#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imr s LEU 12 N 0.00 0.53 0.10 1.53 2.96 -1.26 -0.34 118.68 122.21 3imr s LEU 12 Ca 0.00 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3imr s LEU 12 Cb 0.00 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 3imr s LEU 12 CO 0.00 -0.25 -0.15 0.00 -1.32 0.00 0.00 176.35 174.64 3imr s MET 13 N 2.03 0.96 -0.02 1.98 0.23 -0.02 -4.39 119.30 120.08 3imr s MET 13 Ca 0.04 -1.13 0.05 0.00 -1.03 0.00 0.00 55.69 53.62 3imr s MET 13 Cb -0.13 -0.93 -0.01 0.00 -1.53 0.00 0.00 34.83 32.23 3imr s MET 13 CO -0.06 0.19 -0.18 0.08 -2.03 0.00 0.00 175.02 173.02 3imr s VAL 14 N -1.73 1.47 -0.03 5.16 1.01 -0.89 -1.11 120.40 124.27 3imr s VAL 14 Ca 0.05 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3imr s VAL 14 Cb -0.07 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3imr s VAL 14 CO 0.03 0.42 -0.06 -0.75 0.00 0.00 0.00 175.10 174.73 3imr s LYS 15 N -0.35 0.79 -0.04 2.72 2.20 -0.39 -0.68 119.74 123.99 3imr s LYS 15 Ca 0.05 -0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 3imr s LYS 15 Cb -0.08 -0.77 0.01 0.00 -1.51 0.00 0.00 37.83 35.48 3imr s LYS 15 CO -0.00 0.03 -0.11 0.08 -0.36 0.00 0.00 175.35 174.99 3imr s VAL 16 N 0.45 0.97 0.13 4.02 1.01 -0.03 -1.05 120.40 125.89 3imr s VAL 16 Ca -0.06 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3imr s VAL 16 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3imr s VAL 16 CO 0.00 0.30 -0.19 -0.76 0.00 0.00 0.00 175.10 174.46 3imr s LEU 17 N 0.35 2.38 -0.24 3.92 1.43 -0.29 -1.08 118.68 125.15 3imr s LEU 17 Ca -0.07 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 3imr s LEU 17 Cb -0.12 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.31 3imr s LEU 17 CO 0.02 -0.01 -0.05 -0.62 0.23 0.00 0.00 176.35 175.91 3imr s ASP 18 N -2.33 4.30 0.02 2.29 -1.08 0.75 -0.89 116.67 119.73 3imr s ASP 18 Ca 0.11 -0.63 0.28 0.00 -0.52 0.00 0.00 52.55 51.79 3imr s ASP 18 Cb -0.07 -1.71 1.11 0.00 -1.46 0.00 0.00 42.92 40.80 3imr s ASP 18 CO 0.05 -0.08 1.86 0.00 0.52 0.00 0.00 175.17 177.52 3imr n ALA 19 N 4.74 2.46 -0.03 3.66 0.00 -0.11 -1.23 120.51 130.00 3imr n ALA 19 Ca -0.17 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 3imr n ALA 19 Cb 0.49 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 3imr n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3imr h VAL 20 N 0.00 0.96 0.00 0.00 2.07 -1.95 -3.39 116.25 113.94 3imr h VAL 20 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3imr h VAL 20 Cb 0.52 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 3imr h VAL 20 CO 0.00 0.63 -1.10 0.54 0.02 0.00 0.00 177.57 177.65 3imr n ARG 21 N -4.02 0.27 -2.93 1.57 1.74 -1.25 -5.01 116.66 107.04 3imr n ARG 21 Ca -0.28 -0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 56.67 3imr n ARG 21 Cb 0.85 -1.57 0.06 0.00 -1.02 0.00 0.00 32.46 30.78 3imr n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3imr n GLY 22 N 1.38 -0.08 3.35 -0.13 0.00 -0.37 -5.02 105.19 104.33 3imr n GLY 22 Ca 0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 3imr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3imr s SER 23 N -3.87 0.01 0.68 1.61 1.04 -1.05 -5.00 113.70 107.12 3imr s SER 23 Ca 0.00 -0.81 -0.17 0.00 0.48 0.00 0.00 55.95 55.46 3imr s SER 23 Cb -0.00 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 3imr s SER 23 CO 0.47 -0.90 1.09 -0.81 0.98 0.00 0.00 173.24 174.08 3imr n PRO 24 N -0.22 0.76 -3.18 4.02 -0.04 -1.26 -0.18 135.00 134.90 3imr n PRO 24 Ca -0.08 0.31 -0.44 0.00 -0.04 0.00 0.00 63.50 63.25 3imr n PRO 24 Cb 0.63 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 3imr n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3imr s ALA 25 N -1.63 3.41 0.06 0.55 0.00 -0.24 -4.55 121.76 119.36 3imr s ALA 25 Ca 0.77 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 3imr s ALA 25 Cb -0.37 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 3imr s ALA 25 CO 0.46 -2.01 0.46 0.42 0.00 0.00 0.00 175.76 175.09 3imr s ILE 26 N 2.52 4.96 -1.40 0.00 1.01 -1.26 -4.30 121.20 122.73 3imr s ILE 26 Ca 0.13 0.81 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 3imr s ILE 26 Cb -0.20 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3imr s ILE 26 CO 0.11 0.44 0.14 0.59 0.00 0.00 0.00 174.94 176.21 3imr n ASN 27 N 1.37 -5.08 -4.69 3.58 3.02 -0.29 -4.95 115.26 108.23 3imr n ASN 27 Ca -0.10 -0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 53.96 3imr n ASN 27 Cb 0.52 -4.10 -0.04 0.00 -0.61 0.00 0.00 39.78 35.55 3imr n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3imr s VAL 28 N -2.91 4.95 0.20 2.41 1.01 -1.26 -4.74 120.40 120.07 3imr s VAL 28 Ca 0.07 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.33 3imr s VAL 28 Cb -0.03 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 3imr s VAL 28 CO 0.09 0.14 1.16 0.00 0.00 0.00 0.00 175.10 176.48 3imr s ALA 29 N 1.47 3.42 -0.07 5.51 0.00 -1.26 -1.12 121.76 129.70 3imr s ALA 29 Ca 0.39 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.27 3imr s ALA 29 Cb -0.17 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.58 3imr s ALA 29 CO 0.16 -0.31 -0.09 0.08 0.00 0.00 0.00 175.76 175.61 3imr s VAL 30 N -0.25 0.92 -0.05 0.00 1.01 -0.31 -0.87 120.40 120.84 3imr s VAL 30 Ca 0.51 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.23 3imr s VAL 30 Cb -0.32 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3imr s VAL 30 CO 0.37 0.32 -0.23 -1.00 0.00 0.00 0.00 175.10 174.56 3imr s HIS 31 N 1.06 2.49 -0.04 5.22 3.76 -0.13 -1.38 115.29 126.25 3imr s HIS 31 Ca -0.08 -0.58 0.05 0.00 -0.15 0.00 0.00 55.06 54.31 3imr s HIS 31 Cb -0.14 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 31.92 3imr s HIS 31 CO -0.01 -0.12 -0.20 0.08 -0.85 0.00 0.00 174.74 173.64 3imr s VAL 32 N -0.30 2.58 0.06 -0.90 1.01 0.73 -0.14 120.40 123.44 3imr s VAL 32 Ca 0.01 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3imr s VAL 32 Cb -0.13 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3imr s VAL 32 CO 0.02 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.21 3imr s PHE 33 N -0.59 1.17 -0.05 5.22 0.40 0.11 -0.81 117.98 123.43 3imr s PHE 33 Ca 0.09 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 3imr s PHE 33 Cb -0.11 -0.68 -0.02 0.00 0.51 0.00 0.00 43.02 42.72 3imr s PHE 33 CO 0.00 0.04 -0.18 0.50 0.70 0.00 0.00 175.22 176.29 3imr s ARG 34 N -1.46 2.48 0.05 0.44 3.52 0.10 -0.96 118.95 123.12 3imr s ARG 34 Ca -0.01 -0.76 -0.31 0.00 -0.13 0.00 0.00 55.73 54.52 3imr s ARG 34 Cb -0.09 -2.30 -0.06 0.00 -1.56 0.00 0.00 34.95 30.94 3imr s ARG 34 CO 0.02 0.56 1.22 0.21 -0.81 0.00 0.00 175.30 176.50 3imr s LYS 35 N -0.58 4.41 0.61 5.12 2.20 -0.13 -1.26 119.74 130.10 3imr s LYS 35 Ca 0.08 1.79 0.03 0.00 -0.36 0.00 0.00 55.97 57.52 3imr s LYS 35 Cb -0.11 -3.38 0.08 0.00 -1.51 0.00 0.00 37.83 32.91 3imr s LYS 35 CO 0.01 -0.31 0.84 0.00 -0.36 0.00 0.00 175.35 175.53 3imr s ALA 36 N 1.27 4.09 0.20 3.13 0.00 -0.32 -4.75 121.76 125.37 3imr s ALA 36 Ca 0.59 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 3imr s ALA 36 Cb -0.30 -1.85 0.23 0.00 0.00 0.00 0.00 23.12 21.20 3imr s ALA 36 CO 0.28 -0.99 1.75 0.00 0.00 0.00 0.00 175.76 176.80 3imr h ALA 37 N -0.07 0.71 0.00 0.00 0.00 -1.95 -0.78 119.26 117.17 3imr h ALA 37 Ca -0.37 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3imr h ALA 37 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3imr h ALA 37 CO 0.44 -0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 3imr n ASP 38 N -5.00 0.27 -0.48 0.00 5.68 -1.26 -4.87 116.55 110.88 3imr n ASP 38 Ca 0.07 -1.96 -0.06 0.00 -0.50 0.00 0.00 54.79 52.34 3imr n ASP 38 Cb 0.24 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 3imr n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3imr n ASP 39 N -0.36 -4.83 -4.98 -1.12 8.00 -0.30 -5.02 116.55 107.94 3imr n ASP 39 Ca 0.00 0.15 -0.20 0.00 0.71 0.00 0.00 54.79 55.46 3imr n ASP 39 Cb 0.07 -2.88 0.03 0.00 -0.02 0.00 0.00 41.12 38.31 3imr n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3imr s THR 40 N -1.87 2.79 -0.37 -3.53 -4.23 -1.26 -4.83 115.64 102.34 3imr s THR 40 Ca 0.00 -0.76 -0.15 0.00 -1.18 0.00 0.00 61.69 59.60 3imr s THR 40 Cb 0.00 -3.01 -0.00 0.00 1.34 0.00 0.00 72.50 70.83 3imr s THR 40 CO 0.00 -0.00 0.32 0.26 -0.54 0.00 0.00 174.62 174.65 3imr s TRP 41 N -2.64 3.22 -0.14 3.99 0.52 -1.26 -1.18 118.94 121.45 3imr s TRP 41 Ca 0.56 -0.26 -0.13 0.00 0.02 0.00 0.00 56.10 56.30 3imr s TRP 41 Cb -0.10 -2.62 -0.05 0.00 -1.15 0.00 0.00 33.47 29.55 3imr s TRP 41 CO 0.37 -0.48 0.27 -1.83 0.02 0.00 0.00 176.95 175.29 3imr s GLU 42 N 1.86 4.10 0.27 4.98 -1.05 -0.39 -4.91 118.70 123.56 3imr s GLU 42 Ca 0.08 0.06 -0.29 0.00 -0.15 0.00 0.00 54.97 54.67 3imr s GLU 42 Cb -0.17 -3.37 -0.14 0.00 -0.44 0.00 0.00 34.13 30.01 3imr s GLU 42 CO 0.11 0.37 1.11 -2.30 0.95 0.00 0.00 175.26 175.50 3imr n PRO 43 N 3.14 1.46 0.00 -4.83 -0.02 -1.26 -0.72 135.00 132.77 3imr n PRO 43 Ca -0.14 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3imr n PRO 43 Cb 0.52 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3imr n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3imr n PHE 44 N 0.66 0.00 -3.52 6.00 7.35 0.01 -4.75 117.46 123.21 3imr n PHE 44 Ca 0.10 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.70 3imr n PHE 44 Cb 0.31 0.09 -0.02 0.00 0.35 0.00 0.00 39.48 40.21 3imr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3imr s ALA 45 N -1.87 -1.67 0.20 3.13 0.00 -0.96 -5.00 121.76 115.58 3imr s ALA 45 Ca 0.00 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 3imr s ALA 45 Cb 0.00 0.67 0.05 0.00 0.00 0.00 0.00 23.12 23.83 3imr s ALA 45 CO 0.00 -0.78 0.79 -1.54 0.00 0.00 0.00 175.76 174.22 3imr s SER 46 N -2.67 -0.29 -0.05 0.00 1.04 -1.26 -0.19 113.70 110.27 3imr s SER 46 Ca 0.05 -0.39 -0.18 0.00 0.48 0.00 0.00 55.95 55.90 3imr s SER 46 Cb -0.01 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.77 3imr s SER 46 CO -0.08 -1.08 0.81 0.61 0.98 0.00 0.00 173.24 174.47 3imr n GLY 47 N -0.43 0.24 3.19 7.32 0.00 -0.48 -4.97 105.19 110.05 3imr n GLY 47 Ca -0.07 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 3imr n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imr s LYS 48 N -2.00 1.69 0.53 1.61 -0.14 -1.26 -1.16 119.74 119.01 3imr s LYS 48 Ca 0.19 -0.69 -0.22 0.00 -1.36 0.00 0.00 55.97 53.90 3imr s LYS 48 Cb -0.00 -1.57 -0.05 0.00 -1.68 0.00 0.00 37.83 34.53 3imr s LYS 48 CO -0.01 0.37 1.37 0.95 -0.76 0.00 0.00 175.35 177.27 3imr s THR 49 N -0.31 2.05 0.82 2.17 -4.23 -0.28 -4.78 115.64 111.08 3imr s THR 49 Ca 0.04 0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.45 3imr s THR 49 Cb -0.09 -3.02 0.19 0.00 1.34 0.00 0.00 72.50 70.93 3imr s THR 49 CO 0.00 0.00 0.98 -1.54 -0.54 0.00 0.00 174.62 173.53 3imr n SER 50 N -0.91 -0.51 0.29 3.99 3.41 0.16 -1.13 113.62 118.93 3imr n SER 50 Ca 0.10 -1.27 0.20 0.00 -0.26 0.00 0.00 58.87 57.63 3imr n SER 50 Cb 0.44 -0.79 1.04 0.00 -0.26 0.00 0.00 64.21 64.64 3imr n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3imr h GLU 51 N 0.00 0.00 -0.31 4.33 4.39 -1.94 -0.41 114.58 120.64 3imr h GLU 51 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3imr h GLU 51 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3imr h GLU 51 CO 0.23 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.95 3imr n SER 52 N -2.86 2.75 -0.10 1.42 3.41 -1.26 -4.80 113.62 112.18 3imr n SER 52 Ca -0.02 -1.89 -0.01 0.00 -0.26 0.00 0.00 58.87 56.68 3imr n SER 52 Cb 0.07 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 3imr n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3imr n GLY 53 N 1.36 0.51 3.62 5.00 0.00 -0.16 -4.79 105.19 110.72 3imr n GLY 53 Ca 0.18 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3imr n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imr s GLU 54 N -1.31 2.33 -0.19 1.61 2.02 -1.26 -0.85 118.70 121.04 3imr s GLU 54 Ca 0.00 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.07 3imr s GLU 54 Cb 0.00 -2.42 0.05 0.00 0.10 0.00 0.00 34.13 31.86 3imr s GLU 54 CO 0.00 0.53 -0.06 -1.17 0.02 0.00 0.00 175.26 174.58 3imr s LEU 55 N -2.19 2.01 0.37 1.80 2.96 0.15 -0.66 118.68 123.11 3imr s LEU 55 Ca 0.23 -0.87 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 3imr s LEU 55 Cb -0.11 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3imr s LEU 55 CO 0.15 -0.20 0.17 -1.00 -1.32 0.00 0.00 176.35 174.16 3imr s HIS 56 N 1.52 2.67 -0.92 5.38 3.76 -1.26 -2.09 115.29 124.35 3imr s HIS 56 Ca -0.02 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 3imr s HIS 56 Cb -0.17 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.74 3imr s HIS 56 CO -0.07 0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 3imr n GLY 57 N -1.21 -0.07 0.23 -2.22 0.00 -1.26 -4.91 105.19 95.75 3imr n GLY 57 Ca -0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 3imr n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3imr h LEU 58 N 0.00 0.88 0.00 0.99 3.38 -1.86 -3.48 115.31 115.22 3imr h LEU 58 Ca -0.26 -0.53 -0.24 0.00 0.09 0.00 0.00 57.88 56.95 3imr h LEU 58 Cb 1.19 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3imr h LEU 58 CO 0.30 1.24 -0.10 1.07 0.09 0.00 0.00 178.44 181.04 3imr n THR 59 N -4.11 0.00 -4.46 0.22 5.66 -1.26 -4.79 114.28 105.54 3imr n THR 59 Ca -0.05 -1.59 -0.23 0.00 -3.05 0.00 0.00 64.05 59.13 3imr n THR 59 Cb 0.58 1.02 -0.10 0.00 -1.55 0.00 0.00 70.33 70.28 3imr n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3imr s THR 60 N -2.72 1.91 0.21 1.09 -4.23 -1.26 -4.54 115.64 106.10 3imr s THR 60 Ca 0.26 -2.19 -0.09 0.00 -1.18 0.00 0.00 61.69 58.49 3imr s THR 60 Cb -0.01 -2.45 0.16 0.00 1.34 0.00 0.00 72.50 71.54 3imr s THR 60 CO 0.19 -0.31 1.84 -0.33 -0.54 0.00 0.00 174.62 175.46 3imr h GLU 61 N 2.24 0.81 -0.96 3.99 5.08 -2.00 -1.97 114.58 121.77 3imr h GLU 61 Ca -0.40 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 57.99 3imr h GLU 61 Cb 1.24 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.24 3imr h GLU 61 CO 0.67 0.54 0.62 0.93 -1.00 0.00 0.00 179.01 180.76 3imr h GLU 62 N 0.83 1.01 0.00 2.33 5.08 -2.04 -2.85 114.58 118.94 3imr h GLU 62 Ca 0.31 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3imr h GLU 62 Cb 0.09 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3imr h GLU 62 CO -0.14 0.67 -0.79 1.49 -1.00 0.00 0.00 179.01 179.24 3imr h GLU 63 N 1.04 0.00 -3.97 2.33 4.81 -1.84 -3.40 114.58 113.54 3imr h GLU 63 Ca 0.44 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.90 3imr h GLU 63 Cb 0.31 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.48 3imr h GLU 63 CO -0.19 0.37 1.25 0.34 -0.73 0.00 0.00 179.01 180.05 3imr n PHE 64 N -3.08 4.24 -2.42 0.92 7.35 -0.79 -4.97 117.46 118.71 3imr n PHE 64 Ca -0.02 -3.25 -0.24 0.00 -0.76 0.00 0.00 57.45 53.18 3imr n PHE 64 Cb 0.74 -1.91 0.05 0.00 0.35 0.00 0.00 39.48 38.71 3imr n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3imr s VAL 65 N 0.11 2.74 0.57 -2.13 -7.23 -1.26 -4.95 120.40 108.25 3imr s VAL 65 Ca 0.38 -0.36 -0.20 0.00 -1.81 0.00 0.00 61.98 59.99 3imr s VAL 65 Cb -0.01 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.77 3imr s VAL 65 CO -0.00 -0.10 1.14 -0.62 -0.31 0.00 0.00 175.10 175.20 3imr n GLU 66 N -2.63 1.24 0.00 4.82 1.02 -1.26 -4.87 120.64 118.95 3imr n GLU 66 Ca 0.07 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3imr n GLU 66 Cb 0.60 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 3imr n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3imr n GLY 67 N 1.06 -0.70 3.67 0.62 0.00 -1.16 -4.97 105.19 103.71 3imr n GLY 67 Ca 0.12 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 3imr n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imr s ILE 68 N -1.94 5.03 0.09 -0.61 1.01 -1.26 -0.64 121.20 122.88 3imr s ILE 68 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.78 3imr s ILE 68 Cb 0.00 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 3imr s ILE 68 CO 0.00 0.45 -0.20 -0.31 0.00 0.00 0.00 174.94 174.87 3imr s TYR 69 N 0.40 1.76 -0.11 3.97 1.51 -0.11 -0.95 117.35 123.81 3imr s TYR 69 Ca 0.05 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3imr s TYR 69 Cb -0.12 -0.98 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 3imr s TYR 69 CO -0.00 0.18 -0.19 0.21 -1.11 0.00 0.00 175.55 174.63 3imr s LYS 70 N -1.76 2.63 -0.25 -0.62 2.20 -0.13 -1.20 119.74 120.61 3imr s LYS 70 Ca 0.06 -0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 54.91 3imr s LYS 70 Cb -0.10 -2.12 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 3imr s LYS 70 CO 0.04 0.02 -0.01 0.08 -0.36 0.00 0.00 175.35 175.12 3imr s VAL 71 N 0.74 3.42 -0.20 4.02 1.01 0.78 -0.71 120.40 129.46 3imr s VAL 71 Ca -0.11 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3imr s VAL 71 Cb -0.16 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3imr s VAL 71 CO 0.02 0.27 -0.04 -0.70 0.00 0.00 0.00 175.10 174.65 3imr s GLU 72 N 1.45 3.48 -0.19 2.72 2.12 0.79 -0.58 118.70 128.49 3imr s GLU 72 Ca 0.03 -0.59 -0.04 0.00 0.36 0.00 0.00 54.97 54.73 3imr s GLU 72 Cb -0.16 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 3imr s GLU 72 CO -0.02 -0.04 -0.02 0.42 -0.54 0.00 0.00 175.26 175.06 3imr s ILE 73 N 1.09 3.79 -1.31 -3.70 1.01 0.10 -0.96 121.20 121.23 3imr s ILE 73 Ca 0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 3imr s ILE 73 Cb -0.15 -2.70 0.12 0.00 0.01 0.00 0.00 42.46 39.75 3imr s ILE 73 CO 0.00 0.44 1.82 0.47 0.00 0.00 0.00 174.94 177.67 3imr n ASP 74 N 4.16 4.81 0.07 3.58 10.43 -0.05 -1.21 116.55 138.35 3imr n ASP 74 Ca -0.17 -2.97 -0.02 0.00 2.57 0.00 0.00 54.79 54.19 3imr n ASP 74 Cb 0.52 -1.60 0.22 0.00 1.84 0.00 0.00 41.12 42.10 3imr n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3imr h THR 75 N 4.42 1.29 -0.44 -3.53 1.35 -1.87 -3.08 112.91 111.06 3imr h THR 75 Ca 0.43 -1.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.82 3imr h THR 75 Cb 0.74 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 3imr h THR 75 CO 1.55 0.44 0.15 0.50 -0.25 0.00 0.00 175.52 177.91 3imr h LYS 76 N 0.27 0.67 -0.51 4.72 3.64 -1.73 -1.68 116.57 121.94 3imr h LYS 76 Ca 0.03 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 3imr h LYS 76 Cb 0.77 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3imr h LYS 76 CO 0.06 0.64 0.10 0.77 -2.27 0.00 0.00 179.45 178.76 3imr h SER 77 N 0.57 0.74 0.31 4.20 0.02 -1.85 -1.42 113.55 116.12 3imr h SER 77 Ca 0.14 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3imr h SER 77 Cb 0.24 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3imr h SER 77 CO -0.01 0.74 -0.24 0.22 -1.14 0.00 0.00 176.83 176.40 3imr h TYR 78 N 0.76 -0.63 -0.60 3.45 3.20 -1.37 -1.58 116.97 120.19 3imr h TYR 78 Ca 0.16 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3imr h TYR 78 Cb 0.31 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3imr h TYR 78 CO 0.02 -0.36 -0.03 -1.49 -1.64 0.00 0.00 178.16 174.66 3imr h TRP 79 N -0.56 1.18 -0.92 -3.82 4.06 -1.12 -2.97 115.95 111.80 3imr h TRP 79 Ca -0.02 -0.22 0.06 0.00 2.06 0.00 0.00 58.89 60.77 3imr h TRP 79 Cb 0.49 -0.30 -0.06 0.00 -1.00 0.00 0.00 29.16 28.28 3imr h TRP 79 CO -0.13 1.05 0.60 0.87 -3.56 0.00 0.00 178.44 177.27 3imr h LYS 80 N 0.97 1.04 0.00 0.49 1.57 -1.19 -0.75 116.57 118.70 3imr h LYS 80 Ca 0.17 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3imr h LYS 80 Cb 0.60 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3imr h LYS 80 CO 0.04 0.69 -0.09 0.00 -0.57 0.00 0.00 179.45 179.52 3imr h ALA 81 N 1.49 1.54 -0.04 3.86 0.00 -1.13 -1.20 119.26 123.78 3imr h ALA 81 Ca 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3imr h ALA 81 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3imr h ALA 81 CO -0.14 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.49 3imr n LEU 82 N -3.97 1.88 -0.13 0.00 4.77 -0.45 -4.94 117.00 114.15 3imr n LEU 82 Ca -0.02 -0.65 -0.02 0.00 -0.03 0.00 0.00 56.01 55.29 3imr n LEU 82 Cb 0.18 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3imr n LEU 82 CO 0.31 0.32 -0.02 0.61 -1.33 0.00 0.00 177.39 177.29 3imr n GLY 83 N 1.22 0.50 3.42 -0.72 0.00 -0.45 -5.04 105.19 104.12 3imr n GLY 83 Ca 0.18 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3imr n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imr s ILE 84 N -2.06 2.86 -0.32 -0.61 1.01 -0.42 -5.00 121.20 116.66 3imr s ILE 84 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 60.65 59.65 3imr s ILE 84 Cb 0.00 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 3imr s ILE 84 CO 0.00 0.58 0.68 -0.55 0.00 0.00 0.00 174.94 175.65 3imr s SER 85 N -0.51 6.52 0.40 3.58 0.15 -1.26 -3.47 113.70 119.12 3imr s SER 85 Ca 0.07 0.43 0.07 0.00 0.70 0.00 0.00 55.95 57.21 3imr s SER 85 Cb -0.12 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 61.85 3imr s SER 85 CO 0.01 -0.55 0.55 -2.16 1.20 0.00 0.00 173.24 172.30 3imr s PRO 86 N 2.74 2.90 -0.21 5.44 0.04 -1.26 -4.89 135.00 139.77 3imr s PRO 86 Ca 0.27 -1.14 -0.20 0.00 0.04 0.00 0.00 61.00 59.97 3imr s PRO 86 Cb -0.15 -2.76 -0.17 0.00 0.04 0.00 0.00 34.50 31.46 3imr s PRO 86 CO 0.13 -0.20 0.14 0.34 0.04 0.00 0.00 177.00 177.45 3imr n PHE 87 N -1.82 0.94 -2.79 0.56 7.35 -0.21 -4.95 117.46 116.55 3imr n PHE 87 Ca 0.06 0.41 -0.36 0.00 -0.76 0.00 0.00 57.45 56.80 3imr n PHE 87 Cb 0.59 -1.06 -0.07 0.00 0.35 0.00 0.00 39.48 39.29 3imr n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3imr s HIS 88 N -2.36 3.59 0.19 -5.13 3.76 -1.26 -4.98 115.29 109.09 3imr s HIS 88 Ca -0.28 1.74 -0.08 0.00 -0.15 0.00 0.00 55.06 56.28 3imr s HIS 88 Cb 0.06 -2.91 0.08 0.00 1.11 0.00 0.00 32.58 30.93 3imr s HIS 88 CO 0.55 0.11 1.62 0.93 -0.85 0.00 0.00 174.74 177.11 3imr h GLU 89 N 2.84 1.01 -2.52 1.40 4.39 -1.98 -3.37 114.58 116.35 3imr h GLU 89 Ca -0.47 -0.36 0.14 0.00 0.34 0.00 0.00 59.36 59.02 3imr h GLU 89 Cb 1.19 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.71 3imr h GLU 89 CO 0.64 1.04 0.47 -3.38 -1.16 0.00 0.00 179.01 176.62 3imr s HIS 90 N -4.88 -0.04 -0.11 4.33 -3.43 -1.26 -3.52 115.29 106.37 3imr s HIS 90 Ca -0.11 -0.34 0.00 0.00 -0.80 0.00 0.00 55.06 53.81 3imr s HIS 90 Cb 0.13 0.69 -0.02 0.00 -1.43 0.00 0.00 32.58 31.95 3imr s HIS 90 CO 0.86 -0.97 -0.11 0.00 -2.00 0.00 0.00 174.74 172.51 3imr s ALA 91 N -2.88 2.72 -0.06 -1.38 0.00 -0.35 -4.88 121.76 114.93 3imr s ALA 91 Ca 0.15 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3imr s ALA 91 Cb -0.02 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.91 3imr s ALA 91 CO 0.05 0.35 -0.05 -1.21 0.00 0.00 0.00 175.76 174.89 3imr s GLU 92 N -0.01 1.01 -0.21 0.00 8.01 -1.26 0.03 118.70 126.27 3imr s GLU 92 Ca -0.03 -0.14 -0.01 0.00 0.01 0.00 0.00 54.97 54.81 3imr s GLU 92 Cb -0.14 -1.03 0.02 0.00 -4.31 0.00 0.00 34.13 28.67 3imr s GLU 92 CO 0.04 -0.12 -0.13 0.08 0.01 0.00 0.00 175.26 175.14 3imr s VAL 93 N 1.13 2.53 -0.12 2.63 1.01 0.25 -4.95 120.40 122.88 3imr s VAL 93 Ca -0.07 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3imr s VAL 93 Cb -0.14 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3imr s VAL 93 CO -0.01 0.41 -0.22 -0.69 0.00 0.00 0.00 175.10 174.59 3imr s VAL 94 N 1.33 2.17 0.14 2.92 1.01 -1.26 -0.15 120.40 126.56 3imr s VAL 94 Ca 0.03 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 3imr s VAL 94 Cb -0.14 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.42 3imr s VAL 94 CO -0.09 0.55 0.44 0.72 0.00 0.00 0.00 175.10 176.73 3imr s PHE 95 N 0.56 -0.23 -0.13 5.22 -0.71 -0.34 -4.99 117.98 117.35 3imr s PHE 95 Ca -0.13 -0.07 -0.11 0.00 -1.04 0.00 0.00 56.93 55.58 3imr s PHE 95 Cb -0.17 0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 3imr s PHE 95 CO 0.04 -0.75 0.22 0.99 -1.34 0.00 0.00 175.22 174.38 3imr s THR 96 N -3.81 5.36 -0.14 -4.49 2.01 -1.26 -0.93 115.64 112.38 3imr s THR 96 Ca 0.04 0.39 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 3imr s THR 96 Cb 0.01 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3imr s THR 96 CO -0.11 0.50 0.60 0.00 -0.69 0.00 0.00 174.62 174.93 3imr s ALA 97 N -0.26 3.46 -0.05 7.40 0.00 0.19 -4.97 121.76 127.52 3imr s ALA 97 Ca 0.15 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.00 3imr s ALA 97 Cb -0.13 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3imr s ALA 97 CO 0.04 -0.25 -0.09 1.21 0.00 0.00 0.00 175.76 176.66 3imr s ASN 98 N 0.91 1.39 0.37 0.00 3.04 -1.26 -2.96 114.94 116.43 3imr s ASN 98 Ca 0.30 -0.22 0.16 0.00 0.04 0.00 0.00 52.86 53.14 3imr s ASN 98 Cb -0.16 -0.62 0.73 0.00 -1.54 0.00 0.00 41.25 39.66 3imr s ASN 98 CO 0.13 0.01 1.79 0.44 -3.04 0.00 0.00 177.10 176.42 3imr h ASP 99 N 6.95 0.00 0.32 -4.21 3.32 -1.97 -2.99 116.42 117.84 3imr h ASP 99 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3imr h ASP 99 Cb 1.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 3imr h ASP 99 CO 0.48 0.39 -0.36 0.28 -1.72 0.00 0.00 179.24 178.31 3imr h SER 100 N 0.00 -0.98 -3.51 6.45 0.02 -2.04 -3.43 113.55 110.05 3imr h SER 100 Ca -0.00 0.09 -0.50 0.00 -0.84 0.00 0.00 61.79 60.53 3imr h SER 100 Cb 0.77 0.34 0.21 0.00 0.14 0.00 0.00 62.40 63.86 3imr h SER 100 CO 0.05 -0.49 -0.28 0.61 -1.14 0.00 0.00 176.83 175.58 3imr n GLY 101 N -1.46 -1.53 3.24 -3.77 0.00 -1.13 -4.98 105.19 95.57 3imr n GLY 101 Ca -0.09 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 3imr n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3imr n PRO 102 N -3.17 -1.30 -0.05 1.61 -0.02 -1.26 -4.95 135.00 125.86 3imr n PRO 102 Ca 0.07 -0.36 -0.08 0.00 -2.02 0.00 0.00 63.50 61.10 3imr n PRO 102 Cb 0.54 -1.61 -0.14 0.00 -0.02 0.00 0.00 33.50 32.27 3imr n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3imr n ARG 103 N -1.39 0.65 -4.42 -0.52 5.12 -0.90 -4.77 116.66 110.43 3imr n ARG 103 Ca 0.01 0.18 -0.34 0.00 -1.93 0.00 0.00 57.85 55.77 3imr n ARG 103 Cb 0.64 -1.69 -0.13 0.00 -1.16 0.00 0.00 32.46 30.12 3imr n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3imr s ARG 104 N -2.59 3.61 -0.18 5.56 0.52 -0.24 -4.78 118.95 120.85 3imr s ARG 104 Ca -0.06 -0.55 -0.04 0.00 -0.52 0.00 0.00 55.73 54.56 3imr s ARG 104 Cb 0.07 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 3imr s ARG 104 CO 0.83 0.21 -0.04 0.71 0.02 0.00 0.00 175.30 177.03 3imr s TYR 105 N 0.44 2.99 -0.17 -0.53 1.51 0.54 -1.58 117.35 120.55 3imr s TYR 105 Ca -0.05 -0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 55.44 3imr s TYR 105 Cb -0.14 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 3imr s TYR 105 CO 0.03 -0.26 -0.07 0.99 -1.11 0.00 0.00 175.55 175.14 3imr s THR 106 N 0.87 3.42 -0.27 -0.71 2.01 0.31 -0.84 115.64 120.43 3imr s THR 106 Ca -0.01 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 3imr s THR 106 Cb -0.15 -2.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.86 3imr s THR 106 CO 0.01 0.47 0.05 -0.63 -0.69 0.00 0.00 174.62 173.84 3imr s ILE 107 N 0.81 3.91 0.03 1.82 -1.09 -0.27 -0.89 121.20 125.53 3imr s ILE 107 Ca -0.02 -0.53 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 3imr s ILE 107 Cb -0.15 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.77 3imr s ILE 107 CO 0.01 0.21 -0.10 0.00 -1.23 0.00 0.00 174.94 173.84 3imr s ALA 108 N 1.52 2.92 -0.02 9.38 0.00 -0.40 -1.27 121.76 133.89 3imr s ALA 108 Ca 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3imr s ALA 108 Cb -0.16 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 21.97 3imr s ALA 108 CO 0.01 0.61 -0.00 0.00 0.00 0.00 0.00 175.76 176.38 3imr s ALA 109 N -1.02 0.21 -0.25 0.00 0.00 -0.22 -1.64 121.76 118.84 3imr s ALA 109 Ca 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 3imr s ALA 109 Cb -0.11 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3imr s ALA 109 CO 0.08 -0.03 -0.02 -1.17 0.00 0.00 0.00 175.76 174.62 3imr s LEU 110 N 0.58 3.24 -0.16 0.00 2.96 0.05 -1.14 118.68 124.20 3imr s LEU 110 Ca -0.05 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.11 3imr s LEU 110 Cb -0.08 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3imr s LEU 110 CO -0.01 -0.11 0.07 -0.76 -1.32 0.00 0.00 176.35 174.22 3imr s LEU 111 N 1.41 3.89 0.26 -0.68 1.43 -0.07 -1.39 118.68 123.54 3imr s LEU 111 Ca 0.03 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 3imr s LEU 111 Cb -0.16 -1.97 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 3imr s LEU 111 CO -0.03 0.24 0.01 -0.44 0.23 0.00 0.00 176.35 176.36 3imr s SER 112 N -0.01 2.09 0.31 2.29 0.01 0.21 -0.93 113.70 117.68 3imr s SER 112 Ca 0.06 -1.26 -0.00 0.00 1.31 0.00 0.00 55.95 56.06 3imr s SER 112 Cb -0.12 -0.04 0.51 0.00 0.21 0.00 0.00 66.02 66.58 3imr s SER 112 CO 0.01 -0.52 1.95 -0.65 0.41 0.00 0.00 173.24 174.44 3imr h PRO 113 N 2.34 0.93 -0.27 12.44 0.11 -1.99 -2.92 132.00 142.64 3imr h PRO 113 Ca -0.39 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3imr h PRO 113 Cb 1.23 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3imr h PRO 113 CO 0.66 0.66 0.00 0.66 -0.21 0.00 0.00 178.00 179.77 3imr n TYR 114 N -4.39 0.66 -3.56 0.65 4.02 -1.26 -1.05 117.16 112.23 3imr n TYR 114 Ca 0.07 -0.71 -0.16 0.00 -0.01 0.00 0.00 57.90 57.09 3imr n TYR 114 Cb 0.08 -0.18 -0.06 0.00 -0.02 0.00 0.00 39.34 39.16 3imr n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3imr s SER 115 N -1.56 -0.53 0.05 7.72 1.04 -1.10 -4.96 113.70 114.36 3imr s SER 115 Ca 0.32 0.44 -0.07 0.00 0.48 0.00 0.00 55.95 57.12 3imr s SER 115 Cb 0.23 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.84 3imr s SER 115 CO 0.11 -0.64 0.15 -0.72 0.98 0.00 0.00 173.24 173.12 3imr s TYR 116 N -1.70 0.16 0.01 5.02 1.13 -1.26 -0.62 117.35 120.10 3imr s TYR 116 Ca -0.09 -0.50 0.07 0.00 -1.41 0.00 0.00 57.07 55.14 3imr s TYR 116 Cb -0.01 -0.10 -0.02 0.00 -1.10 0.00 0.00 41.96 40.73 3imr s TYR 116 CO 0.05 -0.44 -0.21 -1.12 -2.51 0.00 0.00 175.55 171.32 3imr s SER 117 N -2.40 2.43 0.02 -0.18 0.01 -0.48 -4.98 113.70 108.12 3imr s SER 117 Ca -0.01 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.81 3imr s SER 117 Cb 0.01 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 3imr s SER 117 CO -0.07 0.21 -0.04 0.28 0.41 0.00 0.00 173.24 174.03 3imr s THR 118 N -0.63 0.23 0.10 1.44 -1.32 -1.26 -0.77 115.64 113.42 3imr s THR 118 Ca 0.08 -0.69 -0.01 0.00 -1.21 0.00 0.00 61.69 59.86 3imr s THR 118 Cb -0.08 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 3imr s THR 118 CO 0.00 -0.29 0.03 0.28 -2.21 0.00 0.00 174.62 172.43 3imr s THR 119 N -0.98 0.15 -0.11 5.08 -1.32 -0.65 -5.01 115.64 112.80 3imr s THR 119 Ca -0.09 -1.83 0.02 0.00 -1.21 0.00 0.00 61.69 58.58 3imr s THR 119 Cb -0.07 -1.79 -0.01 0.00 -1.51 0.00 0.00 72.50 69.11 3imr s THR 119 CO -0.00 -0.69 -0.17 0.00 -2.21 0.00 0.00 174.62 171.54 3imr s ALA 120 N -3.99 2.45 -0.25 11.08 0.00 -1.26 -1.28 121.76 128.51 3imr s ALA 120 Ca 0.16 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 3imr s ALA 120 Cb 0.07 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.18 3imr s ALA 120 CO -0.04 0.30 -0.03 0.08 0.00 0.00 0.00 175.76 176.08 3imr s VAL 121 N 0.22 3.20 -0.28 0.00 1.01 -0.06 -4.98 120.40 119.50 3imr s VAL 121 Ca -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3imr s VAL 121 Cb -0.16 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.68 3imr s VAL 121 CO 0.06 0.21 -0.05 -0.69 0.00 0.00 0.00 175.10 174.63 3imr s VAL 122 N 1.39 2.50 0.20 2.92 1.01 -1.26 -0.53 120.40 126.64 3imr s VAL 122 Ca 0.02 -1.59 0.04 0.00 0.00 0.00 0.00 61.98 60.45 3imr s VAL 122 Cb -0.16 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3imr s VAL 122 CO -0.03 -0.10 -0.05 0.42 0.00 0.00 0.00 175.10 175.34 3imr s THR 123 N 1.15 1.18 -2.05 3.92 -4.23 -0.61 -4.81 115.64 110.17 3imr s THR 123 Ca -0.06 -2.06 0.16 0.00 -1.18 0.00 0.00 61.69 58.55 3imr s THR 123 Cb -0.20 -2.15 0.13 0.00 1.34 0.00 0.00 72.50 71.62 3imr s THR 123 CO -0.04 -0.49 1.02 0.59 -0.54 0.00 0.00 174.62 175.16