Cb -0.15 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1xiw s ILE 76 CO 0.03 0.32 0.59 -0.44 0.00 0.00 0.00 174.94 175.44 1xiw s SER 77 N 1.27 5.77 -0.91 3.58 0.01 -0.39 -1.26 113.70 121.76 1xiw s SER 77 Ca 0.01 -0.06 -0.20 0.00 1.31 0.00 0.00 55.95 57.01 1xiw s SER 77 Cb -0.16 -1.17 0.03 0.00 0.21 0.00 0.00 66.02 64.93 1xiw s SER 77 CO -0.08 -0.67 0.55 -3.20 0.41 0.00 0.00 173.24 170.24 1xiw n ASN 78 N -1.91 -3.63 -4.68 2.44 5.15 -0.93 -4.79 115.26 106.92 1xiw n ASN 78 Ca 0.03 -1.01 -0.44 0.00 -0.60 0.00 0.00 54.58 52.55 1xiw n ASN 78 Cb 0.58 -1.33 -0.02 0.00 -0.53 0.00 0.00 39.78 38.49 1xiw n ASN 78 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1xiw n LEU 79 N -3.72 3.19 -4.38 1.20 4.77 0.16 -4.60 117.00 113.62 1xiw n LEU 79 Ca -0.15 1.16 -0.19 0.00 -0.03 0.00 0.00 56.01 56.79 1xiw n LEU 79 Cb 0.51 -1.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.06 1xiw n LEU 79 CO 0.60 -0.52 -0.34 -1.61 -1.33 0.00 0.00 177.39 174.19 1xiw s GLU 80 N -0.87 1.46 0.33 3.23 2.02 -1.26 0.19 118.70 123.79 1xiw s GLU 80 Ca 0.64 -1.74 0.06 0.00 0.02 0.00 0.00 54.97 53.95 1xiw s GLU 80 Cb -0.63 -0.88 0.73 0.00 0.10 0.00 0.00 34.13 33.46 1xiw s GLU 80 CO 0.54 -0.04 1.86 1.96 0.02 0.00 0.00 175.26 179.59 1xiw h GLN 81 N 2.36 0.77 0.00 1.61 1.08 -1.95 -0.04 115.11 118.93 1xiw h GLN 81 Ca -0.39 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1xiw h GLN 81 Cb 1.23 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1xiw h GLN 81 CO 0.66 0.51 0.00 0.39 -0.95 0.00 0.00 178.83 179.44 1xiw n GLU 82 N -4.58 0.12 0.00 1.46 4.71 -1.26 -2.33 120.64 118.77 1xiw n GLU 82 Ca 0.18 0.55 0.13 0.00 -0.01 0.00 0.00 57.16 58.01 1xiw n GLU 82 Cb 0.42 -1.85 0.46 0.00 -1.01 0.00 0.00 31.44 29.46 1xiw n GLU 82 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xiw n ASP 83 N -2.10 1.01 -4.62 1.62 8.00 -0.03 -4.84 116.55 115.59 1xiw n ASP 83 Ca -0.00 -0.96 -0.43 0.00 0.71 0.00 0.00 54.79 54.11 1xiw n ASP 83 Cb 0.08 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1xiw n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xiw s ILE 84 N -2.38 3.37 0.03 0.53 1.01 -0.98 -4.86 121.20 117.91 1xiw s ILE 84 Ca 0.28 0.41 -0.25 0.00 0.00 0.00 0.00 60.65 61.09 1xiw s ILE 84 Cb 0.20 -3.40 0.08 0.00 0.01 0.00 0.00 42.46 39.35 1xiw s ILE 84 CO 0.47 -0.19 1.16 0.00 0.00 0.00 0.00 174.94 176.38 1xiw n ALA 85 N 9.36 -3.21 -2.87 9.38 0.00 -1.15 -4.67 120.51 127.36 1xiw n ALA 85 Ca 0.22 -0.82 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 1xiw n ALA 85 Cb 0.45 0.25 -0.11 0.00 0.00 0.00 0.00 19.45 20.04 1xiw n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xiw s THR 86 N -2.04 4.24 -0.14 0.00 2.01 -0.27 -0.16 115.64 119.28 1xiw s THR 86 Ca 0.27 -0.24 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1xiw s THR 86 Cb -0.01 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1xiw s THR 86 CO 0.01 0.50 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.13 1xiw s TYR 87 N 0.15 3.12 -0.01 4.92 2.02 0.22 -0.43 117.35 127.35 1xiw s TYR 87 Ca 0.01 -0.07 0.06 0.00 -0.37 0.00 0.00 57.07 56.70 1xiw s TYR 87 Cb -0.13 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 1xiw s TYR 87 CO 0.02 0.15 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.90 1xiw s PHE 88 N 0.01 1.70 0.23 2.71 0.08 -0.47 -0.48 117.98 121.77 1xiw s PHE 88 Ca 0.02 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.82 1xiw s PHE 88 Cb -0.13 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1xiw s PHE 88 CO 0.02 -0.02 0.15 0.00 -0.10 0.00 0.00 175.22 175.27 1xiw s GLN 90 N -3.59 0.33 -0.01 0.00 -0.44 0.42 -1.86 119.66 114.51 1xiw s GLN 90 Ca 0.32 0.52 -0.12 0.00 -2.50 0.00 0.00 55.36 53.58 1xiw s GLN 90 Cb -0.08 0.07 -0.05 0.00 -1.64 0.00 0.00 33.01 31.30 1xiw s GLN 90 CO 0.24 -0.09 0.35 1.14 0.50 0.00 0.00 175.29 177.43 1xiw s GLN 91 N 0.66 3.80 -0.19 1.67 1.03 -0.18 -1.09 119.66 125.36 1xiw s GLN 91 Ca -0.04 0.27 0.13 0.00 0.04 0.00 0.00 55.36 55.76 1xiw s GLN 91 Cb -0.05 -3.18 0.43 0.00 0.03 0.00 0.00 33.01 30.23 1xiw s GLN 91 CO -0.04 0.69 1.21 0.41 -2.54 0.00 0.00 175.29 175.02 1xiw n GLY 92 N 1.71 4.73 0.11 2.60 0.00 0.11 -3.39 105.19 111.06 1xiw n GLY 92 Ca -0.14 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 1xiw n GLY 92 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xiw h ASN 93 N 1.14 0.17 -3.88 1.61 -1.24 -1.80 -3.47 115.58 108.11 1xiw h ASN 93 Ca 0.01 -0.71 -0.36 0.00 0.71 0.00 0.00 56.30 55.95 1xiw h ASN 93 Cb 1.17 -0.05 -0.29 0.00 0.73 0.00 0.00 38.32 39.87 1xiw h ASN 93 CO 0.09 1.56 -0.76 -0.89 -1.29 0.00 0.00 177.43 176.14 1xiw s THR 94 N -2.42 0.52 0.40 -3.57 2.01 -1.26 -5.12 115.64 106.19 1xiw s THR 94 Ca -0.25 -0.25 -0.25 0.00 0.31 0.00 0.00 61.69 61.25 1xiw s THR 94 Cb 0.05 -0.46 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 1xiw s THR 94 CO 0.67 0.16 1.13 -0.76 -0.69 0.00 0.00 174.62 175.13 1xiw s LEU 95 N 0.02 4.19 0.36 4.42 1.43 -1.26 -3.76 118.68 124.08 1xiw s LEU 95 Ca 0.00 2.24 -0.25 0.00 -1.03 0.00 0.00 54.13 55.10 1xiw s LEU 95 Cb -0.05 -4.06 -0.10 0.00 0.03 0.00 0.00 46.19 42.02 1xiw s LEU 95 CO -0.00 -0.60 0.97 -2.16 0.23 0.00 0.00 176.35 174.79 1xiw s PRO 96 N -2.32 4.41 0.46 1.29 0.04 -1.26 -4.94 135.00 132.68 1xiw s PRO 96 Ca 0.57 1.33 -0.25 0.00 0.04 0.00 0.00 61.00 62.69 1xiw s PRO 96 Cb -0.28 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.57 1xiw s PRO 96 CO 0.35 0.11 1.43 -1.58 0.04 0.00 0.00 177.00 177.35 1xiw s TRP 97 N -1.74 2.41 0.05 0.56 0.23 -1.25 -4.75 118.94 114.46 1xiw s TRP 97 Ca 0.54 1.26 0.02 0.00 -2.03 0.00 0.00 56.10 55.90 1xiw s TRP 97 Cb -0.18 -3.93 -0.03 0.00 0.03 0.00 0.00 33.47 29.37 1xiw s TRP 97 CO 0.23 -3.00 -0.08 0.95 0.96 0.00 0.00 176.95 176.00 1xiw s THR 98 N -1.21 0.63 0.22 2.01 -4.23 -1.22 -5.01 115.64 106.83 1xiw s THR 98 Ca 0.62 -1.23 0.10 0.00 -1.18 0.00 0.00 61.69 60.00 1xiw s THR 98 Cb -0.44 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 1xiw s THR 98 CO 0.56 -0.44 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.69 1xiw s PHE 99 N -1.70 2.46 0.73 3.99 0.08 -1.26 -1.01 117.98 121.27 1xiw s PHE 99 Ca -0.06 -0.29 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 1xiw s PHE 99 Cb -0.08 -1.16 0.13 0.00 -0.57 0.00 0.00 43.02 41.35 1xiw s PHE 99 CO -0.00 0.58 1.00 0.00 -0.10 0.00 0.00 175.22 176.70 1xiw s ALA 100 N -1.99 3.71 -1.60 5.36 0.00 -0.77 -4.49 121.76 121.97 1xiw s ALA 100 Ca 0.26 -1.76 0.26 0.00 0.00 0.00 0.00 51.96 50.72 1xiw s ALA 100 Cb -0.07 -1.99 1.40 0.00 0.00 0.00 0.00 23.12 22.46 1xiw s ALA 100 CO 0.14 -1.49 1.90 0.41 0.00 0.00 0.00 175.76 176.73 1xiw n GLY 101 N -2.85 -1.05 0.00 0.00 0.00 -1.26 -4.75 105.19 95.28 1xiw n GLY 101 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1xiw n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xiw n GLY 102 N 0.85 -1.28 2.91 -0.02 0.00 -1.26 -4.98 105.19 101.40 1xiw n GLY 102 Ca 0.15 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 1xiw n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xiw s THR 103 N -3.14 1.12 -0.17 2.61 2.01 0.37 -4.51 115.64 113.94 1xiw s THR 103 Ca 0.00 -0.53 -0.24 0.00 0.31 0.00 0.00 61.69 61.23 1xiw s THR 103 Cb 0.00 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1xiw s THR 103 CO 0.00 0.23 0.79 -0.75 -0.69 0.00 0.00 174.62 174.20 1xiw s LYS 104 N 1.64 4.28 -0.24 4.92 2.47 -0.14 -0.61 119.74 132.07 1xiw s LYS 104 Ca 0.02 0.94 -0.08 0.00 -1.56 0.00 0.00 55.97 55.30 1xiw s LYS 104 Cb -0.14 -3.57 -0.03 0.00 -1.46 0.00 0.00 37.83 32.62 1xiw s LYS 104 CO -0.08 -0.31 0.08 -1.17 0.16 0.00 0.00 175.35 174.04 1xiw s LEU 105 N 2.08 3.60 -0.08 5.43 2.96 0.77 -0.66 118.68 132.78 1xiw s LEU 105 Ca 0.37 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1xiw s LEU 105 Cb -0.16 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1xiw s LEU 105 CO 0.12 0.01 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.48 1xiw s GLU 106 N 1.35 2.92 0.00 1.98 2.02 0.42 -2.92 118.70 124.48 1xiw s GLU 106 Ca 0.05 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1xiw s GLU 106 Cb -0.15 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1xiw s GLU 106 CO 0.04 0.56 0.24 -0.89 0.02 0.00 0.00 175.26 175.24