#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lum n ASN 5 N 0.00 -4.88 0.00 6.41 5.03 -1.26 -5.02 115.26 115.53 1lum n ASN 5 Ca 0.00 0.43 0.00 0.00 0.87 0.00 0.00 54.58 55.88 1lum n ASN 5 Cb 0.00 -2.54 0.00 0.00 -1.02 0.00 0.00 39.78 36.22 1lum n ASN 5 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1lum n LEU 6 N -3.11 0.00 -2.39 3.41 4.77 -1.26 -4.90 117.00 113.53 1lum n LEU 6 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1lum n LEU 6 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1lum n LEU 6 CO 0.01 0.00 -0.28 -1.84 -1.33 0.00 0.00 177.39 173.95 1lum n GLU 7 N 0.00 -0.34 0.00 3.23 0.28 -1.26 -4.65 120.64 117.90 1lum n GLU 7 Ca 0.00 0.62 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 1lum n GLU 7 Cb 0.00 -0.67 0.00 0.00 1.43 0.00 0.00 31.44 32.20 1lum n GLU 7 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1lum n THR 8 N 1.29 0.00 -3.18 3.84 5.66 -1.26 -5.13 114.28 115.49 1lum n THR 8 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1lum n THR 8 Cb 0.28 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.01 1lum n THR 8 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1lum s TYR 9 N 0.00 3.48 0.55 1.09 2.02 -1.26 -4.91 117.35 118.31 1lum s TYR 9 Ca 0.00 0.98 0.46 0.00 -0.37 0.00 0.00 57.07 58.14 1lum s TYR 9 Cb 0.00 -2.70 1.68 0.00 -0.40 0.00 0.00 41.96 40.55 1lum s TYR 9 CO 0.00 0.02 1.62 1.05 -1.57 0.00 0.00 175.55 176.67 1lum h GLU 10 N 7.02 0.01 0.10 -0.62 4.11 -1.87 1.05 114.58 124.38 1lum h GLU 10 Ca -0.38 -0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.77 1lum h GLU 10 Cb 1.17 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1lum h GLU 10 CO 0.76 0.00 -1.43 0.11 0.07 0.00 0.00 179.01 178.52 1lum h TRP 11 N 0.01 0.37 -3.74 2.06 5.08 -1.65 1.46 115.95 119.54 1lum h TRP 11 Ca 0.87 -0.27 -0.51 0.00 1.08 0.00 0.00 58.89 60.05 1lum h TRP 11 Cb 3.41 -0.01 0.03 0.00 -3.00 0.00 0.00 29.16 29.59 1lum h TRP 11 CO -0.00 1.29 0.56 -0.47 -1.28 0.00 0.00 178.44 178.54 1lum s TYR 12 N -2.63 3.36 -0.31 0.12 5.04 0.36 0.45 117.35 123.74 1lum s TYR 12 Ca -0.07 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1lum s TYR 12 Cb 0.07 -3.46 0.14 0.00 0.35 0.00 0.00 41.96 39.06 1lum s TYR 12 CO 0.85 -1.19 0.29 -0.80 -1.34 0.00 0.00 175.55 173.36 1lum s ASN 13 N -0.48 1.85 0.74 4.32 0.01 0.90 -4.68 114.94 117.59 1lum s ASN 13 Ca 0.48 -1.12 -0.15 0.00 -0.71 0.00 0.00 52.86 51.36 1lum s ASN 13 Cb -0.35 0.36 0.04 0.00 0.41 0.00 0.00 41.25 41.72 1lum s ASN 13 CO 0.44 -0.36 1.23 -1.59 -1.51 0.00 0.00 177.10 175.31 1lum s LYS 14 N 2.01 2.02 0.00 -0.60 -2.85 -1.26 -2.38 119.74 116.68 1lum s LYS 14 Ca 0.12 1.85 0.00 0.00 -1.00 0.00 0.00 55.97 56.94 1lum s LYS 14 Cb -0.15 -1.81 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 1lum s LYS 14 CO -0.24 -1.95 0.00 -1.13 0.10 0.00 0.00 175.35 172.14 1lum n SER 15 N -2.75 0.00 -4.76 0.03 3.41 -1.26 -4.93 113.62 103.36 1lum n SER 15 Ca 0.14 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.43 1lum n SER 15 Cb 0.50 -2.18 0.08 0.00 -0.26 0.00 0.00 64.21 62.35 1lum n SER 15 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1lum s ILE 16 N -1.26 3.18 0.00 -1.33 1.01 -1.00 -5.03 121.20 116.77 1lum s ILE 16 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1lum s ILE 16 Cb 0.00 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1lum s ILE 16 CO 0.00 -0.45 0.00 -0.24 0.00 0.00 0.00 174.94 174.25 1lum n SER 17 N -3.20 1.43 -0.01 3.58 2.88 -1.26 -4.69 113.62 112.35 1lum n SER 17 Ca 0.10 -0.26 -0.17 0.00 -1.33 0.00 0.00 58.87 57.20 1lum n SER 17 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1lum n SER 17 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1lum h ARG 18 N 0.00 0.49 -0.14 -1.46 0.11 -2.00 -3.19 114.38 108.19 1lum h ARG 18 Ca 0.00 -0.45 -0.19 0.00 0.10 0.00 0.00 59.98 59.44 1lum h ARG 18 Cb 0.00 0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.20 1lum h ARG 18 CO 0.00 1.09 -0.64 -0.44 0.10 0.00 0.00 179.97 180.08 1lum h ASP 19 N 0.06 0.81 -0.11 0.08 5.19 -1.99 -2.78 116.42 117.68 1lum h ASP 19 Ca -0.06 -0.63 0.03 0.00 -0.62 0.00 0.00 57.03 55.76 1lum h ASP 19 Cb 1.25 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.49 1lum h ASP 19 CO 0.12 1.30 -0.07 0.11 -3.12 0.00 0.00 179.24 177.57 1lum h LYS 20 N 0.36 -0.07 -0.46 3.56 6.56 -1.97 0.38 116.57 124.93 1lum h LYS 20 Ca -0.04 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.45 1lum h LYS 20 Cb 1.27 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.93 1lum h LYS 20 CO 0.13 -0.05 -0.14 0.00 -2.06 0.00 0.00 179.45 177.33 1lum h ALA 21 N 1.02 0.88 0.30 3.86 0.00 -1.65 1.26 119.26 124.93 1lum h ALA 21 Ca 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1lum h ALA 21 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1lum h ALA 21 CO -0.16 0.64 -0.15 0.93 0.00 0.00 0.00 179.25 180.51 1lum h GLU 22 N 0.77 -0.39 0.19 0.00 5.08 -1.15 2.51 114.58 121.59 1lum h GLU 22 Ca 0.12 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1lum h GLU 22 Cb 0.66 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1lum h GLU 22 CO 0.05 -0.24 -0.09 1.57 -1.00 0.00 0.00 179.01 179.30 1lum h LYS 23 N -0.44 -0.25 -0.49 2.33 5.09 -0.10 1.01 116.57 123.72 1lum h LYS 23 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1lum h LYS 23 Cb 0.34 0.06 -0.02 0.00 0.10 0.00 0.00 32.23 32.70 1lum h LYS 23 CO 0.07 -0.11 0.32 1.37 -2.09 0.00 0.00 179.45 179.00 1lum h LEU 24 N -0.33 0.57 0.18 7.07 -0.00 0.17 -2.09 115.31 120.88 1lum h LEU 24 Ca -0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 1lum h LEU 24 Cb 0.25 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1lum h LEU 24 CO 0.04 0.42 -0.08 -0.07 -0.00 0.00 0.00 178.44 178.75 1lum h LEU 25 N 0.67 -0.20 -1.75 0.17 3.38 0.50 -2.65 115.31 115.43 1lum h LEU 25 Ca 0.18 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1lum h LEU 25 Cb -0.06 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1lum h LEU 25 CO -0.04 0.20 0.43 -0.07 0.09 0.00 0.00 178.44 179.05 1lum h LEU 26 N -0.64 0.00 -0.59 1.67 4.07 0.15 -0.87 115.31 119.11 1lum h LEU 26 Ca -0.02 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.05 1lum h LEU 26 Cb 0.47 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.12 1lum h LEU 26 CO 0.04 0.00 0.07 -0.78 -1.08 0.00 0.00 178.44 176.69 1lum h ASP 27 N 0.00 -0.11 0.00 -0.43 1.82 -1.01 -3.24 116.42 113.45 1lum h ASP 27 Ca 0.02 0.13 -0.15 0.00 -0.39 0.00 0.00 57.03 56.63 1lum h ASP 27 Cb 0.87 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.06 1lum h ASP 27 CO -0.00 -0.04 -1.12 1.07 -1.61 0.00 0.00 179.24 177.53 1lum n THR 28 N -5.19 1.49 -0.25 2.25 5.66 -0.37 -5.00 114.28 112.87 1lum n THR 28 Ca 0.08 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1lum n THR 28 Cb 0.33 -2.18 0.00 0.00 -1.55 0.00 0.00 70.33 66.93 1lum n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1lum n GLY 29 N 1.48 0.85 3.45 1.09 0.00 -0.99 -4.91 105.19 106.16 1lum n GLY 29 Ca -0.24 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1lum n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lum n LYS 30 N -2.25 0.55 -2.80 1.61 4.76 -1.26 -1.41 118.16 117.37 1lum n LYS 30 Ca 0.00 0.20 -0.43 0.00 -2.87 0.00 0.00 58.31 55.21 1lum n LYS 30 Cb 0.00 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 1lum n LYS 30 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1lum s GLU 31 N -1.56 3.41 -0.29 1.97 2.12 -1.26 0.15 118.70 123.23 1lum s GLU 31 Ca 0.63 -0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.86 1lum s GLU 31 Cb -0.60 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 29.77 1lum s GLU 31 CO 0.58 -1.45 0.18 0.41 -0.54 0.00 0.00 175.26 174.44 1lum n GLY 32 N 5.06 0.55 3.77 -1.50 0.00 -0.31 -4.50 105.19 108.27 1lum n GLY 32 Ca 0.04 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1lum n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lum s ALA 33 N -2.85 3.31 -0.03 4.61 0.00 2.02 -0.03 121.76 128.79 1lum s ALA 33 Ca 0.09 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.48 1lum s ALA 33 Cb -0.04 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1lum s ALA 33 CO 0.11 -0.99 -0.22 0.12 0.00 0.00 0.00 175.76 174.78 1lum s PHE 34 N -1.21 2.05 0.13 0.00 5.36 0.52 0.42 117.98 125.25 1lum s PHE 34 Ca 0.57 -0.47 -0.05 0.00 -0.96 0.00 0.00 56.93 56.03 1lum s PHE 34 Cb -0.42 -1.33 -0.02 0.00 -0.34 0.00 0.00 43.02 40.91 1lum s PHE 34 CO 0.54 -0.09 0.14 1.41 -1.46 0.00 0.00 175.22 175.76 1lum s MET 35 N -0.36 0.97 0.02 10.12 -2.45 2.23 0.69 119.30 130.51 1lum s MET 35 Ca 0.04 -1.27 -0.01 0.00 -1.25 0.00 0.00 55.69 53.20 1lum s MET 35 Cb -0.10 0.30 -0.02 0.00 1.25 0.00 0.00 34.83 36.26 1lum s MET 35 CO 0.01 -0.30 -0.02 0.08 1.05 0.00 0.00 175.02 175.83 1lum s VAL 36 N -3.99 0.11 -0.14 10.11 1.01 1.60 0.54 120.40 129.65 1lum s VAL 36 Ca 0.18 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1lum s VAL 36 Cb 0.06 -0.30 0.05 0.00 0.00 0.00 0.00 36.38 36.19 1lum s VAL 36 CO -0.01 -0.50 0.33 0.00 0.00 0.00 0.00 175.10 174.91 1lum s ARG 37 N -1.51 0.30 0.60 2.72 1.70 0.95 0.31 118.95 124.02 1lum s ARG 37 Ca -0.15 0.65 -0.20 0.00 -0.47 0.00 0.00 55.73 55.56 1lum s ARG 37 Cb -0.09 -0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.19 1lum s ARG 37 CO -0.01 -0.16 1.32 0.34 -1.08 0.00 0.00 175.30 175.71 1lum s ASP 38 N 1.30 4.93 0.38 -2.89 -1.08 -1.26 0.45 116.67 118.50 1lum s ASP 38 Ca -0.09 2.69 0.04 0.00 -0.52 0.00 0.00 52.55 54.67 1lum s ASP 38 Cb -0.09 -2.63 -0.02 0.00 -1.46 0.00 0.00 42.92 38.73 1lum s ASP 38 CO -0.10 -1.79 0.16 -1.20 0.52 0.00 0.00 175.17 172.75 1lum n SER 39 N -1.49 0.97 -3.69 -0.34 7.64 -1.25 -4.70 113.62 110.76 1lum n SER 39 Ca 0.13 -3.07 -0.35 0.00 1.01 0.00 0.00 58.87 56.58 1lum n SER 39 Cb 0.47 1.07 -0.03 0.00 -1.01 0.00 0.00 64.21 64.70 1lum n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1lum n ARG 40 N -0.84 3.68 -0.34 1.43 5.12 -1.26 -4.81 116.66 119.64 1lum n ARG 40 Ca -0.04 -4.63 0.00 0.00 -1.93 0.00 0.00 57.85 51.25 1lum n ARG 40 Cb 0.58 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 1lum n ARG 40 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1lum n THR 41 N 0.96 0.00 0.00 0.55 5.66 -1.26 -4.96 114.28 115.23 1lum n THR 41 Ca 0.29 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 1lum n THR 41 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 1lum n THR 41 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1lum n PRO 42 N 0.00 0.00 0.00 1.09 -0.02 -1.26 -4.35 135.00 130.46 1lum n PRO 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1lum n PRO 42 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1lum n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lum n GLY 43 N -0.85 1.53 0.00 -1.23 0.00 -1.26 -5.04 105.19 98.34 1lum n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lum n GLY 43 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1lum n THR 44 N -0.73 0.00 -4.11 2.61 5.66 -1.26 -5.01 114.28 111.44 1lum n THR 44 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1lum n THR 44 Cb 0.00 -1.83 -0.10 0.00 -1.55 0.00 0.00 70.33 66.85 1lum n THR 44 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1lum s TYR 45 N -0.17 0.61 0.21 1.09 1.51 -1.26 -3.82 117.35 115.52 1lum s TYR 45 Ca 0.00 -0.98 -0.03 0.00 -1.01 0.00 0.00 57.07 55.04 1lum s TYR 45 Cb 0.00 -0.41 -0.05 0.00 -0.11 0.00 0.00 41.96 41.39 1lum s TYR 45 CO 0.00 -0.30 0.44 0.99 -1.11 0.00 0.00 175.55 175.57 1lum s THR 46 N -3.64 5.13 -0.19 -0.71 2.01 1.57 0.18 115.64 119.99 1lum s THR 46 Ca 0.07 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1lum s THR 46 Cb 0.06 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.92 1lum s THR 46 CO -0.08 -0.15 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.94 1lum s VAL 47 N -1.87 1.38 -0.42 3.82 1.01 2.39 0.32 120.40 127.04 1lum s VAL 47 Ca 0.41 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 1lum s VAL 47 Cb -0.11 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1lum s VAL 47 CO 0.28 0.08 0.73 -0.44 0.00 0.00 0.00 175.10 175.75 1lum s SER 48 N 1.50 6.42 -0.32 3.32 0.01 2.15 0.48 113.70 127.26 1lum s SER 48 Ca -0.02 -0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.14 1lum s SER 48 Cb -0.16 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.72 1lum s SER 48 CO -0.08 -0.80 0.11 0.68 0.41 0.00 0.00 173.24 173.56 1lum s VAL 49 N 3.06 4.02 -0.16 3.43 -7.23 0.57 0.56 120.40 124.64 1lum s VAL 49 Ca 0.28 -0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 59.54 1lum s VAL 49 Cb -0.13 -3.15 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1lum s VAL 49 CO 0.20 -0.03 0.12 0.12 -0.31 0.00 0.00 175.10 175.19 1lum s PHE 50 N 1.48 3.45 -0.35 2.82 2.19 1.40 0.22 117.98 129.20 1lum s PHE 50 Ca 0.01 0.36 -0.15 0.00 0.33 0.00 0.00 56.93 57.49 1lum s PHE 50 Cb -0.18 -2.05 -0.01 0.00 -1.31 0.00 0.00 43.02 39.47 1lum s PHE 50 CO 0.03 0.45 0.33 0.99 1.83 0.00 0.00 175.22 178.85 1lum s THR 51 N -0.22 5.20 0.00 0.12 2.01 0.11 0.52 115.64 123.38 1lum s THR 51 Ca 0.10 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1lum s THR 51 Cb -0.12 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1lum s THR 51 CO 0.01 -0.09 0.00 2.29 -0.69 0.00 0.00 174.62 176.13 1lum n LYS 52 N 5.31 0.00 -3.86 4.92 -0.00 0.40 -3.67 118.16 121.25 1lum n LYS 52 Ca -0.10 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.01 1lum n LYS 52 Cb 0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.35 1lum n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1lum s ALA 53 N 0.00 0.46 -0.06 0.58 0.00 -0.50 -4.32 121.76 117.91 1lum s ALA 53 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1lum s ALA 53 Cb 0.00 -0.51 0.08 0.00 0.00 0.00 0.00 23.12 22.69 1lum s ALA 53 CO 0.00 -0.25 0.69 0.44 0.00 0.00 0.00 175.76 176.64 1lum n ILE 54 N 4.63 0.00 0.00 0.00 -0.00 -1.26 -3.90 119.36 118.83 1lum n ILE 54 Ca -0.16 -0.19 0.00 0.00 -0.00 0.00 0.00 62.75 62.40 1lum n ILE 54 Cb 0.50 0.59 0.00 0.00 -0.00 0.00 0.00 39.64 40.73 1lum n ILE 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1lum n ILE 55 N -0.29 0.00 -0.06 7.28 0.13 -1.26 -5.05 119.36 120.11 1lum n ILE 55 Ca -0.03 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.52 1lum n ILE 55 Cb 0.57 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.31 1lum n ILE 55 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1lum n SER 56 N 0.00 2.79 -0.76 9.51 2.88 -1.26 -5.08 113.62 121.70 1lum n SER 56 Ca 0.00 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1lum n SER 56 Cb 0.00 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1lum n SER 56 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1lum n GLU 57 N -2.95 0.00 0.00 -1.46 -0.58 -1.26 -4.94 120.64 109.45 1lum n GLU 57 Ca -0.23 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1lum n GLU 57 Cb 0.74 -0.76 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 1lum n GLU 57 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1lum n ASN 58 N -0.53 0.00 -4.25 1.62 3.02 -1.26 -5.13 115.26 108.72 1lum n ASN 58 Ca 0.00 0.00 -0.58 0.00 -0.03 0.00 0.00 54.58 53.97 1lum n ASN 58 Cb 0.25 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.34 1lum n ASN 58 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1lum n PRO 59 N 0.00 0.00 -4.15 3.52 -0.02 -1.26 -4.96 135.00 128.13 1lum n PRO 59 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 1lum n PRO 59 Cb 0.00 -1.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.98 1lum n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lum s ILE 61 N -2.02 3.50 -0.13 0.00 1.09 -1.26 0.07 121.20 122.45 1lum s ILE 61 Ca 0.01 -0.45 -0.02 0.00 -1.10 0.00 0.00 60.65 59.08 1lum s ILE 61 Cb -0.06 -2.59 -0.03 0.00 -1.06 0.00 0.00 42.46 38.72 1lum s ILE 61 CO 0.00 0.42 -0.05 -0.54 -0.10 0.00 0.00 174.94 174.67 1lum s LYS 62 N 1.40 3.39 -0.53 2.79 1.02 0.61 -4.86 119.74 123.56 1lum s LYS 62 Ca 0.05 -0.53 -0.19 0.00 0.02 0.00 0.00 55.97 55.32 1lum s LYS 62 Cb -0.14 -2.81 0.07 0.00 -0.52 0.00 0.00 37.83 34.42 1lum s LYS 62 CO -0.02 0.37 0.66 -1.01 -0.92 0.00 0.00 175.35 174.44 1lum s HIS 63 N -0.01 3.02 -0.29 3.18 3.76 -1.25 0.21 115.29 123.92 1lum s HIS 63 Ca 0.00 -0.59 -0.14 0.00 -0.15 0.00 0.00 55.06 54.19 1lum s HIS 63 Cb -0.13 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.85 1lum s HIS 63 CO 0.03 -1.11 0.30 0.71 -0.85 0.00 0.00 174.74 173.82 1lum s TYR 64 N 2.74 3.23 0.14 1.40 2.02 1.77 -4.75 117.35 123.89 1lum s TYR 64 Ca 0.15 0.23 -0.15 0.00 -0.37 0.00 0.00 57.07 56.93 1lum s TYR 64 Cb -0.20 -2.52 -0.07 0.00 -0.40 0.00 0.00 41.96 38.78 1lum s TYR 64 CO 0.11 -0.24 0.55 -1.58 -1.57 0.00 0.00 175.55 172.82 1lum s HIS 65 N 1.95 3.63 -0.56 2.71 2.46 -1.26 0.58 115.29 124.80 1lum s HIS 65 Ca 0.11 1.09 -0.24 0.00 0.47 0.00 0.00 55.06 56.49 1lum s HIS 65 Cb -0.16 -2.39 0.04 0.00 -0.13 0.00 0.00 32.58 29.95 1lum s HIS 65 CO 0.11 0.45 0.95 0.42 -2.47 0.00 0.00 174.74 174.19 1lum s ILE 66 N -1.42 4.38 0.51 0.89 -1.09 0.49 -4.24 121.20 120.72 1lum s ILE 66 Ca 0.37 0.26 -0.20 0.00 -2.23 0.00 0.00 60.65 58.85 1lum s ILE 66 Cb -0.16 -4.55 -0.07 0.00 -1.58 0.00 0.00 42.46 36.10 1lum s ILE 66 CO 0.19 -1.14 1.07 -0.75 -1.23 0.00 0.00 174.94 173.08 1lum s LYS 67 N 3.98 3.64 -0.08 2.79 2.47 2.48 -4.01 119.74 131.01 1lum s LYS 67 Ca 0.30 1.43 0.03 0.00 -1.56 0.00 0.00 55.97 56.17 1lum s LYS 67 Cb -0.13 -2.06 -0.02 0.00 -1.46 0.00 0.00 37.83 34.16 1lum s LYS 67 CO 0.19 -0.58 -0.15 -1.21 0.16 0.00 0.00 175.35 173.76 1lum s GLU 68 N -3.28 2.81 0.00 4.03 8.01 -1.18 0.34 118.70 129.42 1lum s GLU 68 Ca 0.69 -0.72 0.00 0.00 0.01 0.00 0.00 54.97 54.95 1lum s GLU 68 Cb -0.19 -2.44 0.00 0.00 -4.31 0.00 0.00 34.13 27.19 1lum s GLU 68 CO 0.23 0.46 0.00 0.25 0.01 0.00 0.00 175.26 176.21 1lum n THR 69 N 2.79 0.00 -1.58 3.63 -2.24 2.79 -4.87 114.28 114.79 1lum n THR 69 Ca -0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.64 1lum n THR 69 Cb 0.52 -0.08 0.21 0.00 -2.10 0.00 0.00 70.33 68.88 1lum n THR 69 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1lum n ASN 70 N 0.00 1.90 -2.56 3.42 3.02 -1.26 -4.74 115.26 115.03 1lum n ASN 70 Ca 0.00 -3.89 -0.07 0.00 -0.03 0.00 0.00 54.58 50.59 1lum n ASN 70 Cb 0.00 -0.55 0.04 0.00 -0.61 0.00 0.00 39.78 38.66 1lum n ASN 70 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1lum n ASP 71 N -1.12 0.17 -3.20 6.41 -0.08 -1.17 -5.01 116.55 112.56 1lum n ASP 71 Ca 0.22 -1.20 -0.14 0.00 -1.51 0.00 0.00 54.79 52.16 1lum n ASP 71 Cb 0.76 -0.22 -0.05 0.00 2.34 0.00 0.00 41.12 43.95 1lum n ASP 71 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1lum s SER 72 N -2.16 0.29 0.00 1.67 1.04 -1.26 -4.56 113.70 108.72 1lum s SER 72 Ca 0.18 -1.93 0.00 0.00 0.48 0.00 0.00 55.95 54.68 1lum s SER 72 Cb -0.01 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1lum s SER 72 CO 0.13 -0.17 0.13 -2.65 0.98 0.00 0.00 173.24 171.65 1lum n PRO 73 N 3.56 0.00 -3.08 4.02 -0.02 -1.26 -5.05 135.00 133.16 1lum n PRO 73 Ca 0.18 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1lum n PRO 73 Cb 0.50 -1.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.90 1lum n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1lum n LYS 74 N -1.94 -0.97 -0.13 -0.52 4.01 -1.23 -4.73 118.16 112.64 1lum n LYS 74 Ca 0.00 0.03 -0.28 0.00 -0.51 0.00 0.00 58.31 57.55 1lum n LYS 74 Cb 0.00 -1.24 -0.09 0.00 -0.51 0.00 0.00 35.03 33.19 1lum n LYS 74 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1lum n ARG 75 N -2.19 0.58 -3.43 1.97 1.74 0.47 -3.02 116.66 112.78 1lum n ARG 75 Ca -0.10 0.26 -0.33 0.00 -0.77 0.00 0.00 57.85 56.91 1lum n ARG 75 Cb 0.23 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 1lum n ARG 75 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1lum s TYR 76 N -2.55 3.48 0.17 -1.55 2.02 0.56 0.63 117.35 120.12 1lum s TYR 76 Ca -0.38 0.89 -0.24 0.00 -0.37 0.00 0.00 57.07 56.98 1lum s TYR 76 Cb 0.14 -2.26 0.07 0.00 -0.40 0.00 0.00 41.96 39.51 1lum s TYR 76 CO 0.49 0.34 1.01 1.52 -1.57 0.00 0.00 175.55 177.33 1lum s TYR 77 N -1.69 -0.03 -0.40 2.71 1.13 1.04 0.54 117.35 120.65 1lum s TYR 77 Ca 0.44 -0.32 0.10 0.00 -1.41 0.00 0.00 57.07 55.87 1lum s TYR 77 Cb -0.12 0.67 0.31 0.00 -1.10 0.00 0.00 41.96 41.71 1lum s TYR 77 CO 0.21 -0.86 0.74 1.33 -2.51 0.00 0.00 175.55 174.45 1lum n VAL 78 N -0.58 -0.28 0.00 -3.49 0.24 -1.25 0.59 118.33 113.56 1lum n VAL 78 Ca -0.05 -3.75 0.00 0.00 -2.04 0.00 0.00 64.34 58.50 1lum n VAL 78 Cb 0.60 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 1lum n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lum n ALA 79 N 0.72 0.00 -2.31 2.33 0.00 -1.26 -4.81 120.51 115.18 1lum n ALA 79 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1lum n ALA 79 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 1lum n ALA 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lum n GLU 80 N 0.00 -1.18 0.00 0.00 1.02 -1.26 -4.55 120.64 114.67 1lum n GLU 80 Ca 0.00 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1lum n GLU 80 Cb 0.00 -1.93 -0.01 0.00 -0.02 0.00 0.00 31.44 29.48 1lum n GLU 80 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1lum n LYS 81 N -1.68 0.11 -3.92 3.49 2.85 -1.26 -5.05 118.16 112.70 1lum n LYS 81 Ca 0.03 0.04 -0.23 0.00 -1.05 0.00 0.00 58.31 57.11 1lum n LYS 81 Cb 0.19 -0.58 -0.17 0.00 -0.65 0.00 0.00 35.03 33.82 1lum n LYS 81 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1lum s TYR 82 N -1.84 0.85 -0.09 5.58 1.51 -1.26 -5.07 117.35 117.04 1lum s TYR 82 Ca -0.06 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1lum s TYR 82 Cb 0.01 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 1lum s TYR 82 CO 0.09 -0.32 -0.02 0.14 -1.11 0.00 0.00 175.55 174.33 1lum s VAL 83 N 1.61 4.11 0.00 0.71 -7.23 -1.19 -3.77 120.40 114.64 1lum s VAL 83 Ca 0.00 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 1lum s VAL 83 Cb -0.13 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1lum s VAL 83 CO -0.04 0.59 0.00 0.49 -0.31 0.00 0.00 175.10 175.83 1lum n PHE 84 N 2.28 0.00 1.08 2.82 3.01 2.11 -3.67 117.46 125.09 1lum n PHE 84 Ca -0.18 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.39 1lum n PHE 84 Cb 0.53 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 40.13 1lum n PHE 84 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1lum n ASP 85 N -1.82 1.41 -3.60 4.37 2.03 -1.26 0.21 116.55 117.89 1lum n ASP 85 Ca 0.00 -1.12 -0.05 0.00 0.52 0.00 0.00 54.79 54.15 1lum n ASP 85 Cb 0.00 0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 40.79 1lum n ASP 85 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1lum s SER 86 N -2.61 -0.14 0.21 1.67 0.01 -1.26 -4.87 113.70 106.71 1lum s SER 86 Ca 0.18 0.02 -0.09 0.00 1.31 0.00 0.00 55.95 57.37 1lum s SER 86 Cb 0.18 0.14 0.28 0.00 0.21 0.00 0.00 66.02 66.84 1lum s SER 86 CO 0.61 -0.23 1.74 0.40 0.41 0.00 0.00 173.24 176.18 1lum h ILE 87 N 2.03 0.77 -0.48 1.44 5.03 -1.94 0.78 117.51 125.14 1lum h ILE 87 Ca -0.09 -0.14 0.09 0.00 -0.12 0.00 0.00 64.86 64.60 1lum h ILE 87 Cb 1.17 0.32 -0.08 0.00 -3.03 0.00 0.00 36.82 35.20 1lum h ILE 87 CO 0.23 0.07 0.01 1.55 -0.68 0.00 0.00 178.15 179.34 1lum h PRO 88 N 0.41 0.12 -0.06 2.37 0.13 -1.96 7.98 132.00 140.99 1lum h PRO 88 Ca 0.31 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.41 1lum h PRO 88 Cb 0.38 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1lum h PRO 88 CO -0.31 0.08 -0.03 -0.07 -0.23 0.00 0.00 178.00 177.44 1lum h LEU 89 N 0.13 0.13 -1.19 1.56 4.07 -1.78 5.28 115.31 123.51 1lum h LEU 89 Ca 0.24 -0.43 0.15 0.00 0.08 0.00 0.00 57.88 57.92 1lum h LEU 89 Cb 0.36 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 41.98 1lum h LEU 89 CO -0.39 0.53 0.60 0.25 -1.08 0.00 0.00 178.44 178.35 1lum h LEU 90 N -0.28 0.73 0.12 1.67 6.46 0.20 1.46 115.31 125.66 1lum h LEU 90 Ca 0.01 0.05 -0.18 0.00 -0.12 0.00 0.00 57.88 57.64 1lum h LEU 90 Cb 0.49 -0.09 0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1lum h LEU 90 CO 0.01 0.35 -0.78 0.40 -0.62 0.00 0.00 178.44 177.80 1lum h ILE 91 N 0.76 1.50 -0.54 4.05 1.08 1.74 -2.93 117.51 123.16 1lum h ILE 91 Ca 0.48 -2.45 0.07 0.00 -0.39 0.00 0.00 64.86 62.56 1lum h ILE 91 Cb 0.73 3.10 -0.03 0.00 -3.07 0.00 0.00 36.82 37.54 1lum h ILE 91 CO -0.25 0.70 0.36 1.56 -0.69 0.00 0.00 178.15 179.83 1lum h GLN 92 N -0.32 0.47 -0.34 2.37 1.08 1.23 3.12 115.11 122.72 1lum h GLN 92 Ca -0.13 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 56.93 1lum h GLN 92 Cb 1.58 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.90 1lum h GLN 92 CO 0.15 0.31 -0.24 0.10 -0.95 0.00 0.00 178.83 178.20 1lum h TYR 93 N 0.48 0.88 -0.06 2.96 -0.00 0.19 -2.23 116.97 119.20 1lum h TYR 93 Ca 0.24 -0.24 -0.14 0.00 0.00 0.00 0.00 58.73 58.58 1lum h TYR 93 Cb 0.33 -0.20 0.01 0.00 0.00 0.00 0.00 36.73 36.87 1lum h TYR 93 CO -0.00 0.99 -0.52 0.45 -0.00 0.00 0.00 178.16 179.08 1lum h HIS 94 N 0.53 0.63 -1.06 0.10 3.86 -0.84 -2.84 115.15 115.54 1lum h HIS 94 Ca 0.07 -0.31 0.28 0.00 -1.16 0.00 0.00 60.37 59.25 1lum h HIS 94 Cb 0.80 -0.09 -0.10 0.00 1.06 0.00 0.00 27.41 29.08 1lum h HIS 94 CO 0.06 1.09 0.68 1.96 0.86 0.00 0.00 177.93 182.59 1lum h GLN 95 N -0.00 0.37 0.00 2.45 1.08 0.57 -3.35 115.11 116.22 1lum h GLN 95 Ca -0.05 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1lum h GLN 95 Cb 1.19 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1lum h GLN 95 CO 0.11 0.24 0.00 0.66 -0.95 0.00 0.00 178.83 178.89 1lum n TYR 96 N -4.64 0.00 0.00 2.96 4.02 -0.85 -4.87 117.16 113.78 1lum n TYR 96 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1lum n TYR 96 Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 1lum n TYR 96 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1lum n ASN 97 N 0.00 0.00 0.00 7.72 3.02 -1.08 -4.76 115.26 120.17 1lum n ASN 97 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1lum n ASN 97 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1lum n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lum n GLY 98 N 0.00 -1.79 3.58 7.41 0.00 -1.25 -5.01 105.19 108.13 1lum n GLY 98 Ca 0.00 0.86 -0.42 0.00 0.00 0.00 0.00 46.02 46.46 1lum n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lum s GLY 99 N 0.00 0.91 0.00 -0.02 0.00 -1.26 -4.87 107.32 102.08 1lum s GLY 99 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1lum s GLY 99 CO 0.00 2.83 0.00 0.61 0.00 0.00 0.00 173.10 176.54 1lum n GLY 100 N 5.24 0.00 1.48 0.20 0.00 -1.26 -3.43 105.19 107.41 1lum n GLY 100 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1lum n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lum n LEU 101 N 0.00 -1.42 -0.13 0.99 4.32 -1.26 0.32 117.00 119.82 1lum n LEU 101 Ca 0.00 2.21 0.11 0.00 -0.02 0.00 0.00 56.01 58.31 1lum n LEU 101 Cb 0.00 -2.78 0.18 0.00 -1.62 0.00 0.00 43.42 39.20 1lum n LEU 101 CO 0.00 -0.18 0.33 1.33 -1.22 0.00 0.00 177.39 177.66 1lum n VAL 102 N -1.77 -0.07 -2.60 4.08 0.24 -1.26 -1.66 118.33 115.29 1lum n VAL 102 Ca 0.00 0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 62.79 1lum n VAL 102 Cb 0.19 -0.82 0.07 0.00 -1.47 0.00 0.00 33.84 31.82 1lum n VAL 102 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1lum n THR 103 N -3.21 0.00 -3.73 3.34 5.66 -1.25 -5.00 114.28 110.10 1lum n THR 103 Ca 0.11 -0.59 -0.27 0.00 -3.05 0.00 0.00 64.05 60.25 1lum n THR 103 Cb 0.43 0.79 0.01 0.00 -1.55 0.00 0.00 70.33 70.00 1lum n THR 103 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1lum n ARG 104 N -0.89 -0.89 -3.15 1.09 -4.01 0.15 -2.53 116.66 106.43 1lum n ARG 104 Ca -0.10 0.33 -0.18 0.00 -1.04 0.00 0.00 57.85 56.86 1lum n ARG 104 Cb 0.72 -1.75 0.02 0.00 -3.04 0.00 0.00 32.46 28.40 1lum n ARG 104 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1lum n LEU 105 N -3.02 -5.72 0.00 2.89 7.99 -1.26 -3.09 117.00 114.80 1lum n LEU 105 Ca -0.19 0.14 -0.15 0.00 -0.01 0.00 0.00 56.01 55.79 1lum n LEU 105 Cb 0.51 -2.72 -0.04 0.00 -0.11 0.00 0.00 43.42 41.06 1lum n LEU 105 CO 0.54 -1.30 0.28 -0.09 -1.51 0.00 0.00 177.39 175.31 1lum h ARG 106 N 1.67 0.68 -0.65 3.23 1.12 -0.46 -3.35 114.38 116.62 1lum h ARG 106 Ca -0.22 -0.57 0.10 0.00 -1.11 0.00 0.00 59.98 58.19 1lum h ARG 106 Cb 1.16 0.12 -0.20 0.00 -0.01 0.00 0.00 29.97 31.04 1lum h ARG 106 CO 0.23 1.18 -0.22 -0.47 -3.11 0.00 0.00 179.97 177.58 1lum s TYR 107 N -3.68 -1.19 -0.30 2.20 5.04 0.96 -4.87 117.35 115.51 1lum s TYR 107 Ca -0.09 0.61 -0.37 0.00 -2.44 0.00 0.00 57.07 54.78 1lum s TYR 107 Cb 0.09 0.21 -0.13 0.00 0.35 0.00 0.00 41.96 42.48 1lum s TYR 107 CO 0.89 -0.71 2.01 -0.35 -1.34 0.00 0.00 175.55 176.05 1lum n PRO 108 N 5.06 1.20 -3.22 4.97 -0.04 -1.22 0.20 135.00 141.95 1lum n PRO 108 Ca 0.07 0.39 -0.39 0.00 -0.04 0.00 0.00 63.50 63.53 1lum n PRO 108 Cb 0.56 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 1lum n PRO 108 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1lum s VAL 109 N 5.68 4.82 -0.51 0.52 -7.23 3.25 -3.86 120.40 123.07 1lum s VAL 109 Ca 1.04 1.25 0.03 0.00 -1.81 0.00 0.00 61.98 62.50 1lum s VAL 109 Cb -0.93 -3.93 0.14 0.00 0.56 0.00 0.00 36.38 32.23 1lum s VAL 109 CO 0.55 0.48 0.31 0.00 -0.31 0.00 0.00 175.10 176.12