#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djm s SER 2 N 0.00 6.34 0.08 0.00 1.04 -1.26 -5.00 113.70 114.90 2djm s SER 2 Ca 0.00 0.39 -0.22 0.00 0.48 0.00 0.00 55.95 56.60 2djm s SER 2 Cb 0.00 -2.14 -0.12 0.00 0.10 0.00 0.00 66.02 63.86 2djm s SER 2 CO 0.00 0.14 1.65 0.40 0.98 0.00 0.00 173.24 176.41 2djm h ILE 3 N 4.66 1.12 -3.34 -1.02 1.08 -2.03 -3.43 117.51 114.54 2djm h ILE 3 Ca -0.41 -0.33 -0.57 0.00 -0.39 0.00 0.00 64.86 63.15 2djm h ILE 3 Cb 1.16 1.16 0.11 0.00 -3.07 0.00 0.00 36.82 36.18 2djm h ILE 3 CO 0.75 0.10 0.51 -2.65 -0.69 0.00 0.00 178.15 176.17 2djm n PRO 4 N -4.95 2.12 0.03 2.37 -0.02 -1.26 -4.93 135.00 128.36 2djm n PRO 4 Ca -0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2djm n PRO 4 Cb 0.09 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2djm n PRO 4 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2djm n SER 5 N 0.72 0.12 -0.01 2.55 2.88 -1.26 -5.01 113.62 113.61 2djm n SER 5 Ca 0.05 0.09 -0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2djm n SER 5 Cb 0.36 0.02 -0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2djm n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2djm h SER 6 N 0.00 0.00 -0.34 -3.46 0.87 -1.88 -3.51 113.55 105.23 2djm h SER 6 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2djm h SER 6 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2djm h SER 6 CO 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 176.37 2djm n ALA 7 N -2.35 0.00 0.09 6.23 0.00 -1.26 -5.01 120.51 118.21 2djm n ALA 7 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 2djm n ALA 7 Cb 0.02 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.88 2djm n ALA 7 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2djm h SER 8 N 0.00 0.30 -3.64 0.00 0.02 -1.96 -3.43 113.55 104.83 2djm h SER 8 Ca 0.00 -0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 60.23 2djm h SER 8 Cb 0.00 -0.08 -0.18 0.00 0.14 0.00 0.00 62.40 62.28 2djm h SER 8 CO 0.00 0.37 -0.79 0.54 -1.14 0.00 0.00 176.83 175.81 2djm s VAL 9 N -4.95 2.90 -0.10 2.27 0.11 -1.26 -0.18 120.40 119.18 2djm s VAL 9 Ca -0.06 -1.51 -0.04 0.00 -2.93 0.00 0.00 61.98 57.43 2djm s VAL 9 Cb 0.16 -2.34 0.05 0.00 -1.53 0.00 0.00 36.38 32.72 2djm s VAL 9 CO 0.73 0.08 0.22 -1.58 -3.33 0.00 0.00 175.10 171.22 2djm s GLN 10 N -2.21 0.14 0.16 1.54 0.74 0.12 -4.74 119.66 115.40 2djm s GLN 10 Ca 0.19 0.58 -0.31 0.00 0.05 0.00 0.00 55.36 55.87 2djm s GLN 10 Cb -0.10 -0.13 -0.09 0.00 1.10 0.00 0.00 33.01 33.79 2djm s GLN 10 CO 0.11 -0.23 1.40 -1.17 -0.55 0.00 0.00 175.29 174.85 2djm s LEU 11 N 1.78 4.38 -0.09 3.68 2.96 -1.26 -1.70 118.68 128.44 2djm s LEU 11 Ca -0.04 2.42 -0.01 0.00 -0.22 0.00 0.00 54.13 56.28 2djm s LEU 11 Cb -0.11 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 2djm s LEU 11 CO -0.08 -0.65 -0.02 -0.78 -1.32 0.00 0.00 176.35 173.51 2djm h ASP 12 N 6.24 0.00 -4.21 3.68 1.82 -1.88 -3.46 116.42 118.62 2djm h ASP 12 Ca -0.43 0.00 0.27 0.00 -0.39 0.00 0.00 57.03 56.47 2djm h ASP 12 Cb 1.21 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 41.03 2djm h ASP 12 CO 0.84 0.43 0.84 -0.94 -1.61 0.00 0.00 179.24 178.80 2djm s SER 13 N -5.11 -0.12 0.13 2.28 1.04 -1.20 -5.06 113.70 105.67 2djm s SER 13 Ca -0.01 -0.00 -0.14 0.00 0.48 0.00 0.00 55.95 56.28 2djm s SER 13 Cb 0.00 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.27 2djm s SER 13 CO 0.02 -0.20 0.37 -0.72 0.98 0.00 0.00 173.24 173.69 2djm s TYR 14 N -2.35 -0.05 0.25 5.02 -0.85 -1.26 -1.58 117.35 116.51 2djm s TYR 14 Ca 0.10 -0.29 0.05 0.00 -0.52 0.00 0.00 57.07 56.40 2djm s TYR 14 Cb -0.01 0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 2djm s TYR 14 CO -0.04 -0.71 -0.02 -0.80 -1.52 0.00 0.00 175.55 172.46 2djm s ASN 15 N -2.85 2.15 0.03 -0.18 0.01 0.22 -4.96 114.94 109.36 2djm s ASN 15 Ca 0.06 -1.21 -0.08 0.00 -0.71 0.00 0.00 52.86 50.92 2djm s ASN 15 Cb 0.02 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.63 2djm s ASN 15 CO -0.09 -0.46 0.16 -0.47 -1.51 0.00 0.00 177.10 174.74 2djm s TYR 16 N -3.28 0.07 -0.30 2.20 5.04 -1.25 -2.72 117.35 117.11 2djm s TYR 16 Ca 0.29 -0.25 -0.16 0.00 -2.44 0.00 0.00 57.07 54.50 2djm s TYR 16 Cb 0.05 -0.05 0.20 0.00 0.35 0.00 0.00 41.96 42.51 2djm s TYR 16 CO 0.10 -0.37 1.23 0.16 -1.34 0.00 0.00 175.55 175.33 2djm s ASP 17 N -1.84 -0.11 1.25 4.32 -4.77 -1.21 -4.96 116.67 109.35 2djm s ASP 17 Ca -0.08 0.18 0.00 0.00 -3.30 0.00 0.00 52.55 49.35 2djm s ASP 17 Cb -0.03 1.05 0.00 0.00 -1.09 0.00 0.00 42.92 42.85 2djm s ASP 17 CO -0.02 -0.03 0.00 0.61 0.70 0.00 0.00 175.17 176.43 2djm n GLY 18 N 3.27 0.56 2.51 2.12 0.00 -1.26 -1.90 105.19 110.48 2djm n GLY 18 Ca -0.17 0.58 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 2djm n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djm s SER 19 N -4.00 2.64 -0.08 1.61 0.01 -1.26 -5.04 113.70 107.58 2djm s SER 19 Ca 0.00 -2.70 -0.04 0.00 1.31 0.00 0.00 55.95 54.52 2djm s SER 19 Cb 0.00 -0.60 0.04 0.00 0.21 0.00 0.00 66.02 65.67 2djm s SER 19 CO 0.00 -0.24 0.19 -0.89 0.41 0.00 0.00 173.24 172.71 2djm s THR 20 N 0.41 -0.04 -0.28 1.44 2.01 -0.80 -3.70 115.64 114.68 2djm s THR 20 Ca 0.24 0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.37 2djm s THR 20 Cb -0.12 -0.30 0.09 0.00 0.01 0.00 0.00 72.50 72.18 2djm s THR 20 CO -0.08 0.06 0.08 0.12 -0.69 0.00 0.00 174.62 174.12 2djm s PHE 21 N 1.10 1.39 0.11 4.92 5.36 0.96 -3.30 117.98 128.52 2djm s PHE 21 Ca -0.08 -1.43 0.02 0.00 -0.96 0.00 0.00 56.93 54.48 2djm s PHE 21 Cb -0.10 -1.45 -0.04 0.00 -0.34 0.00 0.00 43.02 41.09 2djm s PHE 21 CO -0.06 -0.81 -0.07 -1.12 -1.46 0.00 0.00 175.22 171.69 2djm s SER 22 N 1.73 1.32 0.00 6.13 0.01 -1.10 -1.36 113.70 120.42 2djm s SER 22 Ca 0.07 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2djm s SER 22 Cb -0.17 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2djm s SER 22 CO -0.23 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2djm n GLY 23 N -0.09 -0.55 3.45 3.44 0.00 0.43 0.69 105.19 112.56 2djm n GLY 23 Ca -0.11 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 2djm n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2djm s LYS 24 N -1.77 1.12 0.19 1.61 0.00 -0.62 -1.29 119.74 118.98 2djm s LYS 24 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 55.97 55.66 2djm s LYS 24 Cb 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 37.83 38.30 2djm s LYS 24 CO 0.00 -0.49 -0.21 0.42 0.00 0.00 0.00 175.35 175.07 2djm s ILE 25 N -3.52 2.13 -0.30 3.79 1.01 0.25 -3.23 121.20 121.33 2djm s ILE 25 Ca 0.02 -2.04 0.00 0.00 0.00 0.00 0.00 60.65 58.64 2djm s ILE 25 Cb -0.01 -2.03 0.09 0.00 0.01 0.00 0.00 42.46 40.52 2djm s ILE 25 CO -0.12 -0.25 0.07 -0.47 0.00 0.00 0.00 174.94 174.18 2djm s TYR 26 N -1.97 2.16 0.02 3.97 6.14 -0.69 -1.23 117.35 125.76 2djm s TYR 26 Ca 0.20 -1.95 0.02 0.00 0.64 0.00 0.00 57.07 55.98 2djm s TYR 26 Cb -0.06 -1.91 -0.02 0.00 0.42 0.00 0.00 41.96 40.39 2djm s TYR 26 CO 0.09 -0.87 -0.07 0.14 0.64 0.00 0.00 175.55 175.48 2djm s VAL 27 N 1.46 0.55 0.19 3.14 -7.23 -1.10 0.11 120.40 117.52 2djm s VAL 27 Ca 0.08 -0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 2djm s VAL 27 Cb -0.18 -0.55 -0.09 0.00 0.56 0.00 0.00 36.38 36.12 2djm s VAL 27 CO -0.19 -0.15 1.36 -0.75 -0.31 0.00 0.00 175.10 175.07 2djm s LYS 28 N -0.97 4.34 -1.03 4.82 2.20 0.75 0.61 119.74 130.46 2djm s LYS 28 Ca -0.04 2.12 -0.13 0.00 -0.36 0.00 0.00 55.97 57.55 2djm s LYS 28 Cb -0.07 -3.19 0.21 0.00 -1.51 0.00 0.00 37.83 33.27 2djm s LYS 28 CO 0.00 -0.34 1.12 0.54 -0.36 0.00 0.00 175.35 176.31 2djm s ASN 29 N 0.54 6.99 0.08 1.43 4.22 -1.21 -4.79 114.94 122.20 2djm s ASN 29 Ca 0.59 -2.91 -0.20 0.00 -2.14 0.00 0.00 52.86 48.19 2djm s ASN 29 Cb -0.38 -2.30 -0.10 0.00 1.28 0.00 0.00 41.25 39.75 2djm s ASN 29 CO 0.37 -0.63 1.60 0.40 -2.04 0.00 0.00 177.10 176.81 2djm h ILE 30 N 4.63 1.17 -4.99 0.54 5.03 -1.93 -3.44 117.51 118.52 2djm h ILE 30 Ca 0.19 -0.54 -0.38 0.00 -0.12 0.00 0.00 64.86 64.01 2djm h ILE 30 Cb 0.94 1.21 -0.05 0.00 -3.03 0.00 0.00 36.82 35.89 2djm h ILE 30 CO 1.03 0.17 -0.22 0.00 -0.68 0.00 0.00 178.15 178.45 2djm n ALA 31 N -2.24 0.44 -0.04 1.87 0.00 -1.26 -5.10 120.51 114.17 2djm n ALA 31 Ca -0.04 -1.41 -0.09 0.00 0.00 0.00 0.00 53.44 51.89 2djm n ALA 31 Cb 0.14 0.65 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 2djm n ALA 31 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2djm n TYR 32 N -1.13 0.00 -1.79 0.00 9.36 -1.26 -4.73 117.16 117.61 2djm n TYR 32 Ca -0.06 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.76 2djm n TYR 32 Cb 0.40 -0.35 -0.03 0.00 -0.63 0.00 0.00 39.34 38.73 2djm n TYR 32 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2djm n SER 33 N -3.83 3.59 -2.49 2.98 7.64 -1.26 -4.88 113.62 115.37 2djm n SER 33 Ca -0.16 -2.79 -0.04 0.00 1.01 0.00 0.00 58.87 56.90 2djm n SER 33 Cb 0.44 -1.53 0.01 0.00 -1.01 0.00 0.00 64.21 62.12 2djm n SER 33 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2djm n LYS 34 N 7.16 1.05 -3.72 1.43 5.02 -1.26 -4.54 118.16 123.30 2djm n LYS 34 Ca 0.50 -0.54 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 2djm n LYS 34 Cb 0.42 -0.01 -0.09 0.00 -0.02 0.00 0.00 35.03 35.33 2djm n LYS 34 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2djm s LYS 35 N -2.42 0.60 -0.14 1.97 -2.85 -0.88 -5.05 119.74 110.97 2djm s LYS 35 Ca 0.09 0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 2djm s LYS 35 Cb -0.01 0.28 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 2djm s LYS 35 CO 0.06 -0.13 -0.13 0.08 0.10 0.00 0.00 175.35 175.33 2djm s VAL 36 N -0.45 1.46 -0.29 1.79 1.01 -1.26 -2.56 120.40 120.10 2djm s VAL 36 Ca -0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 2djm s VAL 36 Cb -0.03 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 35.01 2djm s VAL 36 CO 0.03 0.44 -0.03 0.42 0.00 0.00 0.00 175.10 175.95 2djm s THR 37 N 1.51 2.76 -0.51 3.92 -4.23 -0.91 -1.98 115.64 116.20 2djm s THR 37 Ca 0.04 -1.43 -0.26 0.00 -1.18 0.00 0.00 61.69 58.86 2djm s THR 37 Cb -0.13 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.16 2djm s THR 37 CO -0.10 -0.06 1.03 -0.69 -0.54 0.00 0.00 174.62 174.25 2djm s VAL 38 N 1.22 4.31 -0.23 2.29 1.01 0.01 -0.05 120.40 128.95 2djm s VAL 38 Ca -0.06 0.78 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 2djm s VAL 38 Cb -0.20 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.61 2djm s VAL 38 CO -0.02 -1.03 0.01 0.68 0.00 0.00 0.00 175.10 174.73 2djm s VAL 39 N 4.19 3.89 0.10 2.92 -7.23 -1.11 0.07 120.40 123.23 2djm s VAL 39 Ca 0.39 -0.32 0.10 0.00 -1.81 0.00 0.00 61.98 60.34 2djm s VAL 39 Cb -0.09 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2djm s VAL 39 CO 0.26 0.39 -0.23 -0.72 -0.31 0.00 0.00 175.10 174.49 2djm s TYR 40 N 1.41 2.41 -1.18 2.82 -0.85 0.28 -2.10 117.35 120.14 2djm s TYR 40 Ca 0.05 -0.33 -0.19 0.00 -0.52 0.00 0.00 57.07 56.07 2djm s TYR 40 Cb -0.15 -1.33 0.08 0.00 0.38 0.00 0.00 41.96 40.95 2djm s TYR 40 CO 0.01 0.31 1.58 0.00 -1.52 0.00 0.00 175.55 175.93 2djm s ALA 41 N -1.03 3.20 0.43 9.51 0.00 0.26 -3.92 121.76 130.20 2djm s ALA 41 Ca 0.15 -2.74 0.00 0.00 0.00 0.00 0.00 51.96 49.37 2djm s ALA 41 Cb -0.10 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.50 2djm s ALA 41 CO 0.07 -3.33 0.00 -0.40 0.00 0.00 0.00 175.76 172.10 2djm n ASP 42 N 8.16 -0.56 0.32 0.00 5.75 -1.26 0.37 116.55 129.33 2djm n ASP 42 Ca 0.41 0.00 0.20 0.00 -0.01 0.00 0.00 54.79 55.39 2djm n ASP 42 Cb 0.47 0.00 1.06 0.00 -1.03 0.00 0.00 41.12 41.63 2djm n ASP 42 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2djm h GLY 43 N -0.28 0.00 2.00 6.12 0.00 -1.30 0.40 103.07 110.01 2djm h GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2djm h GLY 43 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.54 176.77 2djm h SER 44 N 0.00 0.00 -0.50 0.19 0.87 -1.86 -3.46 113.55 108.79 2djm h SER 44 Ca 0.01 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.42 2djm h SER 44 Cb 0.20 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 2djm h SER 44 CO -0.00 0.00 -0.15 -0.67 -0.53 0.00 0.00 176.83 175.48 2djm n ASP 45 N -3.06 -3.68 -3.58 6.23 2.03 0.14 -4.97 116.55 109.66 2djm n ASP 45 Ca -0.01 0.15 -0.11 0.00 0.52 0.00 0.00 54.79 55.34 2djm n ASP 45 Cb 0.20 -2.07 -0.05 0.00 -0.72 0.00 0.00 41.12 38.48 2djm n ASP 45 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2djm s ASN 46 N -2.87 -0.39 -1.12 1.67 2.47 -1.26 -4.95 114.94 108.48 2djm s ASN 46 Ca 0.00 0.47 -0.16 0.00 0.42 0.00 0.00 52.86 53.58 2djm s ASN 46 Cb 0.00 0.37 0.14 0.00 -1.45 0.00 0.00 41.25 40.31 2djm s ASN 46 CO 0.00 -0.33 1.38 0.26 -3.72 0.00 0.00 177.10 174.69 2djm s TRP 47 N -0.97 3.24 -0.81 0.43 0.52 -1.26 -4.53 118.94 115.56 2djm s TRP 47 Ca -0.02 -1.77 -0.07 0.00 0.02 0.00 0.00 56.10 54.26 2djm s TRP 47 Cb -0.01 -4.38 -0.16 0.00 -1.15 0.00 0.00 33.47 27.77 2djm s TRP 47 CO 0.01 -1.51 3.03 -1.71 0.02 0.00 0.00 176.95 176.79 2djm n ASN 48 N 6.46 6.51 0.00 2.95 2.85 -1.26 -4.55 115.26 128.22 2djm n ASN 48 Ca 0.34 -2.46 0.00 0.00 -0.11 0.00 0.00 54.58 52.35 2djm n ASN 48 Cb 0.46 -1.38 0.00 0.00 1.24 0.00 0.00 39.78 40.09 2djm n ASN 48 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2djm n ASN 49 N 3.19 0.00 -0.21 1.20 5.15 -1.26 -4.63 115.26 118.70 2djm n ASN 49 Ca 0.57 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.48 2djm n ASN 49 Cb 0.49 -0.09 0.03 0.00 -0.53 0.00 0.00 39.78 39.68 2djm n ASN 49 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2djm h ASN 50 N 0.00 0.77 -6.18 1.20 7.08 -1.94 -3.47 115.58 113.03 2djm h ASN 50 Ca 0.00 -0.12 -0.39 0.00 -3.08 0.00 0.00 56.30 52.71 2djm h ASN 50 Cb 0.00 -0.20 0.07 0.00 -2.08 0.00 0.00 38.32 36.11 2djm h ASN 50 CO 0.00 0.67 -0.85 0.61 -2.08 0.00 0.00 177.43 175.79 2djm n GLY 51 N -0.97 -1.07 3.35 9.14 0.00 -1.26 -4.63 105.19 109.76 2djm n GLY 51 Ca 0.04 0.48 -0.53 0.00 0.00 0.00 0.00 46.02 46.01 2djm n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2djm n ASN 52 N -2.56 0.81 -4.37 1.61 3.02 -1.25 -4.72 115.26 107.79 2djm n ASN 52 Ca -0.11 0.47 -0.32 0.00 -0.03 0.00 0.00 54.58 54.59 2djm n ASN 52 Cb 0.59 -0.97 -0.15 0.00 -0.61 0.00 0.00 39.78 38.65 2djm n ASN 52 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2djm s ILE 53 N 7.21 2.52 -0.11 2.41 -1.16 -1.25 -0.55 121.20 130.26 2djm s ILE 53 Ca 1.23 -0.92 -0.01 0.00 -0.51 0.00 0.00 60.65 60.44 2djm s ILE 53 Cb -1.32 -1.94 -0.02 0.00 0.61 0.00 0.00 42.46 39.78 2djm s ILE 53 CO 0.58 0.58 -0.08 -0.51 -2.81 0.00 0.00 174.94 172.70 2djm s ILE 54 N -0.51 3.52 -0.39 2.00 1.10 0.11 -4.92 121.20 122.10 2djm s ILE 54 Ca 0.07 -0.51 -0.24 0.00 -0.51 0.00 0.00 60.65 59.45 2djm s ILE 54 Cb -0.11 -2.48 0.01 0.00 0.15 0.00 0.00 42.46 40.03 2djm s ILE 54 CO 0.01 0.54 0.83 0.00 -2.11 0.00 0.00 174.94 174.21 2djm s ALA 55 N -0.11 3.38 0.53 1.50 0.00 -1.26 -0.81 121.76 124.99 2djm s ALA 55 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 2djm s ALA 55 Cb -0.13 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 2djm s ALA 55 CO 0.03 -1.64 1.00 0.00 0.00 0.00 0.00 175.76 175.15 2djm s ALA 56 N 3.28 3.00 -0.05 0.00 0.00 -0.84 -4.98 121.76 122.17 2djm s ALA 56 Ca 0.33 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.54 2djm s ALA 56 Cb -0.12 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2djm s ALA 56 CO 0.19 -0.35 -0.10 0.45 0.00 0.00 0.00 175.76 175.95 2djm s SER 57 N -3.01 1.50 0.20 0.00 0.15 -1.10 -4.46 113.70 106.99 2djm s SER 57 Ca 0.60 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.71 2djm s SER 57 Cb -0.11 -0.66 -0.08 0.00 -1.71 0.00 0.00 66.02 63.46 2djm s SER 57 CO 0.32 0.02 1.00 0.72 1.20 0.00 0.00 173.24 176.50 2djm s PHE 58 N 0.64 3.80 -0.09 3.44 -0.12 -1.26 -0.40 117.98 123.99 2djm s PHE 58 Ca -0.12 1.79 0.15 0.00 -0.05 0.00 0.00 56.93 58.69 2djm s PHE 58 Cb -0.15 -3.10 -0.12 0.00 -0.63 0.00 0.00 43.02 39.02 2djm s PHE 58 CO 0.02 0.03 0.97 1.03 -0.05 0.00 0.00 175.22 177.22 2djm h SER 59 N 4.69 0.00 -1.02 1.98 0.87 0.76 -3.46 113.55 117.37 2djm h SER 59 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2djm h SER 59 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2djm h SER 59 CO 0.70 0.68 0.00 0.61 -0.53 0.00 0.00 176.83 178.28 2djm n GLY 60 N 1.38 2.49 3.77 5.77 0.00 -1.11 -5.01 105.19 112.48 2djm n GLY 60 Ca -0.08 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 2djm n GLY 60 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2djm s PRO 61 N -2.03 3.96 -0.48 1.61 0.02 -1.26 -0.97 135.00 135.84 2djm s PRO 61 Ca 0.00 2.32 -0.26 0.00 0.02 0.00 0.00 61.00 63.08 2djm s PRO 61 Cb 0.00 -2.81 0.03 0.00 0.02 0.00 0.00 34.50 31.74 2djm s PRO 61 CO 0.00 -0.56 0.96 0.42 -0.33 0.00 0.00 177.00 177.49 2djm s ILE 62 N -1.20 4.42 0.11 2.83 1.01 0.11 -4.86 121.20 123.62 2djm s ILE 62 Ca 0.56 0.72 -0.31 0.00 0.00 0.00 0.00 60.65 61.63 2djm s ILE 62 Cb -0.42 -4.48 -0.09 0.00 0.01 0.00 0.00 42.46 37.48 2djm s ILE 62 CO 0.54 -0.91 1.70 -0.44 0.00 0.00 0.00 174.94 175.83 2djm s SER 63 N 2.39 6.53 0.00 3.58 0.01 -1.26 -2.15 113.70 122.81 2djm s SER 63 Ca 0.37 2.61 0.00 0.00 1.31 0.00 0.00 55.95 60.24 2djm s SER 63 Cb -0.10 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2djm s SER 63 CO 0.26 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2djm n GLY 64 N 4.03 0.65 3.44 3.44 0.00 -1.26 -5.07 105.19 110.42 2djm n GLY 64 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2djm n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djm s SER 65 N -1.93 -0.09 -0.72 1.61 0.01 -0.91 -5.04 113.70 106.62 2djm s SER 65 Ca 0.00 -0.72 -0.04 0.00 1.31 0.00 0.00 55.95 56.51 2djm s SER 65 Cb 0.00 0.51 0.14 0.00 0.21 0.00 0.00 66.02 66.87 2djm s SER 65 CO 0.00 -0.98 2.52 -3.20 0.41 0.00 0.00 173.24 171.99 2djm n ASN 66 N -0.28 7.01 -4.40 2.44 5.15 -1.26 -4.56 115.26 119.36 2djm n ASN 66 Ca -0.08 -3.33 -0.19 0.00 -0.60 0.00 0.00 54.58 50.38 2djm n ASN 66 Cb 0.63 -1.23 -0.10 0.00 -0.53 0.00 0.00 39.78 38.54 2djm n ASN 66 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2djm s TYR 67 N -2.16 1.79 0.37 1.20 1.51 -1.26 -3.29 117.35 115.52 2djm s TYR 67 Ca 0.56 -1.01 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 2djm s TYR 67 Cb 0.34 -1.12 -0.06 0.00 -0.11 0.00 0.00 41.96 41.01 2djm s TYR 67 CO -0.23 -0.09 0.05 -2.00 -1.11 0.00 0.00 175.55 172.18 2djm s GLU 68 N -3.92 1.82 -0.16 -0.62 2.12 0.20 0.07 118.70 118.21 2djm s GLU 68 Ca 0.36 -2.04 -0.04 0.00 0.36 0.00 0.00 54.97 53.60 2djm s GLU 68 Cb 0.08 -1.13 0.06 0.00 0.26 0.00 0.00 34.13 33.40 2djm s GLU 68 CO 0.14 -0.19 0.07 -0.47 -0.54 0.00 0.00 175.26 174.27 2djm s TYR 69 N -3.08 0.35 -0.13 5.30 5.04 -0.15 -2.71 117.35 121.97 2djm s TYR 69 Ca 0.32 -0.36 -0.01 0.00 -2.44 0.00 0.00 57.07 54.58 2djm s TYR 69 Cb 0.08 -0.74 -0.02 0.00 0.35 0.00 0.00 41.96 41.63 2djm s TYR 69 CO 0.15 -0.50 -0.10 -1.58 -1.34 0.00 0.00 175.55 172.18 2djm s TRP 70 N 2.09 2.87 0.04 4.97 0.52 -0.36 0.13 118.94 129.20 2djm s TRP 70 Ca 0.02 -0.52 0.09 0.00 0.02 0.00 0.00 56.10 55.71 2djm s TRP 70 Cb -0.16 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 2djm s TRP 70 CO -0.08 -0.14 -0.26 0.95 0.02 0.00 0.00 176.95 177.44 2djm s THR 71 N 0.30 2.11 0.07 2.01 -4.23 0.46 0.85 115.64 117.21 2djm s THR 71 Ca -0.08 -1.38 -0.20 0.00 -1.18 0.00 0.00 61.69 58.85 2djm s THR 71 Cb -0.15 -1.81 0.05 0.00 1.34 0.00 0.00 72.50 71.93 2djm s THR 71 CO 0.05 0.36 0.48 0.72 -0.54 0.00 0.00 174.62 175.69 2djm s PHE 72 N -0.80 -0.36 -0.02 3.99 -0.71 -0.41 -2.71 117.98 116.96 2djm s PHE 72 Ca 0.11 0.31 -0.03 0.00 -1.04 0.00 0.00 56.93 56.28 2djm s PHE 72 Cb -0.10 0.31 0.00 0.00 -1.21 0.00 0.00 43.02 42.03 2djm s PHE 72 CO 0.02 -0.65 0.08 -1.54 -1.34 0.00 0.00 175.22 171.80 2djm s SER 73 N -2.16 -0.04 -0.17 1.98 1.04 -1.26 -0.43 113.70 112.66 2djm s SER 73 Ca -0.04 0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.29 2djm s SER 73 Cb -0.00 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.34 2djm s SER 73 CO -0.04 -0.11 0.46 0.00 0.98 0.00 0.00 173.24 174.53 2djm s ALA 74 N -0.32 -1.13 -0.61 5.32 0.00 -0.46 -4.95 121.76 119.60 2djm s ALA 74 Ca -0.04 1.33 -0.21 0.00 0.00 0.00 0.00 51.96 53.04 2djm s ALA 74 Cb -0.03 -0.78 0.08 0.00 0.00 0.00 0.00 23.12 22.39 2djm s ALA 74 CO 0.00 -0.22 0.85 0.45 0.00 0.00 0.00 175.76 176.83 2djm s SER 75 N 0.39 6.20 0.45 0.00 0.15 -1.26 -0.03 113.70 119.59 2djm s SER 75 Ca -0.01 -1.05 -0.03 0.00 0.70 0.00 0.00 55.95 55.56 2djm s SER 75 Cb -0.04 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 2djm s SER 75 CO -0.01 -1.26 0.71 0.68 1.20 0.00 0.00 173.24 174.56 2djm s VAL 76 N 3.48 4.86 -0.24 4.45 -7.23 -1.24 -4.96 120.40 119.51 2djm s VAL 76 Ca 0.19 -0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.34 2djm s VAL 76 Cb -0.19 -3.82 0.35 0.00 0.56 0.00 0.00 36.38 33.28 2djm s VAL 76 CO 0.10 -0.72 1.47 0.29 -0.31 0.00 0.00 175.10 175.93 2djm n LYS 77 N -2.13 1.69 0.00 4.82 4.01 -1.26 -4.71 118.16 120.58 2djm n LYS 77 Ca -0.01 -1.56 0.00 0.00 -0.51 0.00 0.00 58.31 56.23 2djm n LYS 77 Cb 0.56 -1.62 0.00 0.00 -0.51 0.00 0.00 35.03 33.46 2djm n LYS 77 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2djm n GLY 78 N -0.34 -0.53 2.89 0.72 0.00 -1.26 -3.14 105.19 103.53 2djm n GLY 78 Ca 0.31 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 2djm n GLY 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2djm s ILE 79 N -2.49 -0.12 -0.18 -0.61 2.07 -1.26 -1.81 121.20 116.81 2djm s ILE 79 Ca 0.00 0.24 -0.06 0.00 -1.41 0.00 0.00 60.65 59.42 2djm s ILE 79 Cb 0.00 -0.25 -0.22 0.00 0.13 0.00 0.00 42.46 42.12 2djm s ILE 79 CO 0.00 0.10 0.15 0.29 -1.91 0.00 0.00 174.94 173.57 2djm n LYS 80 N 4.57 0.70 -3.78 3.50 4.76 0.16 -4.38 118.16 123.69 2djm n LYS 80 Ca -0.20 0.26 -0.07 0.00 -2.87 0.00 0.00 58.31 55.43 2djm n LYS 80 Cb 0.51 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 32.03 2djm n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2djm s GLU 81 N -2.53 1.64 0.12 1.97 -1.05 -1.16 -0.03 118.70 117.67 2djm s GLU 81 Ca -0.27 -0.87 -0.25 0.00 -0.15 0.00 0.00 54.97 53.42 2djm s GLU 81 Cb 0.08 0.59 0.08 0.00 -0.44 0.00 0.00 34.13 34.43 2djm s GLU 81 CO 0.69 -0.75 1.07 -0.59 0.95 0.00 0.00 175.26 176.63 2djm s PHE 82 N -3.83 -0.05 -0.11 4.83 -0.71 -0.89 0.92 117.98 118.14 2djm s PHE 82 Ca 0.09 -0.23 -0.31 0.00 -1.04 0.00 0.00 56.93 55.45 2djm s PHE 82 Cb -0.05 0.63 0.10 0.00 -1.21 0.00 0.00 43.02 42.50 2djm s PHE 82 CO 0.03 -0.71 0.85 1.52 -1.34 0.00 0.00 175.22 175.57 2djm s TYR 83 N -2.75 -0.50 -0.05 3.49 1.13 -0.89 -1.93 117.35 115.84 2djm s TYR 83 Ca 0.16 0.86 -0.15 0.00 -1.41 0.00 0.00 57.07 56.53 2djm s TYR 83 Cb -0.00 0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 41.24 2djm s TYR 83 CO 0.02 -0.47 0.41 0.42 -2.51 0.00 0.00 175.55 173.42 2djm s ILE 84 N -1.15 5.10 -0.51 -3.49 -1.09 -0.04 -2.76 121.20 117.26 2djm s ILE 84 Ca -0.06 0.83 -0.19 0.00 -2.23 0.00 0.00 60.65 59.00 2djm s ILE 84 Cb -0.00 -3.73 0.06 0.00 -1.58 0.00 0.00 42.46 37.21 2djm s ILE 84 CO 0.05 0.49 0.63 -0.54 -1.23 0.00 0.00 174.94 174.35 2djm s LYS 85 N -0.47 3.11 -0.63 2.79 -0.14 0.93 -1.09 119.74 124.25 2djm s LYS 85 Ca 0.23 -0.94 -0.23 0.00 -1.36 0.00 0.00 55.97 53.67 2djm s LYS 85 Cb -0.16 -4.11 0.06 0.00 -1.68 0.00 0.00 37.83 31.93 2djm s LYS 85 CO 0.11 -1.25 0.98 -0.47 -0.76 0.00 0.00 175.35 173.97 2djm s TYR 86 N 2.61 2.68 -0.18 3.18 5.04 -0.87 -2.14 117.35 127.67 2djm s TYR 86 Ca 0.14 -0.31 -0.02 0.00 -2.44 0.00 0.00 57.07 54.45 2djm s TYR 86 Cb -0.20 -4.24 -0.00 0.00 0.35 0.00 0.00 41.96 37.87 2djm s TYR 86 CO 0.11 -1.58 -0.11 -2.00 -1.34 0.00 0.00 175.55 170.64 2djm s GLU 87 N 4.17 3.29 0.32 4.97 2.12 -1.06 -0.75 118.70 131.76 2djm s GLU 87 Ca 0.26 -0.69 0.09 0.00 0.36 0.00 0.00 54.97 54.99 2djm s GLU 87 Cb -0.14 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2djm s GLU 87 CO 0.14 -0.07 0.08 0.08 -0.54 0.00 0.00 175.26 174.95 2djm s VAL 88 N 1.08 3.06 -0.92 3.70 1.01 0.64 -2.08 120.40 126.89 2djm s VAL 88 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.18 2djm s VAL 88 Cb -0.15 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2djm s VAL 88 CO -0.02 -0.23 0.33 -0.24 0.00 0.00 0.00 175.10 174.93 2djm n SER 89 N -1.05 0.71 0.00 3.32 2.88 -1.26 -3.52 113.62 114.70 2djm n SER 89 Ca -0.04 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.27 2djm n SER 89 Cb 0.61 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2djm n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djm n GLY 90 N 0.23 0.20 3.64 0.46 0.00 -1.26 -5.16 105.19 103.31 2djm n GLY 90 Ca 0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2djm n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2djm s LYS 91 N -1.09 2.04 -0.04 1.61 2.47 -1.23 -5.15 119.74 118.35 2djm s LYS 91 Ca 0.00 -1.91 -0.09 0.00 -1.56 0.00 0.00 55.97 52.42 2djm s LYS 91 Cb 0.00 -1.82 0.01 0.00 -1.46 0.00 0.00 37.83 34.56 2djm s LYS 91 CO 0.00 0.02 0.20 0.99 0.16 0.00 0.00 175.35 176.72 2djm s THR 92 N -2.61 0.04 0.00 3.43 2.01 -1.26 -0.26 115.64 116.99 2djm s THR 92 Ca 0.36 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2djm s THR 92 Cb 0.04 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.15 2djm s THR 92 CO 0.19 -0.19 0.00 -1.22 -0.69 0.00 0.00 174.62 172.71 2djm n TYR 93 N 2.10 -0.11 -3.79 4.92 4.01 0.07 -5.03 117.16 119.33 2djm n TYR 93 Ca -0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.43 2djm n TYR 93 Cb 0.57 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.48 2djm n TYR 93 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2djm s TYR 94 N -2.62 -0.25 -0.53 -0.72 2.02 -1.26 -2.05 117.35 111.95 2djm s TYR 94 Ca 0.00 0.60 -0.06 0.00 -0.37 0.00 0.00 57.07 57.24 2djm s TYR 94 Cb 0.00 0.08 0.14 0.00 -0.40 0.00 0.00 41.96 41.78 2djm s TYR 94 CO 0.00 -0.13 0.36 0.34 -1.57 0.00 0.00 175.55 174.55 2djm s ASP 95 N 0.06 5.49 -0.24 2.29 2.15 -0.25 -4.79 116.67 121.38 2djm s ASP 95 Ca -0.01 -2.31 0.21 0.00 0.43 0.00 0.00 52.55 50.88 2djm s ASP 95 Cb -0.02 -1.92 0.50 0.00 -0.30 0.00 0.00 42.92 41.18 2djm s ASP 95 CO 0.00 -0.53 1.12 -0.46 -0.17 0.00 0.00 175.17 175.13 2djm n ASN 96 N 4.29 1.91 0.00 -0.34 6.94 -1.26 -0.86 115.26 125.94 2djm n ASN 96 Ca 0.01 -2.23 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 2djm n ASN 96 Cb 0.40 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 2djm n ASN 96 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2djm n ASN 97 N -0.54 0.00 0.02 0.53 3.02 -1.26 -1.97 115.26 115.06 2djm n ASN 97 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2djm n ASN 97 Cb 0.84 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 2djm n ASN 97 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2djm n ASN 98 N 2.19 -0.30 -2.79 6.41 2.85 -1.26 -4.83 115.26 117.52 2djm n ASN 98 Ca 0.00 0.32 -0.10 0.00 -0.11 0.00 0.00 54.58 54.69 2djm n ASN 98 Cb 0.00 0.56 0.07 0.00 1.24 0.00 0.00 39.78 41.65 2djm n ASN 98 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2djm n SER 99 N -2.64 -1.86 0.00 1.20 7.64 -1.22 -5.01 113.62 111.73 2djm n SER 99 Ca 0.00 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.32 2djm n SER 99 Cb 0.00 1.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 2djm n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djm n ALA 100 N 0.31 2.92 -0.50 -0.43 0.00 -0.90 -5.16 120.51 116.75 2djm n ALA 100 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2djm n ALA 100 Cb 0.70 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2djm n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2djm n ASN 101 N -2.47 -3.17 -4.42 0.00 4.13 -0.83 -4.81 115.26 103.69 2djm n ASN 101 Ca 0.00 0.46 -0.44 0.00 1.68 0.00 0.00 54.58 56.27 2djm n ASN 101 Cb 0.05 -0.86 -0.04 0.00 -1.54 0.00 0.00 39.78 37.40 2djm n ASN 101 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2djm s TYR 102 N -3.09 2.95 -0.42 3.10 1.51 -0.81 -4.85 117.35 115.73 2djm s TYR 102 Ca 0.00 -0.96 -0.29 0.00 -1.01 0.00 0.00 57.07 54.81 2djm s TYR 102 Cb 0.00 -4.17 0.02 0.00 -0.11 0.00 0.00 41.96 37.70 2djm s TYR 102 CO 0.00 -1.45 1.30 1.14 -1.11 0.00 0.00 175.55 175.42 2djm s GLN 103 N 3.06 3.68 0.41 -0.62 0.00 -1.26 -2.11 119.66 122.82 2djm s GLN 103 Ca 0.20 0.85 -0.22 0.00 -0.00 0.00 0.00 55.36 56.19 2djm s GLN 103 Cb -0.17 -3.96 -0.11 0.00 0.00 0.00 0.00 33.01 28.78 2djm s GLN 103 CO 0.03 -1.44 0.95 0.08 0.00 0.00 0.00 175.29 174.92 2djm s VAL 104 N 4.93 4.32 -1.20 3.63 1.01 0.95 -4.92 120.40 129.12 2djm s VAL 104 Ca 0.56 1.54 -0.16 0.00 0.00 0.00 0.00 61.98 63.92 2djm s VAL 104 Cb -0.12 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.73 2djm s VAL 104 CO 0.31 -0.22 1.49 -0.44 0.00 0.00 0.00 175.10 176.23 2djm s SER 105 N -2.05 6.95 0.00 3.32 0.01 -1.26 -4.82 113.70 115.85 2djm s SER 105 Ca 0.60 -2.72 0.30 0.00 1.31 0.00 0.00 55.95 55.44 2djm s SER 105 Cb -0.11 -2.45 1.43 0.00 0.21 0.00 0.00 66.02 65.09 2djm s SER 105 CO 0.16 -0.91 1.96 0.35 0.41 0.00 0.00 173.24 175.21