#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imw s LEU 12 N 0.00 0.26 0.08 1.53 2.96 -1.26 -0.68 118.68 121.57 3imw s LEU 12 Ca 0.00 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 3imw s LEU 12 Cb 0.00 -0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.45 3imw s LEU 12 CO 0.00 -0.27 -0.12 -0.04 -1.32 0.00 0.00 176.35 174.60 3imw s MET 13 N 2.14 0.81 -0.05 1.98 -1.94 -0.10 -4.40 119.30 117.73 3imw s MET 13 Ca 0.04 -1.02 0.03 0.00 -1.71 0.00 0.00 55.69 53.03 3imw s MET 13 Cb -0.13 -0.68 0.01 0.00 2.01 0.00 0.00 34.83 36.03 3imw s MET 13 CO -0.05 0.14 -0.13 0.08 -0.01 0.00 0.00 175.02 175.05 3imw s VAL 14 N -1.71 1.13 -0.09 -6.03 1.01 -0.80 -0.86 120.40 113.06 3imw s VAL 14 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3imw s VAL 14 Cb -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3imw s VAL 14 CO 0.01 0.34 -0.15 -0.75 0.00 0.00 0.00 175.10 174.56 3imw s LYS 15 N 0.35 2.07 -0.05 2.72 2.47 -0.08 -0.96 119.74 126.26 3imw s LYS 15 Ca -0.08 -0.53 0.02 0.00 -1.56 0.00 0.00 55.97 53.82 3imw s LYS 15 Cb -0.13 -1.70 0.01 0.00 -1.46 0.00 0.00 37.83 34.56 3imw s LYS 15 CO 0.02 0.02 -0.10 0.08 0.16 0.00 0.00 175.35 175.53 3imw s VAL 16 N 0.74 0.94 0.18 4.02 1.01 0.06 -0.92 120.40 126.43 3imw s VAL 16 Ca -0.12 -0.38 0.11 0.00 0.00 0.00 0.00 61.98 61.59 3imw s VAL 16 Cb -0.16 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3imw s VAL 16 CO 0.03 0.30 -0.25 -0.76 0.00 0.00 0.00 175.10 174.42 3imw s LEU 17 N 0.59 2.41 -0.28 3.92 1.43 -0.16 -1.04 118.68 125.55 3imw s LEU 17 Ca -0.11 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.10 3imw s LEU 17 Cb -0.14 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.92 3imw s LEU 17 CO 0.02 0.13 0.02 -0.62 0.23 0.00 0.00 176.35 176.13 3imw s ASP 18 N -2.54 4.80 0.00 2.29 -1.08 0.26 -0.80 116.67 119.60 3imw s ASP 18 Ca 0.19 -0.83 0.29 0.00 -0.52 0.00 0.00 52.55 51.68 3imw s ASP 18 Cb -0.08 -1.78 1.27 0.00 -1.46 0.00 0.00 42.92 40.87 3imw s ASP 18 CO 0.09 -0.18 1.94 0.00 0.52 0.00 0.00 175.17 177.54 3imw n ALA 19 N 4.77 2.34 -0.04 3.66 0.00 -0.15 -1.67 120.51 129.42 3imw n ALA 19 Ca -0.15 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 3imw n ALA 19 Cb 0.47 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 3imw n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3imw h VAL 20 N 0.00 0.88 0.00 0.00 2.07 -1.95 -3.40 116.25 113.85 3imw h VAL 20 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3imw h VAL 20 Cb 0.46 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3imw h VAL 20 CO 0.00 0.62 -1.12 0.54 0.02 0.00 0.00 177.57 177.63 3imw n ARG 21 N -3.99 0.11 -2.65 1.57 1.74 -1.25 -5.00 116.66 107.19 3imw n ARG 21 Ca -0.29 -0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.67 3imw n ARG 21 Cb 0.85 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.83 3imw n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3imw n GLY 22 N 1.46 -0.05 3.42 -0.13 0.00 -0.67 -5.04 105.19 104.18 3imw n GLY 22 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 3imw n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3imw s SER 23 N -3.55 -0.09 0.61 1.61 1.04 -1.12 -5.02 113.70 107.18 3imw s SER 23 Ca 0.08 -0.70 -0.19 0.00 0.48 0.00 0.00 55.95 55.63 3imw s SER 23 Cb -0.01 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3imw s SER 23 CO 0.39 -0.97 1.11 -0.81 0.98 0.00 0.00 173.24 173.95 3imw n PRO 24 N -0.27 1.05 -3.09 4.02 -0.04 -1.26 -0.58 135.00 134.83 3imw n PRO 24 Ca -0.09 0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 63.35 3imw n PRO 24 Cb 0.63 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 3imw n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3imw s ALA 25 N -1.45 3.33 0.09 0.55 0.00 -0.20 -4.53 121.76 119.55 3imw s ALA 25 Ca 0.78 -1.51 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 3imw s ALA 25 Cb -0.41 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 3imw s ALA 25 CO 0.45 -2.02 0.48 0.42 0.00 0.00 0.00 175.76 175.09 3imw s ILE 26 N 2.92 4.96 -1.42 0.00 1.01 -1.26 -4.28 121.20 123.12 3imw s ILE 26 Ca 0.20 0.74 -0.08 0.00 0.00 0.00 0.00 60.65 61.50 3imw s ILE 26 Cb -0.17 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.60 3imw s ILE 26 CO 0.15 0.34 1.02 -3.20 0.00 0.00 0.00 174.94 173.26 3imw n ASN 27 N 1.09 -6.23 -4.66 3.58 5.15 -0.41 -4.94 115.26 108.83 3imw n ASN 27 Ca -0.08 -0.49 -0.40 0.00 -0.60 0.00 0.00 54.58 53.01 3imw n ASN 27 Cb 0.52 -4.94 -0.05 0.00 -0.53 0.00 0.00 39.78 34.78 3imw n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3imw s VAL 28 N -3.28 4.99 0.27 3.44 1.01 -1.26 -4.77 120.40 120.81 3imw s VAL 28 Ca 0.52 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 63.50 3imw s VAL 28 Cb -0.23 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 3imw s VAL 28 CO 0.64 0.10 1.09 0.00 0.00 0.00 0.00 175.10 176.93 3imw s ALA 29 N 1.90 3.40 -0.05 5.51 0.00 -1.26 -1.02 121.76 130.25 3imw s ALA 29 Ca 0.31 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.15 3imw s ALA 29 Cb -0.16 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.66 3imw s ALA 29 CO 0.11 -0.14 -0.04 0.08 0.00 0.00 0.00 175.76 175.78 3imw s VAL 30 N -1.13 0.50 -0.09 0.00 1.01 0.01 -0.90 120.40 119.80 3imw s VAL 30 Ca 0.44 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3imw s VAL 30 Cb -0.31 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3imw s VAL 30 CO 0.40 0.23 -0.23 -1.00 0.00 0.00 0.00 175.10 174.50 3imw s HIS 31 N 1.05 2.41 -0.11 5.22 3.76 -0.26 -1.34 115.29 126.03 3imw s HIS 31 Ca -0.09 -0.96 -0.01 0.00 -0.15 0.00 0.00 55.06 53.85 3imw s HIS 31 Cb -0.14 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 3imw s HIS 31 CO -0.01 -0.39 -0.07 0.08 -0.85 0.00 0.00 174.74 173.51 3imw s VAL 32 N 0.34 3.67 0.18 -0.90 1.01 0.97 -0.32 120.40 125.35 3imw s VAL 32 Ca -0.17 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.43 3imw s VAL 32 Cb -0.17 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3imw s VAL 32 CO 0.08 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.19 3imw s PHE 33 N -0.22 1.90 -0.05 5.22 0.40 0.13 -0.36 117.98 124.99 3imw s PHE 33 Ca 0.03 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 3imw s PHE 33 Cb -0.13 -0.92 0.01 0.00 0.51 0.00 0.00 43.02 42.49 3imw s PHE 33 CO 0.03 0.39 -0.13 0.50 0.70 0.00 0.00 175.22 176.71 3imw s ARG 34 N -2.97 1.55 0.03 0.44 3.52 -0.13 -0.81 118.95 120.58 3imw s ARG 34 Ca 0.19 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.05 3imw s ARG 34 Cb -0.05 -1.33 -0.07 0.00 -1.56 0.00 0.00 34.95 31.94 3imw s ARG 34 CO 0.08 0.10 1.55 0.15 -0.81 0.00 0.00 175.30 176.37 3imw s LYS 35 N 0.42 4.23 0.79 5.12 1.02 0.07 -1.36 119.74 130.03 3imw s LYS 35 Ca -0.10 2.17 -0.06 0.00 0.02 0.00 0.00 55.97 58.01 3imw s LYS 35 Cb -0.13 -3.63 0.14 0.00 -0.52 0.00 0.00 37.83 33.69 3imw s LYS 35 CO 0.03 -0.68 1.09 0.00 -0.92 0.00 0.00 175.35 174.86 3imw s ALA 36 N 2.68 3.18 0.51 5.17 0.00 0.82 -4.70 121.76 129.43 3imw s ALA 36 Ca 0.70 -1.43 0.16 0.00 0.00 0.00 0.00 51.96 51.38 3imw s ALA 36 Cb -0.36 -2.33 1.25 0.00 0.00 0.00 0.00 23.12 21.68 3imw s ALA 36 CO 0.30 -1.71 2.14 0.00 0.00 0.00 0.00 175.76 176.49 3imw h ALA 37 N -0.86 1.98 -0.36 0.00 0.00 -1.95 -0.35 119.26 117.73 3imw h ALA 37 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3imw h ALA 37 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3imw h ALA 37 CO 0.43 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 3imw n ASP 38 N -4.53 2.85 0.00 0.00 5.75 -1.26 -4.91 116.55 114.44 3imw n ASP 38 Ca -0.03 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3imw n ASP 38 Cb 0.09 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3imw n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3imw n ASP 39 N 1.09 -2.56 -4.89 -1.12 8.00 -0.14 -5.03 116.55 111.90 3imw n ASP 39 Ca 0.18 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.39 3imw n ASP 39 Cb 0.50 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3imw n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3imw s THR 40 N -2.30 4.84 -0.56 -3.53 -4.23 -1.26 -4.78 115.64 103.81 3imw s THR 40 Ca 0.00 0.43 -0.20 0.00 -1.18 0.00 0.00 61.69 60.74 3imw s THR 40 Cb 0.00 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 70.10 3imw s THR 40 CO 0.00 -0.75 0.73 0.26 -0.54 0.00 0.00 174.62 174.32 3imw s TRP 41 N -2.64 2.95 0.04 3.99 0.52 -1.26 -0.13 118.94 122.41 3imw s TRP 41 Ca 0.50 -0.65 -0.22 0.00 0.02 0.00 0.00 56.10 55.74 3imw s TRP 41 Cb -0.10 -3.88 -0.06 0.00 -1.15 0.00 0.00 33.47 28.28 3imw s TRP 41 CO 0.40 -1.25 0.67 -1.21 0.02 0.00 0.00 176.95 175.58 3imw s GLU 42 N 2.98 4.39 0.29 4.98 2.02 -0.46 -4.84 118.70 128.06 3imw s GLU 42 Ca 0.16 0.89 -0.30 0.00 0.02 0.00 0.00 54.97 55.74 3imw s GLU 42 Cb -0.20 -3.33 -0.12 0.00 0.10 0.00 0.00 34.13 30.58 3imw s GLU 42 CO 0.10 0.40 1.55 -2.30 0.02 0.00 0.00 175.26 175.02 3imw n PRO 43 N 2.50 2.55 -0.01 0.39 -0.02 -1.26 -0.95 135.00 138.19 3imw n PRO 43 Ca -0.06 0.91 -0.03 0.00 -2.02 0.00 0.00 63.50 62.30 3imw n PRO 43 Cb 0.50 -2.66 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 3imw n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3imw n PHE 44 N 2.01 0.00 -3.64 6.00 7.35 0.51 -4.79 117.46 124.91 3imw n PHE 44 Ca 0.09 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.73 3imw n PHE 44 Cb 0.36 -0.11 -0.02 0.00 0.35 0.00 0.00 39.48 40.06 3imw n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3imw s ALA 45 N -2.06 -1.78 0.19 3.13 0.00 -0.94 -5.01 121.76 115.30 3imw s ALA 45 Ca -0.04 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 3imw s ALA 45 Cb 0.01 0.51 0.04 0.00 0.00 0.00 0.00 23.12 23.68 3imw s ALA 45 CO 0.06 -0.89 0.56 -1.54 0.00 0.00 0.00 175.76 173.95 3imw s SER 46 N -2.74 -0.33 -0.01 0.00 1.04 -1.26 -0.02 113.70 110.39 3imw s SER 46 Ca 0.09 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.11 3imw s SER 46 Cb -0.01 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.72 3imw s SER 46 CO -0.03 -1.06 0.15 0.61 0.98 0.00 0.00 173.24 173.89 3imw n GLY 47 N -0.36 0.51 3.00 7.32 0.00 -0.45 -4.95 105.19 110.26 3imw n GLY 47 Ca -0.11 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 3imw n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3imw s LYS 48 N -2.00 0.37 0.50 1.61 -2.85 -1.26 -0.81 119.74 115.30 3imw s LYS 48 Ca 0.04 -0.67 -0.22 0.00 -1.00 0.00 0.00 55.97 54.11 3imw s LYS 48 Cb -0.00 0.05 -0.06 0.00 -2.06 0.00 0.00 37.83 35.76 3imw s LYS 48 CO -0.00 -0.04 1.22 0.95 0.10 0.00 0.00 175.35 177.58 3imw s THR 49 N -1.60 2.77 0.31 3.79 -4.23 -0.19 -4.72 115.64 111.77 3imw s THR 49 Ca -0.14 0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 60.89 3imw s THR 49 Cb -0.09 -3.28 0.07 0.00 1.34 0.00 0.00 72.50 70.55 3imw s THR 49 CO -0.01 -0.02 0.42 -1.54 -0.54 0.00 0.00 174.62 172.92 3imw n SER 50 N -0.81 0.05 0.24 3.99 3.41 0.09 -1.29 113.62 119.31 3imw n SER 50 Ca 0.09 -1.17 0.16 0.00 -0.26 0.00 0.00 58.87 57.70 3imw n SER 50 Cb 0.48 -0.32 0.72 0.00 -0.26 0.00 0.00 64.21 64.83 3imw n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3imw h GLU 51 N 0.00 0.00 -0.52 4.33 4.39 -1.93 0.25 114.58 121.10 3imw h GLU 51 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3imw h GLU 51 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3imw h GLU 51 CO 0.10 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.82 3imw n SER 52 N -2.77 3.02 -0.33 1.42 3.41 -1.26 -4.79 113.62 112.32 3imw n SER 52 Ca 0.00 -1.97 -0.04 0.00 -0.26 0.00 0.00 58.87 56.59 3imw n SER 52 Cb 0.21 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 3imw n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3imw n GLY 53 N 1.41 0.71 3.51 5.00 0.00 0.08 -4.79 105.19 111.10 3imw n GLY 53 Ca 0.19 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 3imw n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imw s GLU 54 N -1.93 2.00 -0.12 1.61 2.02 -1.26 -0.76 118.70 120.26 3imw s GLU 54 Ca 0.00 -1.05 -0.02 0.00 0.02 0.00 0.00 54.97 53.92 3imw s GLU 54 Cb 0.00 -2.21 0.04 0.00 0.10 0.00 0.00 34.13 32.06 3imw s GLU 54 CO 0.00 0.51 0.01 -1.17 0.02 0.00 0.00 175.26 174.64 3imw s LEU 55 N -1.93 0.83 0.44 1.80 2.96 -0.13 -0.73 118.68 121.92 3imw s LEU 55 Ca 0.18 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3imw s LEU 55 Cb -0.11 -0.51 -0.05 0.00 0.50 0.00 0.00 46.19 46.03 3imw s LEU 55 CO 0.10 -0.24 0.09 -1.00 -1.32 0.00 0.00 176.35 173.98 3imw s HIS 56 N 1.92 2.33 -0.60 5.38 3.76 -1.26 -1.90 115.29 124.93 3imw s HIS 56 Ca 0.03 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 3imw s HIS 56 Cb -0.14 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.74 3imw s HIS 56 CO -0.07 0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 3imw n GLY 57 N -1.18 0.81 0.27 -2.22 0.00 -1.26 -4.92 105.19 96.69 3imw n GLY 57 Ca -0.07 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3imw n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3imw h LEU 58 N 0.00 0.91 0.00 0.99 3.38 -1.88 -3.48 115.31 115.24 3imw h LEU 58 Ca -0.12 -0.34 -0.22 0.00 0.09 0.00 0.00 57.88 57.29 3imw h LEU 58 Cb 0.40 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3imw h LEU 58 CO 0.17 1.04 -0.06 1.07 0.09 0.00 0.00 178.44 180.75 3imw n THR 59 N -4.25 0.00 -4.48 0.22 5.66 -1.26 -4.77 114.28 105.40 3imw n THR 59 Ca 0.00 -1.54 -0.24 0.00 -3.05 0.00 0.00 64.05 59.23 3imw n THR 59 Cb 0.37 1.01 -0.10 0.00 -1.55 0.00 0.00 70.33 70.06 3imw n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3imw s THR 60 N -2.68 2.22 0.23 1.09 -4.23 -1.26 -4.61 115.64 106.41 3imw s THR 60 Ca 0.25 -2.28 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 3imw s THR 60 Cb -0.02 -2.42 0.19 0.00 1.34 0.00 0.00 72.50 71.60 3imw s THR 60 CO 0.18 -0.33 1.75 -0.33 -0.54 0.00 0.00 174.62 175.35 3imw h GLU 61 N 2.21 0.50 -0.48 3.99 5.08 -2.00 -1.49 114.58 122.39 3imw h GLU 61 Ca -0.41 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3imw h GLU 61 Cb 1.25 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3imw h GLU 61 CO 0.65 0.33 0.23 0.93 -1.00 0.00 0.00 179.01 180.15 3imw h GLU 62 N 0.52 0.68 0.00 2.33 5.08 -2.04 -3.13 114.58 118.02 3imw h GLU 62 Ca 0.38 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 3imw h GLU 62 Cb 0.50 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3imw h GLU 62 CO -0.33 0.57 -0.49 0.93 -1.00 0.00 0.00 179.01 178.68 3imw h GLU 63 N 0.62 0.00 -3.85 2.33 5.08 -1.88 -3.39 114.58 113.50 3imw h GLU 63 Ca 0.16 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.78 3imw h GLU 63 Cb 0.11 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.22 3imw h GLU 63 CO -0.02 0.14 2.04 0.34 -1.00 0.00 0.00 179.01 180.50 3imw n PHE 64 N -3.01 3.41 -1.98 4.33 7.35 -0.59 -4.96 117.46 122.01 3imw n PHE 64 Ca 0.01 -2.91 -0.29 0.00 -0.76 0.00 0.00 57.45 53.51 3imw n PHE 64 Cb 0.61 -2.08 0.13 0.00 0.35 0.00 0.00 39.48 38.50 3imw n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3imw s VAL 65 N 1.01 2.04 0.56 -2.13 -7.23 -1.26 -4.95 120.40 108.44 3imw s VAL 65 Ca 0.41 -0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 60.32 3imw s VAL 65 Cb 0.08 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 3imw s VAL 65 CO -0.00 0.00 1.16 1.21 -0.31 0.00 0.00 175.10 177.16 3imw n GLU 66 N -3.46 1.31 0.00 4.82 0.00 -1.26 -4.78 120.64 117.26 3imw n GLU 66 Ca 0.12 0.49 0.00 0.00 0.00 0.00 0.00 57.16 57.77 3imw n GLU 66 Cb 0.60 -2.35 0.00 0.00 0.00 0.00 0.00 31.44 29.69 3imw n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3imw n GLY 67 N 1.02 -0.95 3.54 8.31 0.00 -1.03 -5.00 105.19 111.08 3imw n GLY 67 Ca 0.12 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 3imw n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imw s ILE 68 N -2.00 4.93 0.07 -0.61 1.01 -1.26 -0.80 121.20 122.54 3imw s ILE 68 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.75 3imw s ILE 68 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3imw s ILE 68 CO 0.00 0.29 -0.09 -0.31 0.00 0.00 0.00 174.94 174.84 3imw s TYR 69 N 1.64 2.79 -0.15 3.97 1.51 0.09 -0.75 117.35 126.46 3imw s TYR 69 Ca 0.07 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 3imw s TYR 69 Cb -0.15 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 3imw s TYR 69 CO 0.08 0.40 -0.14 0.21 -1.11 0.00 0.00 175.55 174.99 3imw s LYS 70 N -1.93 2.28 -0.40 -0.62 2.20 0.01 -1.25 119.74 120.02 3imw s LYS 70 Ca 0.20 -0.55 -0.11 0.00 -0.36 0.00 0.00 55.97 55.15 3imw s LYS 70 Cb -0.11 -2.08 0.05 0.00 -1.51 0.00 0.00 37.83 34.18 3imw s LYS 70 CO 0.12 -0.23 0.25 0.08 -0.36 0.00 0.00 175.35 175.21 3imw s VAL 71 N 1.47 4.57 -0.32 4.02 1.01 0.68 -0.69 120.40 131.13 3imw s VAL 71 Ca 0.04 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 3imw s VAL 71 Cb -0.13 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3imw s VAL 71 CO -0.10 -0.37 0.23 -0.70 0.00 0.00 0.00 175.10 174.16 3imw s GLU 72 N 1.53 3.61 -0.26 2.72 2.12 0.56 -0.70 118.70 128.28 3imw s GLU 72 Ca 0.03 -0.56 -0.09 0.00 0.36 0.00 0.00 54.97 54.71 3imw s GLU 72 Cb -0.21 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 3imw s GLU 72 CO 0.05 -0.38 0.13 0.42 -0.54 0.00 0.00 175.26 174.95 3imw s ILE 73 N 1.73 4.80 -1.33 -3.70 1.01 0.24 -1.10 121.20 122.86 3imw s ILE 73 Ca 0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.58 3imw s ILE 73 Cb -0.17 -3.27 0.11 0.00 0.01 0.00 0.00 42.46 39.15 3imw s ILE 73 CO 0.11 0.30 1.89 0.47 0.00 0.00 0.00 174.94 177.70 3imw n ASP 74 N 4.98 4.71 0.03 3.58 8.00 -0.08 -1.24 116.55 136.53 3imw n ASP 74 Ca -0.15 -2.98 -0.04 0.00 0.71 0.00 0.00 54.79 52.33 3imw n ASP 74 Cb 0.52 -1.59 0.18 0.00 -0.02 0.00 0.00 41.12 40.20 3imw n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3imw h THR 75 N 4.26 1.29 -0.20 -3.53 1.35 -1.86 -2.66 112.91 111.56 3imw h THR 75 Ca 0.44 -1.43 -0.02 0.00 -0.55 0.00 0.00 66.41 64.86 3imw h THR 75 Cb 0.71 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3imw h THR 75 CO 1.62 0.44 0.06 0.50 -0.25 0.00 0.00 175.52 177.89 3imw h LYS 76 N 0.38 0.31 -0.57 4.72 3.64 -1.72 -1.48 116.57 121.84 3imw h LYS 76 Ca 0.04 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3imw h LYS 76 Cb 0.78 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 3imw h LYS 76 CO 0.06 0.40 0.38 0.77 -2.27 0.00 0.00 179.45 178.80 3imw h SER 77 N 0.15 0.64 0.24 4.20 0.02 -1.81 0.97 113.55 117.95 3imw h SER 77 Ca 0.06 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3imw h SER 77 Cb 0.23 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3imw h SER 77 CO -0.00 0.46 -0.12 0.22 -1.14 0.00 0.00 176.83 176.25 3imw h TYR 78 N 0.75 -0.30 -0.56 3.45 3.20 -1.10 -1.13 116.97 121.28 3imw h TYR 78 Ca 0.21 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3imw h TYR 78 Cb -0.05 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3imw h TYR 78 CO -0.00 -0.04 0.11 -1.49 -1.64 0.00 0.00 178.16 175.10 3imw h TRP 79 N -0.54 0.97 -0.27 -3.82 4.06 -0.98 -2.80 115.95 112.57 3imw h TRP 79 Ca -0.03 -0.13 -0.12 0.00 2.06 0.00 0.00 58.89 60.68 3imw h TRP 79 Cb 0.40 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3imw h TRP 79 CO -0.00 0.84 -0.32 0.87 -3.56 0.00 0.00 178.44 176.27 3imw h LYS 80 N 0.81 0.57 0.00 0.49 1.57 -0.64 -1.10 116.57 118.27 3imw h LYS 80 Ca 0.17 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3imw h LYS 80 Cb 0.38 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3imw h LYS 80 CO 0.01 0.81 -0.01 0.00 -0.57 0.00 0.00 179.45 179.70 3imw h ALA 81 N 1.17 1.02 -0.00 3.86 0.00 -0.97 -1.84 119.26 122.49 3imw h ALA 81 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3imw h ALA 81 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3imw h ALA 81 CO 0.06 0.01 -0.06 1.28 0.00 0.00 0.00 179.25 180.54 3imw n LEU 82 N -3.12 0.28 0.00 0.00 4.77 -0.52 -4.95 117.00 113.46 3imw n LEU 82 Ca -0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3imw n LEU 82 Cb 0.17 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3imw n LEU 82 CO 0.23 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3imw n GLY 83 N 1.24 0.78 2.82 -0.72 0.00 -0.69 -5.08 105.19 103.54 3imw n GLY 83 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 3imw n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3imw s ILE 84 N -3.02 0.13 -0.56 -0.61 2.07 -0.60 -4.97 121.20 113.64 3imw s ILE 84 Ca 0.00 0.09 -0.21 0.00 -1.41 0.00 0.00 60.65 59.12 3imw s ILE 84 Cb 0.00 -0.22 0.06 0.00 0.13 0.00 0.00 42.46 42.44 3imw s ILE 84 CO 0.00 0.12 0.77 -0.44 -1.91 0.00 0.00 174.94 173.48 3imw s SER 85 N 0.88 6.23 0.59 4.50 0.01 -1.26 -2.79 113.70 121.85 3imw s SER 85 Ca -0.08 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.30 3imw s SER 85 Cb -0.12 -2.35 0.06 0.00 0.21 0.00 0.00 66.02 63.83 3imw s SER 85 CO -0.02 -1.11 0.82 -2.16 0.41 0.00 0.00 173.24 171.18 3imw s PRO 86 N 3.19 2.29 -0.14 12.44 0.04 -1.26 -5.01 135.00 146.56 3imw s PRO 86 Ca 0.19 -1.04 -0.29 0.00 0.04 0.00 0.00 61.00 59.90 3imw s PRO 86 Cb -0.18 -2.50 -0.26 0.00 0.04 0.00 0.00 34.50 31.61 3imw s PRO 86 CO 0.12 -0.89 0.79 0.35 0.04 0.00 0.00 177.00 177.41 3imw h PHE 87 N -0.02 0.00 -3.78 0.56 3.57 -1.52 -3.47 116.94 112.28 3imw h PHE 87 Ca -0.39 -0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.63 3imw h PHE 87 Cb 1.29 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 3imw h PHE 87 CO 0.22 0.98 0.14 -1.01 -2.23 0.00 0.00 178.31 176.41 3imw s HIS 88 N -2.30 3.39 0.13 0.41 3.76 -1.26 -4.98 115.29 114.44 3imw s HIS 88 Ca -0.19 1.23 -0.10 0.00 -0.15 0.00 0.00 55.06 55.85 3imw s HIS 88 Cb -0.03 -2.56 -0.06 0.00 1.11 0.00 0.00 32.58 31.04 3imw s HIS 88 CO 0.69 0.01 1.42 0.93 -0.85 0.00 0.00 174.74 176.93 3imw h GLU 89 N 1.94 0.84 -2.16 1.40 4.39 -1.98 -3.37 114.58 115.64 3imw h GLU 89 Ca -0.48 -0.54 0.22 0.00 0.34 0.00 0.00 59.36 58.91 3imw h GLU 89 Cb 1.18 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.82 3imw h GLU 89 CO 0.64 1.17 0.62 -3.38 -1.16 0.00 0.00 179.01 176.90 3imw s HIS 90 N -4.10 -0.05 -0.17 4.33 -3.43 -1.26 -3.43 115.29 107.18 3imw s HIS 90 Ca -0.10 -0.22 -0.01 0.00 -0.80 0.00 0.00 55.06 53.93 3imw s HIS 90 Cb 0.10 0.63 -0.00 0.00 -1.43 0.00 0.00 32.58 31.88 3imw s HIS 90 CO 0.89 -0.69 -0.13 0.00 -2.00 0.00 0.00 174.74 172.81 3imw s ALA 91 N -2.72 2.58 -0.12 -1.38 0.00 -0.38 -4.88 121.76 114.87 3imw s ALA 91 Ca 0.16 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 3imw s ALA 91 Cb -0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3imw s ALA 91 CO 0.01 -0.13 -0.12 -1.21 0.00 0.00 0.00 175.76 174.32 3imw s GLU 92 N 0.97 3.29 -0.21 0.00 2.02 -1.26 -0.59 118.70 122.92 3imw s GLU 92 Ca -0.02 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.33 3imw s GLU 92 Cb -0.15 -2.63 0.03 0.00 0.10 0.00 0.00 34.13 31.48 3imw s GLU 92 CO -0.02 0.29 -0.16 0.08 0.02 0.00 0.00 175.26 175.47 3imw s VAL 93 N 0.16 2.04 -0.10 2.63 1.01 0.13 -4.96 120.40 121.31 3imw s VAL 93 Ca -0.06 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.80 3imw s VAL 93 Cb -0.15 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3imw s VAL 93 CO 0.05 0.33 -0.20 -0.69 0.00 0.00 0.00 175.10 174.58 3imw s VAL 94 N 1.25 1.78 -0.04 2.92 1.01 -1.26 -0.23 120.40 125.83 3imw s VAL 94 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 3imw s VAL 94 Cb -0.15 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.72 3imw s VAL 94 CO -0.10 0.50 0.61 0.72 0.00 0.00 0.00 175.10 176.82 3imw s PHE 95 N 0.53 -0.56 0.07 5.22 -0.71 -0.38 -5.00 117.98 117.15 3imw s PHE 95 Ca -0.16 0.94 -0.30 0.00 -1.04 0.00 0.00 56.93 56.37 3imw s PHE 95 Cb -0.17 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.94 3imw s PHE 95 CO 0.06 -0.57 1.03 0.99 -1.34 0.00 0.00 175.22 175.39 3imw s THR 96 N -1.27 4.45 0.04 -4.49 2.01 -1.26 -0.73 115.64 114.39 3imw s THR 96 Ca -0.11 1.89 0.08 0.00 0.31 0.00 0.00 61.69 63.85 3imw s THR 96 Cb -0.01 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 3imw s THR 96 CO 0.08 0.22 -0.22 0.00 -0.69 0.00 0.00 174.62 174.01 3imw s ALA 97 N 0.52 1.84 -1.29 7.40 0.00 0.02 -4.83 121.76 125.42 3imw s ALA 97 Ca 0.51 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3imw s ALA 97 Cb -0.25 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3imw s ALA 97 CO 0.30 0.42 0.00 0.09 0.00 0.00 0.00 175.76 176.57 3imw n ASN 98 N 1.85 -4.41 -0.02 0.00 3.02 -1.26 -2.47 115.26 111.98 3imw n ASN 98 Ca -0.17 0.25 0.15 0.00 -0.03 0.00 0.00 54.58 54.78 3imw n ASN 98 Cb 0.53 -3.13 0.73 0.00 -0.61 0.00 0.00 39.78 37.30 3imw n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3imw n ASP 99 N -0.10 0.07 -0.69 6.41 5.75 -1.26 -2.64 116.55 124.09 3imw n ASP 99 Ca -0.13 -0.19 0.06 0.00 -0.01 0.00 0.00 54.79 54.52 3imw n ASP 99 Cb 0.45 -0.25 0.17 0.00 -1.03 0.00 0.00 41.12 40.45 3imw n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3imw n SER 100 N -1.25 1.62 0.00 -1.12 7.64 -1.26 -5.08 113.62 114.16 3imw n SER 100 Ca 0.14 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.57 3imw n SER 100 Cb 0.25 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3imw n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3imw n GLY 101 N -0.86 0.62 3.75 0.23 0.00 -1.08 -4.99 105.19 102.86 3imw n GLY 101 Ca 0.16 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 3imw n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3imw s PRO 102 N -1.27 4.34 0.17 1.61 0.04 -1.26 -4.27 135.00 134.36 3imw s PRO 102 Ca 0.00 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.24 3imw s PRO 102 Cb 0.00 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 3imw s PRO 102 CO 0.00 -0.30 -0.05 1.03 0.04 0.00 0.00 177.00 177.73 3imw s ARG 103 N -0.51 1.11 -0.17 4.56 0.52 -1.26 -4.62 118.95 118.58 3imw s ARG 103 Ca 0.56 -1.51 -0.07 0.00 -0.52 0.00 0.00 55.73 54.19 3imw s ARG 103 Cb -0.39 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.57 3imw s ARG 103 CO 0.43 -0.03 0.06 1.03 0.02 0.00 0.00 175.30 176.80 3imw s ARG 104 N -3.83 3.86 -0.12 3.54 0.52 -0.05 -4.86 118.95 118.00 3imw s ARG 104 Ca 0.21 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 3imw s ARG 104 Cb 0.05 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.35 3imw s ARG 104 CO 0.03 0.34 -0.21 0.71 0.02 0.00 0.00 175.30 176.19 3imw s TYR 105 N 0.17 2.65 -0.20 -0.53 1.51 0.14 -1.03 117.35 120.06 3imw s TYR 105 Ca 0.04 -1.09 -0.02 0.00 -1.01 0.00 0.00 57.07 54.99 3imw s TYR 105 Cb -0.12 -1.78 -0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3imw s TYR 105 CO 0.01 -0.46 -0.09 0.99 -1.11 0.00 0.00 175.55 174.89 3imw s THR 106 N 0.54 3.04 -0.30 -0.71 2.01 0.30 -0.93 115.64 119.60 3imw s THR 106 Ca -0.13 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 3imw s THR 106 Cb -0.17 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 3imw s THR 106 CO 0.04 0.46 0.19 -0.63 -0.69 0.00 0.00 174.62 173.99 3imw s ILE 107 N 1.36 5.08 0.04 1.82 -1.09 -0.04 -0.97 121.20 127.41 3imw s ILE 107 Ca 0.05 -0.08 0.05 0.00 -2.23 0.00 0.00 60.65 58.44 3imw s ILE 107 Cb -0.14 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 3imw s ILE 107 CO -0.05 0.15 -0.10 0.00 -1.23 0.00 0.00 174.94 173.71 3imw s ALA 108 N 1.71 2.91 0.00 9.38 0.00 -0.46 -0.90 121.76 134.41 3imw s ALA 108 Ca 0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 3imw s ALA 108 Cb -0.16 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 3imw s ALA 108 CO 0.09 0.61 0.00 0.00 0.00 0.00 0.00 175.76 176.47 3imw s ALA 109 N -1.04 0.00 -0.21 0.00 0.00 -0.10 -1.50 121.76 118.91 3imw s ALA 109 Ca 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3imw s ALA 109 Cb -0.11 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.08 3imw s ALA 109 CO 0.09 -0.05 -0.13 -1.17 0.00 0.00 0.00 175.76 174.50 3imw s LEU 110 N -0.43 2.57 -0.10 0.00 2.96 -0.12 -0.99 118.68 122.58 3imw s LEU 110 Ca -0.05 -0.97 -0.03 0.00 -0.22 0.00 0.00 54.13 52.86 3imw s LEU 110 Cb -0.03 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 3imw s LEU 110 CO -0.00 -0.12 0.01 -0.76 -1.32 0.00 0.00 176.35 174.16 3imw s LEU 111 N 1.28 3.60 0.24 -0.68 1.43 0.02 -1.71 118.68 122.87 3imw s LEU 111 Ca -0.02 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3imw s LEU 111 Cb -0.16 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3imw s LEU 111 CO -0.09 0.34 0.03 -0.44 0.23 0.00 0.00 176.35 176.43 3imw s SER 112 N -0.64 1.56 0.36 2.29 0.01 0.13 -0.98 113.70 116.42 3imw s SER 112 Ca 0.11 -1.27 0.06 0.00 1.31 0.00 0.00 55.95 56.15 3imw s SER 112 Cb -0.12 0.07 0.67 0.00 0.21 0.00 0.00 66.02 66.85 3imw s SER 112 CO 0.02 -0.60 1.90 -0.65 0.41 0.00 0.00 173.24 174.32 3imw h PRO 113 N 2.46 0.44 -0.16 12.44 0.11 -1.99 -2.90 132.00 142.40 3imw h PRO 113 Ca -0.38 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3imw h PRO 113 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3imw h PRO 113 CO 0.63 0.49 0.00 0.66 -0.21 0.00 0.00 178.00 179.57 3imw n TYR 114 N -4.29 0.41 -3.49 0.65 4.02 -1.26 -1.21 117.16 111.99 3imw n TYR 114 Ca 0.01 -0.76 -0.16 0.00 -0.01 0.00 0.00 57.90 56.98 3imw n TYR 114 Cb 0.24 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.35 3imw n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3imw s SER 115 N -1.80 -0.63 0.06 7.72 0.15 -1.10 -4.95 113.70 113.15 3imw s SER 115 Ca 0.27 0.53 -0.12 0.00 0.70 0.00 0.00 55.95 57.34 3imw s SER 115 Cb 0.21 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 65.09 3imw s SER 115 CO 0.07 -0.70 0.26 -0.72 1.20 0.00 0.00 173.24 173.35 3imw s TYR 116 N -1.86 -0.01 0.17 3.44 -0.85 -1.26 -0.70 117.35 116.29 3imw s TYR 116 Ca -0.08 -0.24 0.10 0.00 -0.52 0.00 0.00 57.07 56.33 3imw s TYR 116 Cb -0.00 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 3imw s TYR 116 CO 0.04 -0.51 -0.21 -1.54 -1.52 0.00 0.00 175.55 171.81 3imw s SER 117 N -2.34 2.97 -0.01 -0.18 1.04 -0.70 -4.98 113.70 109.51 3imw s SER 117 Ca -0.02 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 55.54 3imw s SER 117 Cb 0.01 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 3imw s SER 117 CO -0.06 0.04 0.06 0.28 0.98 0.00 0.00 173.24 174.54 3imw s THR 118 N -1.80 0.05 0.19 2.02 -1.32 -1.26 -0.94 115.64 112.57 3imw s THR 118 Ca 0.17 -0.39 -0.02 0.00 -1.21 0.00 0.00 61.69 60.24 3imw s THR 118 Cb -0.07 -0.22 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 3imw s THR 118 CO 0.08 -0.21 0.15 0.28 -2.21 0.00 0.00 174.62 172.70 3imw s THR 119 N -0.66 0.02 0.03 5.08 -1.32 -0.56 -5.00 115.64 113.22 3imw s THR 119 Ca -0.07 -1.91 0.06 0.00 -1.21 0.00 0.00 61.69 58.56 3imw s THR 119 Cb -0.05 -2.35 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 3imw s THR 119 CO 0.00 -0.11 -0.18 0.00 -2.21 0.00 0.00 174.62 172.12 3imw s ALA 120 N -4.12 1.51 -0.19 11.08 0.00 -1.26 -1.35 121.76 127.43 3imw s ALA 120 Ca 0.34 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 3imw s ALA 120 Cb 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3imw s ALA 120 CO 0.09 0.33 -0.16 0.08 0.00 0.00 0.00 175.76 176.10 3imw s VAL 121 N -0.70 2.35 -0.15 0.00 1.01 -0.14 -4.99 120.40 117.78 3imw s VAL 121 Ca 0.06 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3imw s VAL 121 Cb -0.08 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3imw s VAL 121 CO 0.01 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 3imw s VAL 122 N 1.33 2.04 0.11 2.92 1.01 -1.26 -0.54 120.40 126.01 3imw s VAL 122 Ca 0.05 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.13 3imw s VAL 122 Cb -0.13 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3imw s VAL 122 CO -0.11 0.54 -0.15 0.42 0.00 0.00 0.00 175.10 175.81 3imw s THR 123 N 0.96 1.36 -0.35 3.92 -4.23 -0.19 -4.97 115.64 112.14 3imw s THR 123 Ca -0.03 -1.63 -0.09 0.00 -1.18 0.00 0.00 61.69 58.76 3imw s THR 123 Cb -0.15 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.26 3imw s THR 123 CO -0.05 -0.33 0.15 0.21 -0.54 0.00 0.00 174.62 174.06 3imw s ASN 124 N -2.26 5.50 0.00 3.99 3.84 -1.26 -0.87 114.94 123.88 3imw s ASN 124 Ca 0.07 -0.98 0.17 0.00 0.21 0.00 0.00 52.86 52.32 3imw s ASN 124 Cb -0.07 -1.95 1.01 0.00 -0.55 0.00 0.00 41.25 39.69 3imw s ASN 124 CO 0.03 -0.33 1.41 -0.81 -2.79 0.00 0.00 177.10 174.61