#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 -2.21 0.00 6.41 5.03 -1.26 -5.04 115.26 118.19 1lum n ASN 5 Ca 0.00 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.50 1lum n ASN 5 Cb 0.00 -1.12 0.00 0.00 -1.02 0.00 0.00 39.78 37.64 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 0.05 1.86 -1.25 3.41 4.77 -1.26 -4.94 117.00 119.65 1lum n LEU 6 Ca 0.00 0.21 -0.04 0.00 -0.03 0.00 0.00 56.01 56.16 1lum n LEU 6 Cb 0.00 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1lum n LEU 6 CO 0.00 -0.08 -0.08 -1.84 -1.33 0.00 0.00 177.39 174.06 1lum n GLU 7 N -0.75 -0.20 0.00 3.23 0.28 -1.26 -4.41 120.64 117.53 1lum n GLU 7 Ca 0.00 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1lum n GLU 7 Cb 0.00 -0.29 0.00 0.00 1.43 0.00 0.00 31.44 32.58 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 0.35 0.00 -2.78 3.84 5.66 -1.26 -5.13 114.28 114.96 1lum n THR 8 Ca -0.01 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 1lum n THR 8 Cb 0.12 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.87 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 3.49 0.50 1.09 2.02 -1.26 -4.86 117.35 118.33 1lum s TYR 9 Ca 0.00 1.46 0.03 0.00 -0.37 0.00 0.00 57.07 58.19 1lum s TYR 9 Cb 0.00 -3.10 0.15 0.00 -0.40 0.00 0.00 41.96 38.60 1lum s TYR 9 CO 0.00 -0.20 0.98 1.05 -1.57 0.00 0.00 175.55 175.81 1lum h GLU 10 N 7.14 0.00 0.00 -0.62 4.11 -1.89 1.35 114.58 124.68 1lum h GLU 10 Ca -0.31 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.76 1lum h GLU 10 Cb 1.15 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 1lum h GLU 10 CO 0.84 0.00 -2.33 -2.67 0.07 0.00 0.00 179.01 174.92 1lum n TRP 11 N -2.21 0.00 -2.36 2.06 4.27 -1.23 0.58 117.44 118.56 1lum n TRP 11 Ca -0.00 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 1lum n TRP 11 Cb 0.83 -0.94 -0.03 0.00 -1.36 0.00 0.00 31.31 29.80 1lum n TRP 11 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1lum s TYR 12 N -2.47 3.37 -0.12 -2.67 5.04 0.46 0.47 117.35 121.43 1lum s TYR 12 Ca -0.18 1.61 -0.04 0.00 -2.44 0.00 0.00 57.07 56.02 1lum s TYR 12 Cb 0.07 -3.40 0.05 0.00 0.35 0.00 0.00 41.96 39.03 1lum s TYR 12 CO 0.70 -0.99 0.11 -0.80 -1.34 0.00 0.00 175.55 173.24 1lum s ASN 13 N -0.83 1.58 0.90 4.32 0.01 1.56 -4.57 114.94 117.90 1lum s ASN 13 Ca 0.48 -0.19 -0.11 0.00 -0.71 0.00 0.00 52.86 52.33 1lum s ASN 13 Cb -0.33 -0.03 0.14 0.00 0.41 0.00 0.00 41.25 41.43 1lum s ASN 13 CO 0.43 -0.30 1.16 -1.59 -1.51 0.00 0.00 177.10 175.29 1lum s LYS 14 N 2.20 1.12 0.00 -0.60 0.00 -1.26 -3.03 119.74 118.17 1lum s LYS 14 Ca 0.04 1.58 0.00 0.00 0.00 0.00 0.00 55.97 57.59 1lum s LYS 14 Cb -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 37.83 35.95 1lum s LYS 14 CO -0.07 -2.57 0.00 0.45 0.00 0.00 0.00 175.35 173.16 1lum n SER 15 N -4.09 -0.15 -4.80 0.03 2.88 -1.26 -4.80 113.62 101.44 1lum n SER 15 Ca 0.12 0.07 -0.32 0.00 -1.33 0.00 0.00 58.87 57.42 1lum n SER 15 Cb 0.52 -0.35 0.05 0.00 -0.75 0.00 0.00 64.21 63.68 1lum n SER 15 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1lum s ILE 16 N -0.70 3.69 0.00 2.46 1.01 -1.17 -4.98 121.20 121.51 1lum s ILE 16 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1lum s ILE 16 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1lum s ILE 16 CO 0.00 -0.62 0.00 -1.20 0.00 0.00 0.00 174.94 173.12 1lum n SER 17 N -2.84 1.46 0.04 3.58 7.64 -1.26 -4.51 113.62 117.73 1lum n SER 17 Ca 0.09 -0.44 -0.13 0.00 1.01 0.00 0.00 58.87 59.39 1lum n SER 17 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1lum n SER 17 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1lum h ARG 18 N 0.00 0.51 -0.06 1.43 0.11 -2.00 -3.15 114.38 111.22 1lum h ARG 18 Ca 0.00 -0.47 -0.09 0.00 0.10 0.00 0.00 59.98 59.52 1lum h ARG 18 Cb 0.00 0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1lum h ARG 18 CO 0.00 1.10 -0.31 -0.44 0.10 0.00 0.00 179.97 180.43 1lum h ASP 19 N 0.33 0.37 0.00 0.08 3.32 -1.98 -2.73 116.42 115.81 1lum h ASP 19 Ca -0.06 -0.66 0.02 0.00 0.02 0.00 0.00 57.03 56.35 1lum h ASP 19 Cb 1.45 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 1lum h ASP 19 CO 0.15 0.97 -0.13 0.11 -1.72 0.00 0.00 179.24 178.62 1lum h LYS 20 N -0.20 -0.22 0.01 3.56 6.56 -1.97 0.47 116.57 124.79 1lum h LYS 20 Ca -0.02 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.59 1lum h LYS 20 Cb 0.96 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.66 1lum h LYS 20 CO 0.06 -0.15 -0.05 0.00 -2.06 0.00 0.00 179.45 177.26 1lum h ALA 21 N 0.72 -0.06 -0.41 3.86 0.00 -1.66 0.84 119.26 122.55 1lum h ALA 21 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1lum h ALA 21 Cb 0.28 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1lum h ALA 21 CO -0.13 -0.55 0.11 0.93 0.00 0.00 0.00 179.25 179.62 1lum h GLU 22 N -0.09 0.25 -0.04 0.00 5.08 -1.21 1.38 114.58 119.95 1lum h GLU 22 Ca 0.02 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1lum h GLU 22 Cb 0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1lum h GLU 22 CO -0.04 0.17 -0.03 1.57 -1.00 0.00 0.00 179.01 179.68 1lum h LYS 23 N 0.26 -0.03 -0.70 2.33 2.10 0.48 1.24 116.57 122.25 1lum h LYS 23 Ca 0.19 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.87 1lum h LYS 23 Cb 0.21 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.50 1lum h LYS 23 CO -0.22 -0.02 0.44 1.37 -2.00 0.00 0.00 179.45 179.02 1lum h LEU 24 N -0.03 0.74 0.02 7.07 8.10 0.16 0.16 115.31 131.53 1lum h LEU 24 Ca 0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 1lum h LEU 24 Cb 0.07 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.13 1lum h LEU 24 CO -0.06 0.52 -0.01 -0.07 -4.11 0.00 0.00 178.44 174.71 1lum h LEU 25 N 0.88 -0.03 -1.11 0.17 3.38 0.26 -2.69 115.31 116.18 1lum h LEU 25 Ca 0.27 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.22 1lum h LEU 25 Cb -0.02 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 1lum h LEU 25 CO -0.09 0.12 0.61 -0.07 0.09 0.00 0.00 178.44 179.10 1lum h LEU 26 N -0.17 0.86 -0.28 1.67 3.38 0.20 3.25 115.31 124.22 1lum h LEU 26 Ca -0.00 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1lum h LEU 26 Cb 0.16 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1lum h LEU 26 CO 0.01 0.48 -0.02 -0.78 0.09 0.00 0.00 178.44 178.22 1lum h ASP 27 N 0.94 -0.15 0.00 -0.43 3.58 -0.37 -3.31 116.42 116.68 1lum h ASP 27 Ca 0.46 0.07 -0.18 0.00 0.42 0.00 0.00 57.03 57.80 1lum h ASP 27 Cb 0.47 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.62 1lum h ASP 27 CO -0.22 -0.04 -1.21 1.07 -2.88 0.00 0.00 179.24 175.95 1lum n THR 28 N -5.18 1.50 -2.45 2.25 5.66 -0.74 -5.05 114.28 110.25 1lum n THR 28 Ca -0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1lum n THR 28 Cb 0.15 -2.14 0.02 0.00 -1.55 0.00 0.00 70.33 66.81 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 1.46 -0.53 3.64 1.09 0.00 1.08 -5.02 105.19 106.92 1lum n GLY 29 Ca -0.27 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1lum n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lum s LYS 30 N -3.44 4.04 -0.46 1.61 3.01 -1.26 -4.74 119.74 118.50 1lum s LYS 30 Ca 0.15 -0.28 -0.35 0.00 -1.01 0.00 0.00 55.97 54.48 1lum s LYS 30 Cb -0.02 -3.57 -0.16 0.00 -1.01 0.00 0.00 37.83 33.07 1lum s LYS 30 CO 0.43 0.00 1.81 -1.91 0.51 0.00 0.00 175.35 176.19 1lum n GLU 31 N 4.47 0.00 -2.43 1.68 0.00 -1.26 0.36 120.64 123.46 1lum n GLU 31 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 56.96 1lum n GLU 31 Cb 0.52 -1.23 0.01 0.00 0.00 0.00 0.00 31.44 30.74 1lum n GLU 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lum n GLY 32 N 6.05 0.38 3.43 8.31 0.00 0.25 -4.22 105.19 119.39 1lum n GLY 32 Ca 0.46 -0.57 -0.51 0.00 0.00 0.00 0.00 46.02 45.40 1lum n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lum n ALA 33 N -2.17 1.03 -2.71 4.61 0.00 1.53 -2.15 120.51 120.65 1lum n ALA 33 Ca -0.03 -0.04 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1lum n ALA 33 Cb 0.53 -2.52 -0.08 0.00 0.00 0.00 0.00 19.45 17.39 1lum n ALA 33 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1lum s PHE 34 N 7.23 3.41 0.12 0.00 5.36 0.46 0.23 117.98 134.78 1lum s PHE 34 Ca 1.10 0.43 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 1lum s PHE 34 Cb -0.90 -2.28 -0.04 0.00 -0.34 0.00 0.00 43.02 39.46 1lum s PHE 34 CO 0.50 0.20 -0.04 1.41 -1.46 0.00 0.00 175.22 175.83 1lum s MET 35 N 0.62 0.90 0.03 10.12 -2.45 1.09 0.67 119.30 130.28 1lum s MET 35 Ca 0.12 -1.39 0.01 0.00 -1.25 0.00 0.00 55.69 53.18 1lum s MET 35 Cb -0.12 -0.18 -0.02 0.00 1.25 0.00 0.00 34.83 35.75 1lum s MET 35 CO 0.02 -0.06 -0.05 0.08 1.05 0.00 0.00 175.02 176.06 1lum s VAL 36 N -3.67 0.30 0.20 10.11 1.01 1.71 0.52 120.40 130.58 1lum s VAL 36 Ca 0.15 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1lum s VAL 36 Cb 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1lum s VAL 36 CO -0.02 -0.45 0.22 0.00 0.00 0.00 0.00 175.10 174.85 1lum s ARG 37 N -1.51 1.25 0.46 2.72 1.70 1.03 0.45 118.95 125.04 1lum s ARG 37 Ca -0.13 -1.47 -0.22 0.00 -0.47 0.00 0.00 55.73 53.44 1lum s ARG 37 Cb -0.10 0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 34.52 1lum s ARG 37 CO -0.00 -0.44 1.06 0.34 -1.08 0.00 0.00 175.30 175.17 1lum s ASP 38 N -3.09 6.42 0.00 -2.89 2.15 -1.26 0.54 116.67 118.54 1lum s ASP 38 Ca 0.31 2.01 0.00 0.00 0.43 0.00 0.00 52.55 55.30 1lum s ASP 38 Cb 0.05 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1lum s ASP 38 CO 0.09 -0.73 0.00 -1.54 -0.17 0.00 0.00 175.17 172.82 1lum n SER 39 N -0.67 0.00 -0.93 -0.34 3.41 -0.93 -4.44 113.62 109.72 1lum n SER 39 Ca 0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.66 1lum n SER 39 Cb 0.51 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 1lum n SER 39 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1lum n ARG 40 N 0.00 0.09 0.00 4.33 1.85 -1.26 -5.03 116.66 116.64 1lum n ARG 40 Ca 0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 57.85 56.37 1lum n ARG 40 Cb 0.00 0.46 0.00 0.00 -1.05 0.00 0.00 32.46 31.87 1lum n ARG 40 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1lum n THR 41 N -0.11 0.00 0.00 8.89 5.66 -1.26 -4.96 114.28 122.51 1lum n THR 41 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1lum n THR 41 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 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 -4.02 135.00 130.79 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 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 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 -0.36 1.54 3.78 -1.23 0.00 -1.26 -4.99 105.19 102.66 1lum n GLY 43 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1lum n GLY 43 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1lum s THR 44 N -2.00 3.33 0.27 2.61 -1.32 -1.26 -4.93 115.64 112.35 1lum s THR 44 Ca 0.00 0.43 0.12 0.00 -1.21 0.00 0.00 61.69 61.03 1lum s THR 44 Cb 0.00 -3.03 -0.05 0.00 -1.51 0.00 0.00 72.50 67.91 1lum s THR 44 CO 0.00 -0.56 -0.19 -0.31 -2.21 0.00 0.00 174.62 171.34 1lum s TYR 45 N -2.99 2.31 0.06 9.09 1.51 -1.17 -2.18 117.35 123.98 1lum s TYR 45 Ca 0.61 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1lum s TYR 45 Cb -0.16 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1lum s TYR 45 CO 0.56 0.70 0.22 0.99 -1.11 0.00 0.00 175.55 176.91 1lum s THR 46 N -2.44 5.38 -0.19 -0.71 2.01 2.11 0.40 115.64 122.20 1lum s THR 46 Ca 0.29 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 1lum s THR 46 Cb -0.05 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.88 1lum s THR 46 CO 0.15 0.14 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.47 1lum s VAL 47 N -1.51 1.27 -0.39 3.82 1.01 2.34 0.34 120.40 127.28 1lum s VAL 47 Ca 0.35 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1lum s VAL 47 Cb -0.13 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1lum s VAL 47 CO 0.27 0.08 0.60 -0.55 0.00 0.00 0.00 175.10 175.51 1lum s SER 48 N 1.55 6.35 -0.28 3.32 0.15 1.98 0.51 113.70 127.28 1lum s SER 48 Ca -0.01 -0.14 -0.06 0.00 0.70 0.00 0.00 55.95 56.44 1lum s SER 48 Cb -0.16 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1lum s SER 48 CO -0.08 -0.65 0.05 0.68 1.20 0.00 0.00 173.24 174.45 1lum s VAL 49 N 2.66 3.84 -0.13 4.45 -7.23 0.48 0.35 120.40 124.82 1lum s VAL 49 Ca 0.22 -0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 59.73 1lum s VAL 49 Cb -0.15 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 1lum s VAL 49 CO 0.16 0.16 -0.04 0.12 -0.31 0.00 0.00 175.10 175.20 1lum s PHE 50 N 1.50 3.03 -0.24 2.82 2.19 0.62 0.23 117.98 128.13 1lum s PHE 50 Ca 0.03 -0.17 -0.11 0.00 0.33 0.00 0.00 56.93 57.01 1lum s PHE 50 Cb -0.16 -1.89 -0.05 0.00 -1.31 0.00 0.00 43.02 39.61 1lum s PHE 50 CO 0.01 0.10 0.20 0.99 1.83 0.00 0.00 175.22 178.36 1lum s THR 51 N -0.02 5.33 0.59 0.12 2.01 0.63 0.44 115.64 124.74 1lum s THR 51 Ca 0.01 0.27 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 1lum s THR 51 Cb -0.13 -3.54 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1lum s THR 51 CO 0.03 0.32 0.46 2.29 -0.69 0.00 0.00 174.62 177.03 1lum n LYS 52 N 4.37 0.44 0.00 4.92 0.00 -1.26 -3.29 118.16 123.34 1lum n LYS 52 Ca -0.14 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1lum n LYS 52 Cb 0.52 -1.66 0.00 0.00 -0.00 0.00 0.00 35.03 33.88 1lum n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1lum n ALA 53 N -1.79 0.00 -0.81 0.58 0.00 -1.26 -4.50 120.51 112.72 1lum n ALA 53 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 1lum n ALA 53 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 1lum n ALA 53 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1lum n ILE 54 N 0.00 0.00 0.00 0.00 -6.64 -1.26 -4.76 119.36 106.70 1lum n ILE 54 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1lum n ILE 54 Cb 0.00 -0.51 0.00 0.00 -1.44 0.00 0.00 39.64 37.69 1lum n ILE 54 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1lum n ILE 55 N -1.10 0.00 -0.79 7.28 3.06 -1.26 -4.88 119.36 121.66 1lum n ILE 55 Ca -0.04 0.00 0.08 0.00 -2.50 0.00 0.00 62.75 60.29 1lum n ILE 55 Cb 0.20 -0.04 0.24 0.00 0.54 0.00 0.00 39.64 40.58 1lum n ILE 55 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1lum n SER 56 N 0.00 3.71 0.00 9.51 3.41 -1.26 -4.88 113.62 124.11 1lum n SER 56 Ca 0.00 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1lum n SER 56 Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1lum n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lum n GLU 57 N -0.22 0.00 0.00 4.33 4.71 -1.26 -5.18 120.64 123.01 1lum n GLU 57 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 1lum n GLU 57 Cb 0.79 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.22 1lum n GLU 57 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1lum n ASN 58 N 0.00 0.00 -4.93 1.62 0.23 -1.26 -4.82 115.26 106.10 1lum n ASN 58 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.80 1lum n ASN 58 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1lum n ASN 58 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1lum s PRO 59 N -0.78 3.53 -0.05 -0.53 0.04 -1.26 -4.63 135.00 131.32 1lum s PRO 59 Ca 0.00 -0.17 0.01 0.00 0.04 0.00 0.00 61.00 60.88 1lum s PRO 59 Cb 0.00 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.94 1lum s PRO 59 CO 0.00 0.11 -0.06 0.00 0.04 0.00 0.00 177.00 177.09 1lum s ILE 61 N 0.86 4.05 -0.16 0.00 1.09 -1.25 -0.27 121.20 125.52 1lum s ILE 61 Ca -0.12 -0.78 -0.06 0.00 -1.10 0.00 0.00 60.65 58.59 1lum s ILE 61 Cb -0.15 -3.15 -0.04 0.00 -1.06 0.00 0.00 42.46 38.07 1lum s ILE 61 CO 0.01 -0.01 0.03 -0.54 -0.10 0.00 0.00 174.94 174.33 1lum s LYS 62 N 1.49 3.71 -0.53 2.79 1.02 0.63 -4.86 119.74 124.00 1lum s LYS 62 Ca 0.02 -0.38 -0.19 0.00 0.02 0.00 0.00 55.97 55.43 1lum s LYS 62 Cb -0.18 -3.07 0.07 0.00 -0.52 0.00 0.00 37.83 34.12 1lum s LYS 62 CO 0.03 0.37 0.66 -1.01 -0.92 0.00 0.00 175.35 174.49 1lum s HIS 63 N 0.06 3.02 -0.33 3.18 3.76 -1.26 0.18 115.29 123.91 1lum s HIS 63 Ca 0.04 -0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 54.23 1lum s HIS 63 Cb -0.13 -3.66 -0.02 0.00 1.11 0.00 0.00 32.58 29.89 1lum s HIS 63 CO 0.01 -1.11 0.30 0.71 -0.85 0.00 0.00 174.74 173.80 1lum s TYR 64 N 2.73 3.22 0.19 1.40 2.02 1.90 -4.79 117.35 124.03 1lum s TYR 64 Ca 0.15 -0.04 -0.18 0.00 -0.37 0.00 0.00 57.07 56.63 1lum s TYR 64 Cb -0.20 -2.56 -0.08 0.00 -0.40 0.00 0.00 41.96 38.73 1lum s TYR 64 CO 0.11 -0.36 0.66 -1.58 -1.57 0.00 0.00 175.55 172.82 1lum s HIS 65 N 1.88 3.64 -0.54 2.71 2.46 -1.26 0.57 115.29 124.75 1lum s HIS 65 Ca 0.09 1.27 -0.21 0.00 0.47 0.00 0.00 55.06 56.69 1lum s HIS 65 Cb -0.17 -2.53 0.06 0.00 -0.13 0.00 0.00 32.58 29.81 1lum s HIS 65 CO 0.11 0.37 0.74 0.42 -2.47 0.00 0.00 174.74 173.92 1lum s ILE 66 N -1.49 4.70 0.52 0.89 -1.09 1.31 -3.95 121.20 122.08 1lum s ILE 66 Ca 0.41 -0.34 -0.19 0.00 -2.23 0.00 0.00 60.65 58.30 1lum s ILE 66 Cb -0.16 -4.41 -0.07 0.00 -1.58 0.00 0.00 42.46 36.24 1lum s ILE 66 CO 0.20 -0.97 1.04 -0.75 -1.23 0.00 0.00 174.94 173.23 1lum s LYS 67 N 3.09 3.68 -0.07 2.79 2.47 2.02 -3.03 119.74 130.68 1lum s LYS 67 Ca 0.19 1.28 0.03 0.00 -1.56 0.00 0.00 55.97 55.91 1lum s LYS 67 Cb -0.18 -2.08 -0.02 0.00 -1.46 0.00 0.00 37.83 34.09 1lum s LYS 67 CO 0.13 -0.53 -0.15 -1.21 0.16 0.00 0.00 175.35 173.75 1lum s GLU 68 N -3.53 2.73 0.24 4.03 2.02 -1.17 0.38 118.70 123.40 1lum s GLU 68 Ca 0.66 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.94 1lum s GLU 68 Cb -0.16 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1lum s GLU 68 CO 0.25 0.49 0.17 0.95 0.02 0.00 0.00 175.26 177.14 1lum s THR 69 N -0.39 0.04 -1.41 3.63 -4.23 1.76 -4.86 115.64 110.18 1lum s THR 69 Ca 0.04 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 1lum s THR 69 Cb -0.12 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 71.14 1lum s THR 69 CO 0.02 0.00 2.63 0.59 -0.54 0.00 0.00 174.62 177.32 1lum n ASN 70 N -0.63 6.98 -0.33 3.99 5.03 -1.26 -3.64 115.26 125.39 1lum n ASN 70 Ca 0.03 -2.55 0.00 0.00 0.87 0.00 0.00 54.58 52.93 1lum n ASN 70 Cb 0.65 -1.45 0.00 0.00 -1.02 0.00 0.00 39.78 37.96 1lum n ASN 70 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1lum n ASP 71 N 4.23 -2.48 -3.21 6.41 5.68 -0.19 -4.92 116.55 122.07 1lum n ASP 71 Ca 0.66 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.88 1lum n ASP 71 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1lum n ASP 71 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1lum n SER 72 N -3.51 -7.10 0.00 -1.12 2.88 -1.26 -4.17 113.62 99.34 1lum n SER 72 Ca 0.00 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1lum n SER 72 Cb 0.00 -4.40 0.00 0.00 -0.75 0.00 0.00 64.21 59.06 1lum n SER 72 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1lum n PRO 73 N -1.73 0.00 0.00 -1.46 -0.02 -1.26 -5.02 135.00 125.51 1lum n PRO 73 Ca -0.06 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1lum n PRO 73 Cb 0.54 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 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 -1.04 3.52 -0.04 -0.52 4.76 -1.24 -4.97 118.16 118.63 1lum n LYS 74 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1lum n LYS 74 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 1lum n LYS 74 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1lum n ARG 75 N 0.00 0.25 -3.12 1.97 1.74 -0.75 -1.02 116.66 115.73 1lum n ARG 75 Ca 0.00 0.37 -0.33 0.00 -0.77 0.00 0.00 57.85 57.11 1lum n ARG 75 Cb 0.00 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.72 3.44 -0.05 -1.55 2.02 0.85 0.48 117.35 120.82 1lum s TYR 76 Ca -0.09 1.28 -0.29 0.00 -0.37 0.00 0.00 57.07 57.59 1lum s TYR 76 Cb 0.01 -2.57 0.11 0.00 -0.40 0.00 0.00 41.96 39.11 1lum s TYR 76 CO 0.13 0.15 0.91 1.52 -1.57 0.00 0.00 175.55 176.70 1lum s TYR 77 N -1.87 -0.36 -0.48 2.71 1.13 1.22 0.56 117.35 120.25 1lum s TYR 77 Ca 0.51 0.37 0.08 0.00 -1.41 0.00 0.00 57.07 56.62 1lum s TYR 77 Cb -0.12 0.51 0.34 0.00 -1.10 0.00 0.00 41.96 41.59 1lum s TYR 77 CO 0.18 -0.48 0.84 1.33 -2.51 0.00 0.00 175.55 174.90 1lum n VAL 78 N 0.08 1.52 0.00 -3.49 0.24 -1.25 0.52 118.33 115.95 1lum n VAL 78 Ca -0.09 -5.10 0.00 0.00 -2.04 0.00 0.00 64.34 57.11 1lum n VAL 78 Cb 0.60 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 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 0.05 0.00 -2.34 2.33 0.00 -1.26 -4.82 120.51 114.47 1lum n ALA 79 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.62 1lum n ALA 79 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.69 0.00 0.00 1.02 -1.26 -4.64 120.64 114.07 1lum n GLU 80 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1lum n GLU 80 Cb 0.00 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 28.63 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 -1.96 0.00 -3.75 3.49 2.85 -1.26 -5.01 118.16 112.53 1lum n LYS 81 Ca 0.03 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.00 1lum n LYS 81 Cb 0.29 -0.19 -0.16 0.00 -0.65 0.00 0.00 35.03 34.32 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 -0.40 1.29 0.60 5.58 1.51 -1.26 -5.02 117.35 119.64 1lum s TYR 82 Ca 0.00 -1.13 -0.13 0.00 -1.01 0.00 0.00 57.07 54.80 1lum s TYR 82 Cb 0.00 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1lum s TYR 82 CO 0.00 -0.69 1.02 0.08 -1.11 0.00 0.00 175.55 174.85 1lum s VAL 83 N 1.77 4.47 0.14 0.71 1.01 -1.24 -4.46 120.40 122.80 1lum s VAL 83 Ca 0.01 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 1lum s VAL 83 Cb -0.17 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1lum s VAL 83 CO -0.12 -0.91 0.26 -0.36 0.00 0.00 0.00 175.10 173.97 1lum s PHE 84 N -2.93 0.28 -2.00 5.22 0.40 2.24 -3.66 117.98 117.52 1lum s PHE 84 Ca 0.57 -0.66 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1lum s PHE 84 Cb -0.12 -0.04 0.10 0.00 0.51 0.00 0.00 43.02 43.48 1lum s PHE 84 CO 0.46 -0.66 1.03 -0.25 0.70 0.00 0.00 175.22 176.50 1lum n ASP 85 N -0.16 0.00 0.00 1.36 9.92 -1.26 0.29 116.55 126.70 1lum n ASP 85 Ca -0.10 -1.88 0.00 0.00 -0.53 0.00 0.00 54.79 52.28 1lum n ASP 85 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1lum n ASP 85 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1lum n SER 86 N -0.53 0.00 -0.18 -2.24 3.41 -1.26 -4.88 113.62 107.94 1lum n SER 86 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.61 1lum n SER 86 Cb 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1lum n SER 86 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1lum h ILE 87 N 1.18 0.74 -0.47 -1.33 5.03 -1.95 0.84 117.51 121.56 1lum h ILE 87 Ca 0.00 -0.11 0.09 0.00 -0.12 0.00 0.00 64.86 64.72 1lum h ILE 87 Cb 0.00 0.40 -0.08 0.00 -3.03 0.00 0.00 36.82 34.11 1lum h ILE 87 CO 0.00 0.06 0.01 1.55 -0.68 0.00 0.00 178.15 179.09 1lum h PRO 88 N 0.31 0.12 -0.10 2.37 0.13 -1.95 8.22 132.00 141.10 1lum h PRO 88 Ca 0.28 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.34 1lum h PRO 88 Cb 0.36 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1lum h PRO 88 CO -0.32 0.08 -0.19 -0.07 -0.23 0.00 0.00 178.00 177.27 1lum h LEU 89 N 0.12 0.34 -1.30 1.56 4.07 -1.80 4.53 115.31 122.84 1lum h LEU 89 Ca 0.23 -0.55 0.10 0.00 0.08 0.00 0.00 57.88 57.74 1lum h LEU 89 Cb 0.34 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.93 1lum h LEU 89 CO -0.38 0.83 0.54 0.25 -1.08 0.00 0.00 178.44 178.59 1lum h LEU 90 N -0.13 0.70 0.06 1.67 6.46 0.18 1.45 115.31 125.70 1lum h LEU 90 Ca 0.01 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.70 1lum h LEU 90 Cb 0.76 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1lum h LEU 90 CO 0.04 0.42 -0.36 0.40 -0.62 0.00 0.00 178.44 178.31 1lum h ILE 91 N 0.78 1.65 -0.84 4.05 1.08 1.79 -2.85 117.51 123.16 1lum h ILE 91 Ca 0.38 -2.37 0.13 0.00 -0.39 0.00 0.00 64.86 62.61 1lum h ILE 91 Cb 0.44 3.24 -0.06 0.00 -3.07 0.00 0.00 36.82 37.36 1lum h ILE 91 CO -0.15 0.64 0.55 1.56 -0.69 0.00 0.00 178.15 180.06 1lum h GLN 92 N -0.68 0.64 -0.36 2.37 1.08 0.99 1.82 115.11 120.97 1lum h GLN 92 Ca -0.06 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 1lum h GLN 92 Cb 1.26 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 1lum h GLN 92 CO 0.07 0.42 -0.08 0.10 -0.95 0.00 0.00 178.83 178.39 1lum h TYR 93 N 0.66 0.78 -0.09 2.96 -0.00 0.19 -2.50 116.97 118.96 1lum h TYR 93 Ca 0.41 -0.17 -0.05 0.00 0.00 0.00 0.00 58.73 58.93 1lum h TYR 93 Cb 0.67 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 37.21 1lum h TYR 93 CO -0.00 0.84 -0.14 0.45 -0.00 0.00 0.00 178.16 179.31 1lum h HIS 94 N 0.49 0.32 -1.14 0.10 3.86 -0.65 0.56 115.15 118.68 1lum h HIS 94 Ca 0.09 -0.11 0.33 0.00 -1.16 0.00 0.00 60.37 59.52 1lum h HIS 94 Cb 0.59 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.95 1lum h HIS 94 CO 0.05 0.73 0.81 1.96 0.86 0.00 0.00 177.93 182.35 1lum h GLN 95 N -0.19 0.04 0.00 2.45 1.08 0.27 -3.26 115.11 115.50 1lum h GLN 95 Ca 0.01 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1lum h GLN 95 Cb 0.70 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1lum h GLN 95 CO 0.03 0.03 0.00 0.66 -0.95 0.00 0.00 178.83 178.60 1lum n TYR 96 N -4.24 0.00 -0.98 2.96 4.02 -0.95 -4.79 117.16 113.19 1lum n TYR 96 Ca 0.25 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.76 1lum n TYR 96 Cb 1.18 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.54 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 -1.17 -3.65 -3.60 7.72 5.03 0.19 -4.68 115.26 115.10 1lum n ASN 97 Ca 0.00 0.04 -0.41 0.00 0.87 0.00 0.00 54.58 55.08 1lum n ASN 97 Cb 0.00 -0.60 -0.01 0.00 -1.02 0.00 0.00 39.78 38.15 1lum n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1lum n GLY 98 N 3.39 4.18 3.63 7.41 0.00 -1.26 -4.60 105.19 117.94 1lum n GLY 98 Ca -0.02 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 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 3.12 1.03 0.53 -0.02 0.00 -1.26 -4.79 107.32 105.92 1lum s GLY 99 Ca 0.53 0.98 0.08 0.00 0.00 0.00 0.00 44.72 46.30 1lum s GLY 99 CO -0.06 3.54 1.15 -1.33 0.00 0.00 0.00 173.10 176.40 1lum h GLY 100 N 12.61 0.00 -1.42 0.20 0.00 -1.96 -1.50 103.07 111.00 1lum h GLY 100 Ca -0.44 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.57 1lum h GLY 100 CO 0.96 0.00 -1.14 1.04 0.00 0.00 0.00 176.54 177.40 1lum n LEU 101 N -2.31 -2.17 -0.40 3.11 4.32 -1.26 -4.64 117.00 113.64 1lum n LEU 101 Ca -0.01 -0.15 0.35 0.00 -0.02 0.00 0.00 56.01 56.18 1lum n LEU 101 Cb 0.72 -0.69 0.61 0.00 -1.62 0.00 0.00 43.42 42.43 1lum n LEU 101 CO 0.03 -2.79 1.10 1.33 -1.22 0.00 0.00 177.39 175.84 1lum n VAL 102 N -3.93 -0.29 -2.65 4.08 0.24 -1.26 -3.35 118.33 111.17 1lum n VAL 102 Ca 0.01 1.76 -0.04 0.00 -2.04 0.00 0.00 64.34 64.04 1lum n VAL 102 Cb 0.48 -2.88 0.05 0.00 -1.47 0.00 0.00 33.84 30.02 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 -4.76 0.00 -3.80 3.34 5.66 -1.26 -5.01 114.28 108.45 1lum n THR 103 Ca 0.37 -0.85 -0.25 0.00 -3.05 0.00 0.00 64.05 60.27 1lum n THR 103 Cb 1.39 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 70.92 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 -0.62 -1.54 -3.29 1.09 1.85 -0.56 -2.42 116.66 111.15 1lum n ARG 104 Ca -0.15 0.74 -0.31 0.00 -1.00 0.00 0.00 57.85 57.14 1lum n ARG 104 Cb 0.72 -2.20 0.02 0.00 -1.05 0.00 0.00 32.46 29.96 1lum n ARG 104 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1lum n LEU 105 N -2.62 -1.95 0.02 2.89 7.99 -1.23 -3.15 117.00 118.95 1lum n LEU 105 Ca -0.33 -0.34 -0.11 0.00 -0.01 0.00 0.00 56.01 55.22 1lum n LEU 105 Cb 0.70 -1.37 0.01 0.00 -0.11 0.00 0.00 43.42 42.65 1lum n LEU 105 CO 0.64 0.11 0.37 -0.09 -1.51 0.00 0.00 177.39 176.90 1lum h ARG 106 N 1.27 0.54 -0.79 3.23 9.65 -1.46 -3.31 114.38 123.51 1lum h ARG 106 Ca -0.52 -0.41 0.03 0.00 -1.10 0.00 0.00 59.98 57.98 1lum h ARG 106 Cb 1.22 0.08 -0.19 0.00 -1.39 0.00 0.00 29.97 29.68 1lum h ARG 106 CO 0.23 1.04 -0.32 -0.47 2.80 0.00 0.00 179.97 183.24 1lum s TYR 107 N -3.76 -1.42 -0.32 2.20 5.04 -0.91 -4.97 117.35 113.21 1lum s TYR 107 Ca -0.07 0.49 -0.35 0.00 -2.44 0.00 0.00 57.07 54.70 1lum s TYR 107 Cb 0.10 0.25 -0.11 0.00 0.35 0.00 0.00 41.96 42.56 1lum s TYR 107 CO 0.86 -0.90 2.17 -0.35 -1.34 0.00 0.00 175.55 175.98 1lum n PRO 108 N 4.70 1.21 -3.42 4.97 -0.04 -1.23 0.17 135.00 141.37 1lum n PRO 108 Ca 0.08 0.34 -0.38 0.00 -0.04 0.00 0.00 63.50 63.51 1lum n PRO 108 Cb 0.57 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.43 1lum n PRO 108 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1lum s VAL 109 N 7.18 5.17 -0.54 0.52 0.11 3.10 -3.55 120.40 132.38 1lum s VAL 109 Ca 1.08 0.82 0.04 0.00 -2.93 0.00 0.00 61.98 60.98 1lum s VAL 109 Cb -0.80 -3.74 0.14 0.00 -1.53 0.00 0.00 36.38 30.45 1lum s VAL 109 CO 0.48 0.42 0.32 0.00 -3.33 0.00 0.00 175.10 172.99