#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 4.41 0.08 0.00 0.01 -1.26 -5.08 113.70 111.86 2djm s SER 2 Ca 0.00 -0.14 -0.36 0.00 1.31 0.00 0.00 55.95 56.75 2djm s SER 2 Cb 0.00 -1.01 -0.16 0.00 0.21 0.00 0.00 66.02 65.06 2djm s SER 2 CO 0.00 0.32 1.41 -0.38 0.41 0.00 0.00 173.24 175.00 2djm n ILE 3 N 1.95 0.02 -1.73 1.44 5.41 -1.26 -4.87 119.36 120.32 2djm n ILE 3 Ca -0.17 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.16 2djm n ILE 3 Cb 0.53 -0.97 -0.02 0.00 -0.71 0.00 0.00 39.64 38.46 2djm n ILE 3 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2djm n PRO 4 N 2.88 2.65 -0.05 0.38 -0.04 -1.26 -4.95 135.00 134.60 2djm n PRO 4 Ca 0.19 0.95 -0.04 0.00 -0.04 0.00 0.00 63.50 64.55 2djm n PRO 4 Cb 0.20 -2.74 -0.01 0.00 -0.04 0.00 0.00 33.50 30.91 2djm n PRO 4 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2djm n SER 5 N 2.76 1.12 -0.07 3.54 2.88 -1.26 -4.73 113.62 117.87 2djm n SER 5 Ca 0.11 0.32 -0.16 0.00 -1.33 0.00 0.00 58.87 57.82 2djm n SER 5 Cb 0.35 -0.68 -0.13 0.00 -0.75 0.00 0.00 64.21 63.01 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 -0.60 0.02 -4.12 -3.46 0.87 -2.00 -3.46 113.55 100.80 2djm h SER 6 Ca 0.00 -0.90 -0.53 0.00 -1.23 0.00 0.00 61.79 59.13 2djm h SER 6 Cb 0.47 -0.01 0.12 0.00 -0.44 0.00 0.00 62.40 62.54 2djm h SER 6 CO 0.00 1.11 0.44 0.00 -0.53 0.00 0.00 176.83 177.86 2djm s ALA 7 N -2.26 2.46 -1.37 6.23 0.00 -1.26 -4.94 121.76 120.63 2djm s ALA 7 Ca -0.21 0.93 0.24 0.00 0.00 0.00 0.00 51.96 52.92 2djm s ALA 7 Cb -0.01 -3.44 0.37 0.00 0.00 0.00 0.00 23.12 20.04 2djm s ALA 7 CO 0.68 -1.29 1.32 0.43 0.00 0.00 0.00 175.76 176.90 2djm n SER 8 N -1.87 0.96 -3.79 0.00 7.64 -1.26 -4.71 113.62 110.59 2djm n SER 8 Ca 0.13 -0.76 -0.12 0.00 1.01 0.00 0.00 58.87 59.13 2djm n SER 8 Cb 0.50 0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 64.01 2djm n SER 8 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2djm s VAL 9 N -2.78 0.07 0.02 0.44 0.11 -1.26 -0.40 120.40 116.61 2djm s VAL 9 Ca 0.15 -0.62 -0.05 0.00 -2.93 0.00 0.00 61.98 58.54 2djm s VAL 9 Cb 0.18 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2djm s VAL 9 CO 0.66 -0.34 0.07 -1.58 -3.33 0.00 0.00 175.10 170.59 2djm s GLN 10 N -1.78 0.47 0.31 1.54 0.74 0.57 -4.90 119.66 116.61 2djm s GLN 10 Ca -0.11 -0.59 -0.27 0.00 0.05 0.00 0.00 55.36 54.44 2djm s GLN 10 Cb -0.04 0.18 -0.09 0.00 1.10 0.00 0.00 33.01 34.16 2djm s GLN 10 CO 0.01 -0.11 1.01 -1.17 -0.55 0.00 0.00 175.29 174.48 2djm s LEU 11 N -1.67 4.42 -0.08 3.68 2.96 -1.26 -0.73 118.68 126.00 2djm s LEU 11 Ca -0.12 2.03 -0.06 0.00 -0.22 0.00 0.00 54.13 55.75 2djm s LEU 11 Cb -0.06 -3.86 -0.02 0.00 0.50 0.00 0.00 46.19 42.75 2djm s LEU 11 CO -0.01 -0.13 -0.13 -0.67 -1.32 0.00 0.00 176.35 174.09 2djm n ASP 12 N 0.79 1.01 -3.53 3.68 2.03 -1.14 -4.72 116.55 114.67 2djm n ASP 12 Ca 0.01 0.38 -0.10 0.00 0.52 0.00 0.00 54.79 55.59 2djm n ASP 12 Cb 0.48 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 40.16 2djm n ASP 12 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2djm s SER 13 N -4.82 -0.40 -0.02 1.67 0.01 -1.12 -5.02 113.70 103.99 2djm s SER 13 Ca -0.10 0.21 -0.26 0.00 1.31 0.00 0.00 55.95 57.11 2djm s SER 13 Cb 0.01 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.68 2djm s SER 13 CO 0.15 -0.54 0.57 -0.72 0.41 0.00 0.00 173.24 173.12 2djm s TYR 14 N -2.25 -0.52 0.14 2.43 -0.85 -1.26 -0.44 117.35 114.60 2djm s TYR 14 Ca 0.01 0.82 0.05 0.00 -0.52 0.00 0.00 57.07 57.43 2djm s TYR 14 Cb -0.01 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 2djm s TYR 14 CO -0.04 -0.57 -0.12 -0.80 -1.52 0.00 0.00 175.55 172.50 2djm s ASN 15 N -1.38 1.93 0.05 -0.18 0.01 0.19 -4.95 114.94 110.61 2djm s ASN 15 Ca -0.10 -0.92 0.01 0.00 -0.71 0.00 0.00 52.86 51.14 2djm s ASN 15 Cb -0.01 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.57 2djm s ASN 15 CO 0.06 -0.24 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.05 2djm s TYR 16 N -2.75 0.60 -0.43 2.20 2.02 -1.24 -2.12 117.35 115.62 2djm s TYR 16 Ca 0.13 -0.69 0.06 0.00 -0.37 0.00 0.00 57.07 56.20 2djm s TYR 16 Cb -0.01 -0.37 0.20 0.00 -0.40 0.00 0.00 41.96 41.38 2djm s TYR 16 CO 0.02 -0.17 0.43 -0.25 -1.57 0.00 0.00 175.55 174.02 2djm n ASP 17 N 0.95 0.14 0.00 2.29 8.00 -1.17 -4.89 116.55 121.87 2djm n ASP 17 Ca -0.19 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.72 2djm n ASP 17 Cb 0.57 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 2djm n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2djm n GLY 18 N 2.17 1.71 2.62 0.44 0.00 -1.26 -3.60 105.19 107.26 2djm n GLY 18 Ca 0.26 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 3.17 -0.12 1.61 0.01 -1.26 -4.90 113.70 108.21 2djm s SER 19 Ca 0.00 -2.85 -0.05 0.00 1.31 0.00 0.00 55.95 54.36 2djm s SER 19 Cb 0.00 -0.87 0.05 0.00 0.21 0.00 0.00 66.02 65.41 2djm s SER 19 CO 0.00 -0.22 0.26 -0.89 0.41 0.00 0.00 173.24 172.79 2djm s THR 20 N 0.12 -0.19 -0.14 1.44 2.01 -1.24 -4.13 115.64 113.52 2djm s THR 20 Ca 0.23 0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 2djm s THR 20 Cb -0.14 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 2djm s THR 20 CO -0.07 0.08 -0.00 0.12 -0.69 0.00 0.00 174.62 174.06 2djm s PHE 21 N 1.73 3.12 -0.01 4.92 2.19 0.13 -3.04 117.98 127.01 2djm s PHE 21 Ca -0.05 -0.05 -0.21 0.00 0.33 0.00 0.00 56.93 56.96 2djm s PHE 21 Cb -0.11 -1.92 0.04 0.00 -1.31 0.00 0.00 43.02 39.72 2djm s PHE 21 CO -0.09 0.18 0.45 -1.54 1.83 0.00 0.00 175.22 176.05 2djm s SER 22 N -0.08 -0.36 0.00 6.13 1.04 -0.90 0.81 113.70 120.34 2djm s SER 22 Ca 0.03 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2djm s SER 22 Cb -0.13 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2djm s SER 22 CO 0.02 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2djm n GLY 23 N 0.96 -0.43 3.73 7.32 0.00 -1.14 0.55 105.19 116.18 2djm n GLY 23 Ca -0.20 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 1.18 0.16 1.61 0.00 0.41 0.75 119.74 121.85 2djm s LYS 24 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 55.97 55.38 2djm s LYS 24 Cb 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 37.83 38.20 2djm s LYS 24 CO 0.00 -0.54 -0.09 0.42 0.00 0.00 0.00 175.35 175.14 2djm s ILE 25 N -3.30 1.14 -0.33 3.79 1.01 0.23 -2.80 121.20 120.95 2djm s ILE 25 Ca 0.11 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.71 2djm s ILE 25 Cb -0.01 -1.91 0.11 0.00 0.01 0.00 0.00 42.46 40.65 2djm s ILE 25 CO 0.01 -0.69 0.11 -0.47 0.00 0.00 0.00 174.94 173.90 2djm s TYR 26 N -3.35 1.93 0.23 3.97 6.14 0.09 -2.63 117.35 123.74 2djm s TYR 26 Ca 0.18 -1.95 0.11 0.00 0.64 0.00 0.00 57.07 56.05 2djm s TYR 26 Cb 0.03 -1.85 -0.05 0.00 0.42 0.00 0.00 41.96 40.52 2djm s TYR 26 CO 0.02 -0.87 -0.18 0.14 0.64 0.00 0.00 175.55 175.29 2djm s VAL 27 N 1.38 2.62 0.01 3.14 -7.23 -1.09 -0.31 120.40 118.90 2djm s VAL 27 Ca 0.11 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.07 2djm s VAL 27 Cb -0.18 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 2djm s VAL 27 CO -0.20 -0.23 0.36 -0.75 -0.31 0.00 0.00 175.10 173.97 2djm s LYS 28 N -3.06 3.79 -0.62 4.82 2.20 0.47 0.12 119.74 127.45 2djm s LYS 28 Ca 0.25 0.24 -0.22 0.00 -0.36 0.00 0.00 55.97 55.89 2djm s LYS 28 Cb -0.07 -3.15 0.07 0.00 -1.51 0.00 0.00 37.83 33.18 2djm s LYS 28 CO 0.13 0.67 0.88 -0.80 -0.36 0.00 0.00 175.35 175.87 2djm s ASN 29 N -1.30 6.20 -0.05 1.43 0.01 -0.56 -4.81 114.94 115.86 2djm s ASN 29 Ca 0.25 -1.01 0.03 0.00 -0.71 0.00 0.00 52.86 51.42 2djm s ASN 29 Cb -0.15 -2.39 -0.25 0.00 0.41 0.00 0.00 41.25 38.87 2djm s ASN 29 CO 0.14 -1.31 0.63 0.40 -1.51 0.00 0.00 177.10 175.44 2djm h ILE 30 N 5.96 0.86 -4.63 0.60 5.03 -1.93 -3.49 117.51 119.92 2djm h ILE 30 Ca -0.29 -2.63 -0.44 0.00 -0.12 0.00 0.00 64.86 61.39 2djm h ILE 30 Cb 1.08 2.53 -0.12 0.00 -3.03 0.00 0.00 36.82 37.28 2djm h ILE 30 CO 1.14 0.71 -0.43 0.00 -0.68 0.00 0.00 178.15 178.89 2djm n ALA 31 N -2.72 0.66 0.22 1.87 0.00 -1.26 -5.08 120.51 114.21 2djm n ALA 31 Ca -0.21 -1.79 0.05 0.00 0.00 0.00 0.00 53.44 51.49 2djm n ALA 31 Cb 1.05 1.45 -0.07 0.00 0.00 0.00 0.00 19.45 21.87 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 -0.58 0.00 -3.33 0.00 9.36 -1.26 -4.73 117.16 116.62 2djm n TYR 32 Ca 0.07 0.00 -0.46 0.00 3.32 0.00 0.00 57.90 60.83 2djm n TYR 32 Cb 0.56 -0.14 -0.01 0.00 -0.63 0.00 0.00 39.34 39.11 2djm n TYR 32 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2djm s SER 33 N -2.71 7.02 0.16 2.98 0.01 -1.26 -5.03 113.70 114.87 2djm s SER 33 Ca -0.00 -3.11 0.07 0.00 1.31 0.00 0.00 55.95 54.21 2djm s SER 33 Cb 0.08 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2djm s SER 33 CO 0.45 -0.44 0.00 -0.54 0.41 0.00 0.00 173.24 173.12 2djm s LYS 34 N -0.49 2.44 -0.06 12.44 1.02 -1.26 -1.65 119.74 132.17 2djm s LYS 34 Ca 0.24 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 55.20 2djm s LYS 34 Cb -0.10 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 2djm s LYS 34 CO -0.09 0.47 -0.09 -1.59 -0.92 0.00 0.00 175.35 173.14 2djm s LYS 35 N -2.80 1.37 -0.22 1.68 -2.85 0.61 -5.00 119.74 112.54 2djm s LYS 35 Ca 0.27 -0.29 0.02 0.00 -1.00 0.00 0.00 55.97 54.96 2djm s LYS 35 Cb -0.10 -1.20 0.04 0.00 -2.06 0.00 0.00 37.83 34.51 2djm s LYS 35 CO 0.18 -0.02 -0.15 0.08 0.10 0.00 0.00 175.35 175.54 2djm s VAL 36 N 0.79 2.18 -0.16 1.79 1.01 -1.26 -2.27 120.40 122.48 2djm s VAL 36 Ca -0.13 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 2djm s VAL 36 Cb -0.15 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.20 2djm s VAL 36 CO 0.02 0.29 -0.01 0.42 0.00 0.00 0.00 175.10 175.82 2djm s THR 37 N 1.22 0.80 -0.10 3.92 -4.23 -1.08 -0.61 115.64 115.56 2djm s THR 37 Ca -0.01 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.70 2djm s THR 37 Cb -0.16 -1.09 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 2djm s THR 37 CO -0.09 0.02 1.02 -0.69 -0.54 0.00 0.00 174.62 174.34 2djm s VAL 38 N 1.76 4.74 -0.16 2.29 1.01 0.42 -1.52 120.40 128.94 2djm s VAL 38 Ca 0.01 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.01 2djm s VAL 38 Cb -0.16 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2djm s VAL 38 CO -0.07 0.00 -0.18 0.68 0.00 0.00 0.00 175.10 175.54 2djm s VAL 39 N 2.02 1.84 0.08 2.92 -7.23 -1.09 0.10 120.40 119.03 2djm s VAL 39 Ca 0.49 -0.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.93 2djm s VAL 39 Cb -0.19 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 2djm s VAL 39 CO 0.18 0.50 -0.20 -0.72 -0.31 0.00 0.00 175.10 174.56 2djm s TYR 40 N 1.29 1.69 -0.71 2.82 -0.85 -1.11 -1.46 117.35 119.02 2djm s TYR 40 Ca 0.03 -0.40 -0.26 0.00 -0.52 0.00 0.00 57.07 55.91 2djm s TYR 40 Cb -0.13 -0.95 -0.01 0.00 0.38 0.00 0.00 41.96 41.24 2djm s TYR 40 CO -0.10 0.15 1.75 0.00 -1.52 0.00 0.00 175.55 175.82 2djm s ALA 41 N -1.05 2.21 0.87 9.51 0.00 0.49 -4.70 121.76 129.08 2djm s ALA 41 Ca 0.05 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 2djm s ALA 41 Cb -0.09 -4.36 0.15 0.00 0.00 0.00 0.00 23.12 18.82 2djm s ALA 41 CO 0.03 -3.95 0.33 -0.40 0.00 0.00 0.00 175.76 171.78 2djm n ASP 42 N 12.17 -2.69 0.29 0.00 5.75 -1.26 0.59 116.55 131.40 2djm n ASP 42 Ca 0.22 -0.34 0.18 0.00 -0.01 0.00 0.00 54.79 54.84 2djm n ASP 42 Cb 0.50 -0.62 0.99 0.00 -1.03 0.00 0.00 41.12 40.97 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 -2.41 0.00 1.41 6.12 0.00 -1.80 0.19 103.07 106.58 2djm h GLY 43 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2djm h GLY 43 CO 0.09 0.00 -0.47 0.23 0.00 0.00 0.00 176.54 176.39 2djm h SER 44 N 0.00 0.00 -1.79 0.19 0.87 -1.92 -3.48 113.55 107.43 2djm h SER 44 Ca 0.02 -0.13 -0.24 0.00 -1.23 0.00 0.00 61.79 60.21 2djm h SER 44 Cb 0.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2djm h SER 44 CO -0.00 0.06 -0.31 0.47 -0.53 0.00 0.00 176.83 176.52 2djm n ASP 45 N -2.28 -3.89 -4.21 6.23 9.92 0.66 -4.97 116.55 118.01 2djm n ASP 45 Ca 0.04 -0.02 -0.41 0.00 -0.53 0.00 0.00 54.79 53.87 2djm n ASP 45 Cb 0.46 -3.08 -0.08 0.00 -0.64 0.00 0.00 41.12 37.77 2djm n ASP 45 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2djm s ASN 46 N -2.47 5.74 -0.43 -2.24 3.84 -1.26 -4.90 114.94 113.22 2djm s ASN 46 Ca 0.01 -2.00 -0.21 0.00 0.21 0.00 0.00 52.86 50.87 2djm s ASN 46 Cb -0.00 -2.02 0.02 0.00 -0.55 0.00 0.00 41.25 38.70 2djm s ASN 46 CO 0.01 -0.68 0.67 0.26 -2.79 0.00 0.00 177.10 174.58 2djm s TRP 47 N 1.24 3.06 0.00 0.43 0.52 -1.26 -4.59 118.94 118.34 2djm s TRP 47 Ca 0.07 0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.24 2djm s TRP 47 Cb -0.25 -3.39 0.00 0.00 -1.15 0.00 0.00 33.47 28.67 2djm s TRP 47 CO -0.01 -0.86 0.00 -1.71 0.02 0.00 0.00 176.95 174.38 2djm n ASN 48 N 6.34 0.00 -0.18 2.95 2.85 -1.26 -4.78 115.26 121.17 2djm n ASN 48 Ca -0.01 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.44 2djm n ASN 48 Cb 0.48 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.58 2djm n ASN 48 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 2djm h ASN 49 N 0.00 0.27 0.00 1.20 -0.73 -2.03 -3.43 115.58 110.86 2djm h ASN 49 Ca 0.00 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.23 2djm h ASN 49 Cb 0.00 0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.61 2djm h ASN 49 CO 0.00 0.18 -0.01 0.59 -0.37 0.00 0.00 177.43 177.82 2djm n ASN 50 N -4.95 -0.06 0.00 1.15 5.03 -1.26 -5.05 115.26 110.11 2djm n ASN 50 Ca 0.07 0.43 0.00 0.00 0.87 0.00 0.00 54.58 55.95 2djm n ASN 50 Cb 0.21 0.32 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 2djm n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2djm n GLY 51 N 1.69 1.66 2.97 7.41 0.00 -1.26 -4.34 105.19 113.31 2djm n GLY 51 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2djm n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djm s ASN 52 N 0.00 4.30 0.00 1.61 6.03 -1.26 -4.97 114.94 120.65 2djm s ASN 52 Ca 0.00 -1.60 0.01 0.00 -1.03 0.00 0.00 52.86 50.24 2djm s ASN 52 Cb 0.00 -1.37 -0.01 0.00 -3.03 0.00 0.00 41.25 36.85 2djm s ASN 52 CO 0.00 -0.29 -0.03 -0.51 -2.03 0.00 0.00 177.10 174.24 2djm s ILE 53 N 1.20 0.18 -0.22 0.54 -1.16 -1.26 -2.74 121.20 117.75 2djm s ILE 53 Ca 0.01 -0.24 -0.02 0.00 -0.51 0.00 0.00 60.65 59.89 2djm s ILE 53 Cb -0.19 -0.19 0.01 0.00 0.61 0.00 0.00 42.46 42.70 2djm s ILE 53 CO -0.09 -0.04 -0.10 -0.51 -2.81 0.00 0.00 174.94 171.40 2djm s ILE 54 N -0.29 2.82 0.16 2.00 1.10 0.11 -4.96 121.20 122.15 2djm s ILE 54 Ca -0.02 -0.81 -0.30 0.00 -0.51 0.00 0.00 60.65 59.02 2djm s ILE 54 Cb -0.02 -2.31 -0.07 0.00 0.15 0.00 0.00 42.46 40.21 2djm s ILE 54 CO -0.00 0.38 1.01 0.00 -2.11 0.00 0.00 174.94 174.22 2djm s ALA 55 N 1.37 3.31 0.47 1.50 0.00 -1.26 -0.44 121.76 126.71 2djm s ALA 55 Ca 0.04 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 2djm s ALA 55 Cb -0.15 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 2djm s ALA 55 CO -0.07 -0.05 0.99 0.00 0.00 0.00 0.00 175.76 176.63 2djm s ALA 56 N -0.33 2.97 -0.15 0.00 0.00 0.22 -4.93 121.76 119.54 2djm s ALA 56 Ca 0.47 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 2djm s ALA 56 Cb -0.26 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2djm s ALA 56 CO 0.32 -0.12 -0.02 0.45 0.00 0.00 0.00 175.76 176.39 2djm s SER 57 N -2.28 4.97 0.26 0.00 0.15 -1.03 -4.84 113.70 110.92 2djm s SER 57 Ca 0.63 -0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.93 2djm s SER 57 Cb -0.12 -1.75 -0.09 0.00 -1.71 0.00 0.00 66.02 62.35 2djm s SER 57 CO 0.19 0.20 1.22 -0.36 1.20 0.00 0.00 173.24 175.70 2djm s PHE 58 N 0.17 3.33 -0.18 3.44 0.40 -1.26 0.22 117.98 124.09 2djm s PHE 58 Ca -0.00 1.47 -0.02 0.00 -0.60 0.00 0.00 56.93 57.77 2djm s PHE 58 Cb -0.13 -3.49 -0.10 0.00 0.51 0.00 0.00 43.02 39.80 2djm s PHE 58 CO 0.02 -1.33 -0.18 0.45 0.70 0.00 0.00 175.22 174.89 2djm n SER 59 N 1.62 2.22 0.00 1.36 2.88 0.10 -4.74 113.62 117.06 2djm n SER 59 Ca 0.02 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2djm n SER 59 Cb 0.43 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2djm n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djm n GLY 60 N 2.40 3.38 3.75 0.46 0.00 -0.90 -4.98 105.19 109.30 2djm n GLY 60 Ca -0.33 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.31 4.12 -0.36 1.61 0.02 -1.26 -0.84 135.00 135.98 2djm s PRO 61 Ca 0.00 2.58 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 2djm s PRO 61 Cb 0.00 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.49 2djm s PRO 61 CO 0.00 -0.62 1.80 0.42 -0.33 0.00 0.00 177.00 178.26 2djm s ILE 62 N -0.13 3.47 -0.20 2.83 1.01 0.15 -4.84 121.20 123.50 2djm s ILE 62 Ca 0.62 0.47 -0.36 0.00 0.00 0.00 0.00 60.65 61.38 2djm s ILE 62 Cb -0.48 -3.68 -0.13 0.00 0.01 0.00 0.00 42.46 38.19 2djm s ILE 62 CO 0.50 -0.46 1.92 -1.20 0.00 0.00 0.00 174.94 175.69 2djm n SER 63 N 10.51 2.90 0.00 3.58 7.64 -1.26 -1.05 113.62 135.94 2djm n SER 63 Ca 0.23 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2djm n SER 63 Cb 0.47 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2djm n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djm n GLY 64 N 4.81 0.70 3.43 0.23 0.00 -1.26 -5.07 105.19 108.03 2djm n GLY 64 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.45 0.10 -0.19 1.61 0.01 -0.21 -5.03 113.70 107.54 2djm s SER 65 Ca 0.00 -1.16 0.11 0.00 1.31 0.00 0.00 55.95 56.22 2djm s SER 65 Cb 0.00 0.51 0.67 0.00 0.21 0.00 0.00 66.02 67.41 2djm s SER 65 CO 0.00 -1.04 1.51 -3.20 0.41 0.00 0.00 173.24 170.93 2djm n ASN 66 N -0.43 4.83 -4.95 2.44 5.15 -1.26 -4.49 115.26 116.54 2djm n ASN 66 Ca 0.00 -2.74 -0.24 0.00 -0.60 0.00 0.00 54.58 51.00 2djm n ASN 66 Cb 0.63 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.21 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 -2.41 3.46 0.33 1.20 2.02 -1.26 -1.50 117.35 119.18 2djm s TYR 67 Ca 0.44 0.05 0.05 0.00 -0.37 0.00 0.00 57.07 57.24 2djm s TYR 67 Cb 0.34 -1.62 -0.07 0.00 -0.40 0.00 0.00 41.96 40.21 2djm s TYR 67 CO 0.13 0.48 0.02 -2.00 -1.57 0.00 0.00 175.55 172.61 2djm s GLU 68 N -3.57 1.68 -0.08 -0.62 2.12 0.12 0.35 118.70 118.70 2djm s GLU 68 Ca 0.34 -1.92 0.01 0.00 0.36 0.00 0.00 54.97 53.76 2djm s GLU 68 Cb -0.10 -1.08 0.02 0.00 0.26 0.00 0.00 34.13 33.23 2djm s GLU 68 CO 0.29 -0.10 -0.09 -0.47 -0.54 0.00 0.00 175.26 174.34 2djm s TYR 69 N -3.12 1.33 -0.09 5.30 5.04 -0.02 -2.69 117.35 123.11 2djm s TYR 69 Ca 0.34 -0.55 0.02 0.00 -2.44 0.00 0.00 57.07 54.44 2djm s TYR 69 Cb 0.08 -1.06 0.02 0.00 0.35 0.00 0.00 41.96 41.34 2djm s TYR 69 CO 0.15 -0.36 -0.12 -1.58 -1.34 0.00 0.00 175.55 172.30 2djm s TRP 70 N 1.15 1.65 0.14 4.97 0.52 -1.08 0.03 118.94 126.32 2djm s TRP 70 Ca -0.06 -0.72 0.06 0.00 0.02 0.00 0.00 56.10 55.41 2djm s TRP 70 Cb -0.14 -1.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 2djm s TRP 70 CO -0.02 -0.39 -0.02 0.95 0.02 0.00 0.00 176.95 177.49 2djm s THR 71 N 0.98 3.76 0.11 2.01 -4.23 0.13 0.76 115.64 119.17 2djm s THR 71 Ca -0.08 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 2djm s THR 71 Cb -0.15 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 2djm s THR 71 CO -0.00 -0.00 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.56 2djm s PHE 72 N -1.51 1.46 -0.30 3.99 0.08 0.23 -2.47 117.98 119.47 2djm s PHE 72 Ca 0.26 -0.50 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 2djm s PHE 72 Cb -0.10 -0.78 0.13 0.00 -0.57 0.00 0.00 43.02 41.70 2djm s PHE 72 CO 0.18 0.15 0.76 -1.12 -0.10 0.00 0.00 175.22 175.09 2djm s SER 73 N -2.22 -0.94 -0.14 1.36 0.01 -1.26 -2.90 113.70 107.62 2djm s SER 73 Ca 0.07 1.32 -0.08 0.00 1.31 0.00 0.00 55.95 58.56 2djm s SER 73 Cb -0.07 1.96 0.05 0.00 0.21 0.00 0.00 66.02 68.17 2djm s SER 73 CO 0.03 -0.19 0.33 0.00 0.41 0.00 0.00 173.24 173.83 2djm s ALA 74 N 2.53 -0.82 -0.58 1.44 0.00 0.24 -4.97 121.76 119.61 2djm s ALA 74 Ca -0.06 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 2djm s ALA 74 Cb -0.09 -0.73 0.13 0.00 0.00 0.00 0.00 23.12 22.43 2djm s ALA 74 CO -0.18 -0.21 0.58 0.45 0.00 0.00 0.00 175.76 176.39 2djm s SER 75 N 1.04 6.23 0.14 0.00 0.15 -1.26 0.17 113.70 120.17 2djm s SER 75 Ca -0.07 -1.76 -0.15 0.00 0.70 0.00 0.00 55.95 54.66 2djm s SER 75 Cb -0.08 -2.24 -0.07 0.00 -1.71 0.00 0.00 66.02 61.93 2djm s SER 75 CO -0.08 -0.91 0.56 0.68 1.20 0.00 0.00 173.24 174.70 2djm s VAL 76 N 1.79 4.82 -0.23 4.45 -7.23 -1.26 -4.96 120.40 117.79 2djm s VAL 76 Ca 0.06 0.91 0.01 0.00 -1.81 0.00 0.00 61.98 61.15 2djm s VAL 76 Cb -0.27 -3.76 0.28 0.00 0.56 0.00 0.00 36.38 33.19 2djm s VAL 76 CO 0.03 0.27 1.57 2.29 -0.31 0.00 0.00 175.10 178.95 2djm n LYS 77 N 0.90 1.62 0.00 4.82 2.85 -1.26 -4.68 118.16 122.41 2djm n LYS 77 Ca -0.06 -1.41 0.00 0.00 -1.05 0.00 0.00 58.31 55.79 2djm n LYS 77 Cb 0.52 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 2djm n LYS 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2djm n GLY 78 N -0.10 2.05 3.37 2.58 0.00 -1.26 -4.58 105.19 107.26 2djm n GLY 78 Ca 0.28 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.23 0.01 -0.18 -0.61 2.07 -1.26 -3.28 121.20 116.72 2djm s ILE 79 Ca 0.00 -0.12 -0.12 0.00 -1.41 0.00 0.00 60.65 59.00 2djm s ILE 79 Cb 0.00 -0.72 -0.08 0.00 0.13 0.00 0.00 42.46 41.79 2djm s ILE 79 CO 0.00 -0.07 -0.27 0.29 -1.91 0.00 0.00 174.94 172.98 2djm n LYS 80 N 2.12 0.44 -3.59 3.50 4.76 0.20 -4.81 118.16 120.77 2djm n LYS 80 Ca -0.16 0.19 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 2djm n LYS 80 Cb 0.56 -1.24 -0.03 0.00 -1.84 0.00 0.00 35.03 32.48 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 -2.50 1.24 0.19 1.97 -1.05 -1.15 -2.81 118.70 114.59 2djm s GLU 81 Ca -0.27 -0.67 -0.06 0.00 -0.15 0.00 0.00 54.97 53.82 2djm s GLU 81 Cb 0.09 0.53 -0.02 0.00 -0.44 0.00 0.00 34.13 34.28 2djm s GLU 81 CO 0.36 -0.52 0.25 -0.59 0.95 0.00 0.00 175.26 175.71 2djm s PHE 82 N -3.80 0.70 0.10 4.83 -0.12 -1.09 0.18 117.98 118.77 2djm s PHE 82 Ca 0.04 -1.02 -0.15 0.00 -0.05 0.00 0.00 56.93 55.75 2djm s PHE 82 Cb -0.00 -0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.20 2djm s PHE 82 CO -0.10 -0.74 0.36 1.52 -0.05 0.00 0.00 175.22 176.22 2djm s TYR 83 N -4.05 -0.16 -0.01 3.49 1.13 -0.54 0.69 117.35 117.90 2djm s TYR 83 Ca 0.27 -0.10 -0.02 0.00 -1.41 0.00 0.00 57.07 55.80 2djm s TYR 83 Cb 0.04 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 41.05 2djm s TYR 83 CO 0.06 -0.63 0.15 0.42 -2.51 0.00 0.00 175.55 173.05 2djm s ILE 84 N -3.42 5.26 -0.41 -3.49 -1.09 0.47 -2.68 121.20 115.85 2djm s ILE 84 Ca 0.01 -0.20 -0.12 0.00 -2.23 0.00 0.00 60.65 58.10 2djm s ILE 84 Cb 0.01 -3.44 0.04 0.00 -1.58 0.00 0.00 42.46 37.50 2djm s ILE 84 CO -0.09 0.35 0.27 -0.54 -1.23 0.00 0.00 174.94 173.70 2djm s LYS 85 N -1.83 2.85 -0.55 2.79 -0.14 -0.57 -2.43 119.74 119.85 2djm s LYS 85 Ca 0.25 -1.18 -0.16 0.00 -1.36 0.00 0.00 55.97 53.52 2djm s LYS 85 Cb -0.12 -3.87 0.13 0.00 -1.68 0.00 0.00 37.83 32.28 2djm s LYS 85 CO 0.17 -0.81 0.53 -0.47 -0.76 0.00 0.00 175.35 174.01 2djm s TYR 86 N 1.58 3.23 -0.11 3.18 5.04 -1.08 -2.64 117.35 126.55 2djm s TYR 86 Ca 0.03 -1.27 0.02 0.00 -2.44 0.00 0.00 57.07 53.41 2djm s TYR 86 Cb -0.21 -3.83 -0.01 0.00 0.35 0.00 0.00 41.96 38.27 2djm s TYR 86 CO 0.07 -1.05 -0.18 -2.00 -1.34 0.00 0.00 175.55 171.05 2djm s GLU 87 N 1.70 3.15 0.34 4.97 2.12 -0.96 0.15 118.70 130.17 2djm s GLU 87 Ca 0.04 -0.77 0.09 0.00 0.36 0.00 0.00 54.97 54.69 2djm s GLU 87 Cb -0.29 -2.47 -0.06 0.00 0.26 0.00 0.00 34.13 31.57 2djm s GLU 87 CO 0.03 0.24 -0.07 0.08 -0.54 0.00 0.00 175.26 175.00 2djm s VAL 88 N 0.24 2.07 0.38 3.70 1.01 0.16 -0.28 120.40 127.68 2djm s VAL 88 Ca -0.12 -2.16 0.19 0.00 0.00 0.00 0.00 61.98 59.89 2djm s VAL 88 Cb -0.16 -2.65 0.39 0.00 0.00 0.00 0.00 36.38 33.96 2djm s VAL 88 CO 0.06 -0.19 1.72 0.77 0.00 0.00 0.00 175.10 177.46 2djm h SER 89 N 2.05 0.46 0.00 3.32 4.64 -1.71 -3.15 113.55 119.16 2djm h SER 89 Ca -0.42 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2djm h SER 89 Cb 1.25 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2djm h SER 89 CO 0.71 0.01 -0.55 0.61 -0.87 0.00 0.00 176.83 176.73 2djm n GLY 90 N -1.43 0.17 3.61 -0.77 0.00 -1.26 -5.10 105.19 100.41 2djm n GLY 90 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.21 1.96 -0.05 1.61 2.47 -1.19 -5.15 119.74 118.18 2djm s LYS 91 Ca 0.00 -1.94 -0.12 0.00 -1.56 0.00 0.00 55.97 52.34 2djm s LYS 91 Cb 0.00 -1.76 0.02 0.00 -1.46 0.00 0.00 37.83 34.63 2djm s LYS 91 CO 0.00 0.05 0.30 0.99 0.16 0.00 0.00 175.35 176.85 2djm s THR 92 N -2.62 0.04 0.30 3.43 2.01 -1.26 0.39 115.64 117.92 2djm s THR 92 Ca 0.35 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.10 2djm s THR 92 Cb 0.05 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 2djm s THR 92 CO 0.18 -0.17 0.18 -1.22 -0.69 0.00 0.00 174.62 172.91 2djm n TYR 93 N 1.96 -0.34 -3.69 4.92 4.01 0.12 -5.00 117.16 119.14 2djm n TYR 93 Ca -0.18 -2.22 -0.11 0.00 -0.16 0.00 0.00 57.90 55.23 2djm n TYR 93 Cb 0.57 0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 39.62 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 -2.98 -0.58 0.02 -0.72 2.02 -1.26 -2.63 117.35 111.22 2djm s TYR 94 Ca 0.26 1.23 0.04 0.00 -0.37 0.00 0.00 57.07 58.23 2djm s TYR 94 Cb 0.01 0.21 -0.02 0.00 -0.40 0.00 0.00 41.96 41.77 2djm s TYR 94 CO 0.18 -0.36 -0.12 0.34 -1.57 0.00 0.00 175.55 174.03 2djm s ASP 95 N 1.73 1.43 -0.00 2.29 2.15 -1.02 -4.99 116.67 118.25 2djm s ASP 95 Ca -0.07 -0.36 0.01 0.00 0.43 0.00 0.00 52.55 52.56 2djm s ASP 95 Cb -0.10 -0.11 0.01 0.00 -0.30 0.00 0.00 42.92 42.43 2djm s ASP 95 CO -0.12 0.05 0.83 -0.46 -0.17 0.00 0.00 175.17 175.30 2djm n ASN 96 N 2.21 1.28 0.00 -0.34 6.94 -1.26 -0.39 115.26 123.70 2djm n ASN 96 Ca -0.17 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 2djm n ASN 96 Cb 0.55 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 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 -0.35 0.00 0.00 0.53 3.02 -1.26 -2.93 115.26 114.27 2djm n ASN 97 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2djm n ASN 97 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 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 1.09 0.00 -0.48 6.41 5.15 -1.26 -4.91 115.26 121.26 2djm n ASN 98 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2djm n ASN 98 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2djm n ASN 98 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2djm n SER 99 N 0.00 0.05 0.01 1.20 7.64 -1.26 -4.81 113.62 116.45 2djm n SER 99 Ca 0.00 -2.00 -0.17 0.00 1.01 0.00 0.00 58.87 57.71 2djm n SER 99 Cb 0.00 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 62.86 2djm n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djm h ALA 100 N 0.00 0.52 -1.27 -0.43 0.00 -1.91 -3.46 119.26 112.71 2djm h ALA 100 Ca 0.00 -1.38 -0.47 0.00 0.00 0.00 0.00 54.91 53.06 2djm h ALA 100 Cb 1.38 0.58 0.09 0.00 0.00 0.00 0.00 17.79 19.84 2djm h ALA 100 CO 0.00 1.38 0.12 -0.80 0.00 0.00 0.00 179.25 179.95 2djm s ASN 101 N -6.73 4.21 1.35 0.00 0.02 -1.15 -4.83 114.94 107.81 2djm s ASN 101 Ca -0.15 -0.41 0.00 0.00 -1.02 0.00 0.00 52.86 51.28 2djm s ASN 101 Cb 0.07 0.10 0.00 0.00 0.02 0.00 0.00 41.25 41.44 2djm s ASN 101 CO 0.80 -1.97 0.00 -1.22 0.02 0.00 0.00 177.10 174.73 2djm n TYR 102 N -2.91 0.00 -1.52 2.20 4.02 0.22 -4.82 117.16 114.35 2djm n TYR 102 Ca 0.16 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.61 2djm n TYR 102 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.87 2djm n TYR 102 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2djm n GLN 103 N 1.88 1.27 -2.62 -0.72 0.00 -1.26 -2.68 117.38 113.25 2djm n GLN 103 Ca 0.00 0.27 -0.43 0.00 0.00 0.00 0.00 57.00 56.84 2djm n GLN 103 Cb 0.00 -2.89 -0.02 0.00 0.00 0.00 0.00 30.24 27.33 2djm n GLN 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2djm s VAL 104 N 9.01 4.39 -0.53 -0.39 1.01 -1.12 -4.99 120.40 127.78 2djm s VAL 104 Ca 1.06 1.54 -0.20 0.00 0.00 0.00 0.00 61.98 64.38 2djm s VAL 104 Cb -0.55 -4.48 0.06 0.00 0.00 0.00 0.00 36.38 31.40 2djm s VAL 104 CO 0.39 -0.68 0.73 -0.44 0.00 0.00 0.00 175.10 175.10 2djm s SER 105 N 1.97 6.24 0.00 3.32 0.01 -1.26 -5.02 113.70 118.96 2djm s SER 105 Ca 0.47 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2djm s SER 105 Cb -0.10 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2djm s SER 105 CO 0.22 -1.03 0.00 1.07 0.41 0.00 0.00 173.24 173.91