#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 6.95 -0.07 0.00 0.01 -1.26 -4.94 113.70 114.39 2djm s SER 2 Ca 0.00 -2.71 0.05 0.00 1.31 0.00 0.00 55.95 54.59 2djm s SER 2 Cb 0.00 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 2djm s SER 2 CO 0.00 -0.89 -0.20 -0.63 0.41 0.00 0.00 173.24 171.92 2djm s ILE 3 N 2.31 2.47 0.84 1.44 1.01 -1.26 -4.60 121.20 123.41 2djm s ILE 3 Ca 0.43 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 2djm s ILE 3 Cb -0.02 -1.94 0.07 0.00 0.01 0.00 0.00 42.46 40.58 2djm s ILE 3 CO -0.00 0.57 0.98 -0.81 0.00 0.00 0.00 174.94 175.67 2djm n PRO 4 N 2.87 0.01 -1.25 2.79 -0.04 -1.26 -4.88 135.00 133.25 2djm n PRO 4 Ca -0.17 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.16 2djm n PRO 4 Cb 0.52 -2.25 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 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 -2.72 5.92 -3.59 3.54 2.88 -1.26 -4.88 113.62 113.51 2djm n SER 5 Ca 0.12 -2.88 -0.14 0.00 -1.33 0.00 0.00 58.87 54.64 2djm n SER 5 Cb 0.51 -1.31 0.01 0.00 -0.75 0.00 0.00 64.21 62.67 2djm n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2djm n SER 6 N 1.58 1.86 -1.17 -3.46 2.88 -1.26 -5.15 113.62 108.90 2djm n SER 6 Ca 0.45 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.97 2djm n SER 6 Cb 0.71 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 2djm n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2djm n ALA 7 N -2.40 0.00 0.25 -1.46 0.00 -1.26 -4.93 120.51 110.71 2djm n ALA 7 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.42 2djm n ALA 7 Cb 0.35 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.42 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 0.00 -4.88 0.00 0.02 -1.97 -3.44 113.55 103.28 2djm h SER 8 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2djm h SER 8 Cb 0.00 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.34 2djm h SER 8 CO 0.00 0.05 -0.25 0.54 -1.14 0.00 0.00 176.83 176.03 2djm s VAL 9 N -4.90 0.05 0.04 2.27 0.11 -1.26 -0.58 120.40 116.13 2djm s VAL 9 Ca -0.05 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 2djm s VAL 9 Cb 0.16 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 2djm s VAL 9 CO 0.67 -0.22 -0.04 -1.58 -3.33 0.00 0.00 175.10 170.59 2djm s GLN 10 N -1.18 0.52 0.20 1.54 0.74 0.15 -4.68 119.66 116.95 2djm s GLN 10 Ca -0.12 -0.94 -0.21 0.00 0.05 0.00 0.00 55.36 54.14 2djm s GLN 10 Cb -0.05 0.03 -0.08 0.00 1.10 0.00 0.00 33.01 34.02 2djm s GLN 10 CO 0.04 -0.05 0.73 -1.17 -0.55 0.00 0.00 175.29 174.29 2djm s LEU 11 N -2.19 4.42 -0.06 3.68 2.96 -1.26 -0.12 118.68 126.10 2djm s LEU 11 Ca -0.03 1.46 -0.03 0.00 -0.22 0.00 0.00 54.13 55.31 2djm s LEU 11 Cb -0.02 -3.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 2djm s LEU 11 CO -0.04 0.09 -0.06 -0.78 -1.32 0.00 0.00 176.35 174.24 2djm h ASP 12 N 3.71 0.00 -4.18 3.68 3.58 -1.77 -3.42 116.42 118.01 2djm h ASP 12 Ca -0.48 0.00 0.30 0.00 0.42 0.00 0.00 57.03 57.27 2djm h ASP 12 Cb 1.20 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.05 2djm h ASP 12 CO 0.65 0.30 0.91 -0.94 -2.88 0.00 0.00 179.24 177.28 2djm s SER 13 N -4.37 -0.06 0.15 2.28 1.04 -0.88 -5.02 113.70 106.83 2djm s SER 13 Ca -0.05 -0.00 -0.14 0.00 0.48 0.00 0.00 55.95 56.24 2djm s SER 13 Cb 0.01 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.22 2djm s SER 13 CO 0.07 -0.11 0.38 -0.72 0.98 0.00 0.00 173.24 173.84 2djm s TYR 14 N -2.20 -0.02 0.11 5.02 -0.85 -1.26 -0.28 117.35 117.88 2djm s TYR 14 Ca 0.11 -0.33 0.04 0.00 -0.52 0.00 0.00 57.07 56.37 2djm s TYR 14 Cb -0.01 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 2djm s TYR 14 CO -0.03 -0.74 -0.10 1.21 -1.52 0.00 0.00 175.55 174.37 2djm s ASN 15 N -2.86 1.56 0.04 -0.18 3.84 0.15 -4.95 114.94 112.53 2djm s ASN 15 Ca 0.08 -0.89 0.03 0.00 0.21 0.00 0.00 52.86 52.29 2djm s ASN 15 Cb 0.02 0.01 -0.02 0.00 -0.55 0.00 0.00 41.25 40.70 2djm s ASN 15 CO -0.07 -0.29 -0.10 -0.47 -2.79 0.00 0.00 177.10 173.37 2djm s TYR 16 N -2.80 0.90 0.00 0.43 5.04 -1.26 -2.60 117.35 117.07 2djm s TYR 16 Ca 0.10 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 2djm s TYR 16 Cb -0.01 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.77 2djm s TYR 16 CO -0.00 -0.01 0.00 -3.47 -1.34 0.00 0.00 175.55 170.73 2djm n ASP 17 N 1.87 0.06 0.05 4.32 2.03 -1.16 -4.94 116.55 118.78 2djm n ASP 17 Ca -0.19 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.03 2djm n ASP 17 Cb 0.55 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.90 2djm n ASP 17 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2djm h GLY 18 N 0.00 -1.21 -6.27 0.27 0.00 -2.01 -3.38 103.07 90.46 2djm h GLY 18 Ca 0.00 0.61 -0.44 0.00 0.00 0.00 0.00 47.33 47.50 2djm h GLY 18 CO 0.00 -0.36 -0.77 -0.45 0.00 0.00 0.00 176.54 174.96 2djm s SER 19 N -3.71 1.34 -0.08 0.19 0.15 -1.26 -5.07 113.70 105.25 2djm s SER 19 Ca -0.09 -2.08 -0.08 0.00 0.70 0.00 0.00 55.95 54.40 2djm s SER 19 Cb 0.03 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 2djm s SER 19 CO 0.34 -0.23 0.23 -0.89 1.20 0.00 0.00 173.24 173.89 2djm s THR 20 N 0.97 0.00 -0.04 6.45 2.01 -1.26 -4.11 115.64 119.66 2djm s THR 20 Ca 0.22 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.25 2djm s THR 20 Cb -0.11 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 2djm s THR 20 CO -0.06 -0.01 -0.19 0.12 -0.69 0.00 0.00 174.62 173.79 2djm s PHE 21 N 0.08 2.57 -0.28 4.92 2.19 0.12 -3.00 117.98 124.58 2djm s PHE 21 Ca -0.00 -0.29 -0.20 0.00 0.33 0.00 0.00 56.93 56.77 2djm s PHE 21 Cb -0.02 -1.59 0.10 0.00 -1.31 0.00 0.00 43.02 40.20 2djm s PHE 21 CO 0.00 0.08 0.81 -1.12 1.83 0.00 0.00 175.22 176.83 2djm s SER 22 N -0.64 -0.73 0.00 6.13 0.01 -1.07 0.79 113.70 118.19 2djm s SER 22 Ca 0.10 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2djm s SER 22 Cb -0.11 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.42 2djm s SER 22 CO 0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2djm n GLY 23 N 3.48 -0.70 3.79 3.44 0.00 -0.71 0.32 105.19 114.81 2djm n GLY 23 Ca -0.17 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.71 1.71 0.14 1.61 -2.85 0.62 -1.87 119.74 118.39 2djm s LYS 24 Ca 0.00 -0.94 0.04 0.00 -1.00 0.00 0.00 55.97 54.06 2djm s LYS 24 Cb 0.00 0.60 -0.04 0.00 -2.06 0.00 0.00 37.83 36.32 2djm s LYS 24 CO 0.00 -0.77 -0.08 0.42 0.10 0.00 0.00 175.35 175.02 2djm s ILE 25 N -3.91 1.01 -0.35 3.79 1.01 0.10 -2.08 121.20 120.78 2djm s ILE 25 Ca 0.10 -2.02 -0.00 0.00 0.00 0.00 0.00 60.65 58.73 2djm s ILE 25 Cb -0.05 -1.87 0.11 0.00 0.01 0.00 0.00 42.46 40.66 2djm s ILE 25 CO 0.05 -0.72 0.15 -0.47 0.00 0.00 0.00 174.94 173.94 2djm s TYR 26 N -3.43 1.62 0.05 3.97 6.14 0.83 -1.14 117.35 125.39 2djm s TYR 26 Ca 0.17 -1.87 0.02 0.00 0.64 0.00 0.00 57.07 56.02 2djm s TYR 26 Cb 0.04 -1.65 -0.03 0.00 0.42 0.00 0.00 41.96 40.74 2djm s TYR 26 CO 0.00 -0.85 -0.06 0.14 0.64 0.00 0.00 175.55 175.42 2djm s VAL 27 N 1.24 0.46 0.38 3.14 -7.23 -1.11 0.34 120.40 117.61 2djm s VAL 27 Ca 0.13 -1.20 -0.26 0.00 -1.81 0.00 0.00 61.98 58.84 2djm s VAL 27 Cb -0.20 -0.74 -0.09 0.00 0.56 0.00 0.00 36.38 35.92 2djm s VAL 27 CO -0.16 -0.51 1.12 -0.75 -0.31 0.00 0.00 175.10 174.49 2djm s LYS 28 N -1.99 4.20 -0.66 4.82 2.20 0.25 0.46 119.74 129.02 2djm s LYS 28 Ca -0.07 1.73 -0.13 0.00 -0.36 0.00 0.00 55.97 57.14 2djm s LYS 28 Cb -0.07 -2.73 0.17 0.00 -1.51 0.00 0.00 37.83 33.69 2djm s LYS 28 CO -0.01 -0.16 0.58 0.54 -0.36 0.00 0.00 175.35 175.94 2djm s ASN 29 N -1.22 6.26 -0.07 1.43 2.20 -1.25 -4.77 114.94 117.51 2djm s ASN 29 Ca 0.55 -2.28 -0.12 0.00 -0.94 0.00 0.00 52.86 50.06 2djm s ASN 29 Cb -0.28 -2.14 -0.09 0.00 -2.00 0.00 0.00 41.25 36.74 2djm s ASN 29 CO 0.36 -0.67 0.47 0.40 -2.94 0.00 0.00 177.10 174.72 2djm h ILE 30 N 5.41 0.36 -3.09 0.54 2.04 -1.94 -3.48 117.51 117.36 2djm h ILE 30 Ca -0.09 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2djm h ILE 30 Cb 1.06 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2djm h ILE 30 CO 0.86 0.11 0.00 0.00 0.00 0.00 0.00 178.15 179.12 2djm n ALA 31 N -2.70 0.00 -0.01 1.87 0.00 -1.26 -5.08 120.51 113.33 2djm n ALA 31 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.40 2djm n ALA 31 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.02 0.00 -1.53 0.00 9.36 -1.26 -4.65 117.16 119.05 2djm n TYR 32 Ca 0.00 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.81 2djm n TYR 32 Cb 0.00 -0.12 -0.01 0.00 -0.63 0.00 0.00 39.34 38.58 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 -1.81 4.37 -4.68 2.98 7.64 -1.26 -4.92 113.62 115.94 2djm n SER 33 Ca -0.02 -2.75 -0.39 0.00 1.01 0.00 0.00 58.87 56.71 2djm n SER 33 Cb 0.28 -1.53 -0.06 0.00 -1.01 0.00 0.00 64.21 61.89 2djm n SER 33 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2djm s LYS 34 N 3.37 4.24 -0.20 1.43 1.02 -1.26 -2.64 119.74 125.70 2djm s LYS 34 Ca 0.52 0.49 0.00 0.00 0.02 0.00 0.00 55.97 57.00 2djm s LYS 34 Cb 0.14 -3.53 0.05 0.00 -0.52 0.00 0.00 37.83 33.97 2djm s LYS 34 CO -0.05 -0.09 -0.07 0.15 -0.92 0.00 0.00 175.35 174.37 2djm s LYS 35 N 1.44 1.72 -0.28 1.68 1.02 -0.17 -5.05 119.74 120.10 2djm s LYS 35 Ca 0.26 -0.77 -0.03 0.00 0.02 0.00 0.00 55.97 55.45 2djm s LYS 35 Cb -0.16 -2.33 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2djm s LYS 35 CO 0.10 -0.48 -0.00 0.08 -0.92 0.00 0.00 175.35 174.13 2djm s VAL 36 N 1.48 3.20 -0.24 3.17 1.01 -1.26 -1.20 120.40 126.55 2djm s VAL 36 Ca -0.02 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.93 2djm s VAL 36 Cb -0.17 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.57 2djm s VAL 36 CO -0.08 0.07 -0.10 0.42 0.00 0.00 0.00 175.10 175.41 2djm s THR 37 N 1.35 1.88 -0.43 3.92 -4.23 -0.74 -0.59 115.64 116.80 2djm s THR 37 Ca -0.01 -1.35 -0.29 0.00 -1.18 0.00 0.00 61.69 58.86 2djm s THR 37 Cb -0.18 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.68 2djm s THR 37 CO -0.02 0.03 1.14 -0.69 -0.54 0.00 0.00 174.62 174.55 2djm s VAL 38 N 1.25 4.26 -0.35 2.29 1.01 0.90 0.40 120.40 130.15 2djm s VAL 38 Ca -0.06 1.33 -0.08 0.00 0.00 0.00 0.00 61.98 63.17 2djm s VAL 38 Cb -0.18 -4.53 0.03 0.00 0.00 0.00 0.00 36.38 31.70 2djm s VAL 38 CO -0.06 -0.87 0.14 -0.69 0.00 0.00 0.00 175.10 173.62 2djm s VAL 39 N 4.32 4.08 0.16 2.92 1.01 -1.01 0.25 120.40 132.13 2djm s VAL 39 Ca 0.48 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2djm s VAL 39 Cb -0.09 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2djm s VAL 39 CO 0.28 -0.20 0.14 -0.72 0.00 0.00 0.00 175.10 174.60 2djm s TYR 40 N 1.46 3.18 -1.30 5.22 -0.85 -0.43 -1.81 117.35 122.82 2djm s TYR 40 Ca -0.00 0.00 -0.18 0.00 -0.52 0.00 0.00 57.07 56.37 2djm s TYR 40 Cb -0.19 -1.53 0.03 0.00 0.38 0.00 0.00 41.96 40.64 2djm s TYR 40 CO 0.04 0.52 1.92 0.00 -1.52 0.00 0.00 175.55 176.51 2djm n ALA 41 N -0.29 3.95 -0.84 9.51 0.00 0.37 -4.56 120.51 128.65 2djm n ALA 41 Ca -0.08 -3.73 -0.33 0.00 0.00 0.00 0.00 53.44 49.29 2djm n ALA 41 Cb 0.54 -3.58 0.12 0.00 0.00 0.00 0.00 19.45 16.54 2djm n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2djm n ASP 42 N 8.29 -1.37 0.00 0.00 2.03 -1.26 -0.80 116.55 123.44 2djm n ASP 42 Ca 0.50 0.39 0.00 0.00 0.52 0.00 0.00 54.79 56.19 2djm n ASP 42 Cb 0.44 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 2djm n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2djm n GLY 43 N 1.24 1.27 0.11 0.27 0.00 -1.22 -2.86 105.19 104.01 2djm n GLY 43 Ca 0.08 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 2djm n GLY 43 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2djm h SER 44 N 0.00 0.09 0.00 1.61 0.02 -1.90 -3.35 113.55 110.03 2djm h SER 44 Ca 0.00 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 2djm h SER 44 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2djm h SER 44 CO 0.00 1.55 0.00 -0.90 -1.14 0.00 0.00 176.83 176.34 2djm n ASP 45 N -4.25 0.00 -4.37 3.07 5.75 -1.13 -4.69 116.55 110.93 2djm n ASP 45 Ca -0.31 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.09 2djm n ASP 45 Cb 0.75 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.72 2djm n ASP 45 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2djm s ASN 46 N 0.00 5.27 -0.97 -1.12 2.47 -1.14 -4.89 114.94 114.56 2djm s ASN 46 Ca 0.00 -0.69 -0.09 0.00 0.42 0.00 0.00 52.86 52.50 2djm s ASN 46 Cb 0.00 -1.92 0.25 0.00 -1.45 0.00 0.00 41.25 38.13 2djm s ASN 46 CO 0.00 -0.21 0.93 0.26 -3.72 0.00 0.00 177.10 174.36 2djm s TRP 47 N 1.53 4.02 0.00 0.43 0.52 -1.26 -4.22 118.94 119.96 2djm s TRP 47 Ca 0.03 -2.52 -0.02 0.00 0.02 0.00 0.00 56.10 53.62 2djm s TRP 47 Cb -0.17 -3.73 -0.09 0.00 -1.15 0.00 0.00 33.47 28.33 2djm s TRP 47 CO 0.04 -0.93 2.07 0.27 0.02 0.00 0.00 176.95 178.42 2djm n ASN 48 N 3.10 3.96 -3.00 2.95 6.94 -1.26 -4.57 115.26 123.38 2djm n ASN 48 Ca 0.20 -2.13 -0.19 0.00 -0.02 0.00 0.00 54.58 52.43 2djm n ASN 48 Cb 0.41 -0.94 -0.00 0.00 -2.36 0.00 0.00 39.78 36.89 2djm n ASN 48 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2djm n ASN 49 N 2.06 -3.97 -0.00 0.53 3.02 -1.26 -4.78 115.26 110.86 2djm n ASN 49 Ca 0.14 -0.16 0.05 0.00 -0.03 0.00 0.00 54.58 54.57 2djm n ASN 49 Cb 0.51 -3.30 -0.07 0.00 -0.61 0.00 0.00 39.78 36.30 2djm n ASN 49 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2djm n ASN 50 N -2.13 1.95 0.00 6.41 5.15 -1.26 -5.00 115.26 120.37 2djm n ASN 50 Ca -0.07 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 2djm n ASN 50 Cb 0.57 1.31 0.00 0.00 -0.53 0.00 0.00 39.78 41.13 2djm n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2djm n GLY 51 N 1.70 1.32 1.88 8.20 0.00 -1.26 -4.50 105.19 112.52 2djm n GLY 51 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 3.42 -3.52 -4.61 1.61 3.02 -1.26 -3.19 115.26 110.73 2djm n ASN 52 Ca 0.00 0.04 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 2djm n ASN 52 Cb 0.00 -2.13 -0.11 0.00 -0.61 0.00 0.00 39.78 36.94 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 -2.43 3.95 -0.14 2.41 -1.16 -1.24 -1.31 121.20 121.28 2djm s ILE 53 Ca 0.02 -0.38 0.01 0.00 -0.51 0.00 0.00 60.65 59.79 2djm s ILE 53 Cb -0.01 -2.64 -0.01 0.00 0.61 0.00 0.00 42.46 40.41 2djm s ILE 53 CO 0.20 0.59 -0.16 -0.51 -2.81 0.00 0.00 174.94 172.25 2djm s ILE 54 N -0.70 2.71 -0.03 2.00 1.10 0.14 -4.91 121.20 121.50 2djm s ILE 54 Ca 0.11 -0.77 -0.27 0.00 -0.51 0.00 0.00 60.65 59.20 2djm s ILE 54 Cb -0.11 -2.12 -0.03 0.00 0.15 0.00 0.00 42.46 40.34 2djm s ILE 54 CO 0.02 0.53 0.87 0.00 -2.11 0.00 0.00 174.94 174.25 2djm s ALA 55 N 0.56 3.23 0.26 1.50 0.00 -1.26 -0.07 121.76 125.98 2djm s ALA 55 Ca -0.10 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.26 2djm s ALA 55 Cb -0.16 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2djm s ALA 55 CO 0.04 -0.19 0.42 0.00 0.00 0.00 0.00 175.76 176.03 2djm s ALA 56 N 0.96 3.83 0.44 0.00 0.00 0.24 -4.96 121.76 122.28 2djm s ALA 56 Ca 0.46 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2djm s ALA 56 Cb -0.20 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 2djm s ALA 56 CO 0.24 0.22 0.05 -1.54 0.00 0.00 0.00 175.76 174.73 2djm s SER 57 N -3.76 3.46 0.04 0.00 1.04 -1.05 -4.53 113.70 108.91 2djm s SER 57 Ca 0.37 -1.57 0.06 0.00 0.48 0.00 0.00 55.95 55.29 2djm s SER 57 Cb -0.10 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 2djm s SER 57 CO 0.31 -0.77 -0.17 0.72 0.98 0.00 0.00 173.24 174.32 2djm s PHE 58 N -3.00 1.45 -0.01 5.02 -0.12 -1.26 0.30 117.98 120.36 2djm s PHE 58 Ca 0.20 -0.36 -0.07 0.00 -0.05 0.00 0.00 56.93 56.65 2djm s PHE 58 Cb 0.04 -0.86 -0.30 0.00 -0.63 0.00 0.00 43.02 41.28 2djm s PHE 58 CO 0.11 0.06 0.81 0.77 -0.05 0.00 0.00 175.22 176.92 2djm h SER 59 N 4.88 0.53 -0.53 1.98 0.02 -0.31 -3.45 113.55 116.66 2djm h SER 59 Ca -0.40 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 59.83 2djm h SER 59 Cb 1.17 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2djm h SER 59 CO 0.44 1.60 0.00 0.61 -1.14 0.00 0.00 176.83 178.33 2djm n GLY 60 N 1.74 3.14 3.67 -3.77 0.00 -1.01 -5.01 105.19 103.95 2djm n GLY 60 Ca -0.19 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 2djm n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djm n PRO 61 N -1.13 0.71 -2.84 1.61 -0.04 -1.26 -0.55 135.00 131.50 2djm n PRO 61 Ca 0.00 0.30 -0.43 0.00 -0.04 0.00 0.00 63.50 63.33 2djm n PRO 61 Cb 0.00 -2.37 -0.04 0.00 -0.04 0.00 0.00 33.50 31.05 2djm n PRO 61 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2djm s ILE 62 N -1.68 4.34 0.01 0.52 1.01 0.58 -4.72 121.20 121.25 2djm s ILE 62 Ca 0.77 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.18 2djm s ILE 62 Cb -0.36 -4.60 -0.08 0.00 0.01 0.00 0.00 42.46 37.44 2djm s ILE 62 CO 0.46 -1.26 1.83 -0.94 0.00 0.00 0.00 174.94 175.03 2djm s SER 63 N 3.16 6.54 0.00 3.58 1.04 -1.26 -1.11 113.70 125.65 2djm s SER 63 Ca 0.28 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.21 2djm s SER 63 Cb -0.14 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2djm s SER 63 CO 0.16 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2djm n GLY 64 N 4.35 0.79 3.27 7.32 0.00 -1.26 -5.08 105.19 114.59 2djm n GLY 64 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.85 0.32 -0.54 1.61 0.01 -0.26 -4.11 113.70 108.87 2djm s SER 65 Ca 0.00 -1.37 0.01 0.00 1.31 0.00 0.00 55.95 55.90 2djm s SER 65 Cb 0.00 0.44 0.48 0.00 0.21 0.00 0.00 66.02 67.15 2djm s SER 65 CO 0.00 -0.92 1.80 0.59 0.41 0.00 0.00 173.24 175.12 2djm n ASN 66 N -0.47 6.31 -4.73 2.44 3.02 -1.26 -4.62 115.26 115.94 2djm n ASN 66 Ca 0.02 -3.76 -0.32 0.00 -0.03 0.00 0.00 54.58 50.49 2djm n ASN 66 Cb 0.65 -0.80 -0.08 0.00 -0.61 0.00 0.00 39.78 38.93 2djm n ASN 66 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2djm s TYR 67 N -3.68 1.94 0.28 3.10 1.51 -1.26 -3.87 117.35 115.37 2djm s TYR 67 Ca 0.60 -0.93 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 2djm s TYR 67 Cb 0.48 -1.62 -0.06 0.00 -0.11 0.00 0.00 41.96 40.65 2djm s TYR 67 CO 0.01 0.24 0.00 -2.00 -1.11 0.00 0.00 175.55 172.70 2djm s GLU 68 N -3.85 1.52 -0.20 -0.62 2.12 0.17 -0.31 118.70 117.54 2djm s GLU 68 Ca 0.10 -1.80 0.01 0.00 0.36 0.00 0.00 54.97 53.63 2djm s GLU 68 Cb 0.03 -0.88 0.04 0.00 0.26 0.00 0.00 34.13 33.58 2djm s GLU 68 CO 0.05 -0.09 -0.10 -0.47 -0.54 0.00 0.00 175.26 174.11 2djm s TYR 69 N -3.25 2.37 0.07 5.30 5.04 0.29 -2.75 117.35 124.42 2djm s TYR 69 Ca 0.32 -1.55 0.06 0.00 -2.44 0.00 0.00 57.07 53.45 2djm s TYR 69 Cb 0.06 -1.62 -0.04 0.00 0.35 0.00 0.00 41.96 40.72 2djm s TYR 69 CO 0.12 -0.73 -0.08 -1.58 -1.34 0.00 0.00 175.55 171.94 2djm s TRP 70 N 1.41 2.81 -0.06 4.97 0.52 -0.29 0.46 118.94 128.76 2djm s TRP 70 Ca -0.01 -0.11 -0.15 0.00 0.02 0.00 0.00 56.10 55.85 2djm s TRP 70 Cb -0.16 -1.50 0.03 0.00 -1.15 0.00 0.00 33.47 30.69 2djm s TRP 70 CO -0.08 0.41 0.36 0.95 0.02 0.00 0.00 176.95 178.60 2djm s THR 71 N -1.15 0.03 -0.20 2.01 -4.23 0.15 0.02 115.64 112.27 2djm s THR 71 Ca 0.20 -0.28 -0.34 0.00 -1.18 0.00 0.00 61.69 60.10 2djm s THR 71 Cb -0.11 -0.61 0.15 0.00 1.34 0.00 0.00 72.50 73.27 2djm s THR 71 CO 0.12 -0.15 1.21 0.72 -0.54 0.00 0.00 174.62 175.98 2djm s PHE 72 N -0.77 -0.14 0.05 3.99 -0.71 -0.78 -2.52 117.98 117.11 2djm s PHE 72 Ca -0.09 0.13 0.07 0.00 -1.04 0.00 0.00 56.93 56.00 2djm s PHE 72 Cb -0.04 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 2djm s PHE 72 CO 0.03 -0.19 -0.15 -1.54 -1.34 0.00 0.00 175.22 172.04 2djm s SER 73 N -1.90 4.07 -0.13 1.98 1.04 -1.26 -1.73 113.70 115.76 2djm s SER 73 Ca 0.08 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.10 2djm s SER 73 Cb -0.01 -0.73 0.05 0.00 0.10 0.00 0.00 66.02 65.43 2djm s SER 73 CO -0.05 0.24 0.07 0.00 0.98 0.00 0.00 173.24 174.48 2djm s ALA 74 N -1.01 0.45 -0.64 5.32 0.00 0.24 -4.95 121.76 121.17 2djm s ALA 74 Ca 0.17 -0.19 -0.27 0.00 0.00 0.00 0.00 51.96 51.67 2djm s ALA 74 Cb -0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2djm s ALA 74 CO 0.08 -0.92 1.68 -1.12 0.00 0.00 0.00 175.76 175.48 2djm s SER 75 N 2.10 5.57 0.20 0.00 0.01 -1.26 0.15 113.70 120.47 2djm s SER 75 Ca 0.03 0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.48 2djm s SER 75 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2djm s SER 75 CO -0.07 -2.18 0.23 0.68 0.41 0.00 0.00 173.24 172.30 2djm s VAL 76 N 7.97 4.80 -0.05 3.43 -7.23 -1.26 -4.95 120.40 123.11 2djm s VAL 76 Ca 0.58 -1.07 0.08 0.00 -1.81 0.00 0.00 61.98 59.76 2djm s VAL 76 Cb -0.11 -3.52 0.11 0.00 0.56 0.00 0.00 36.38 33.42 2djm s VAL 76 CO 0.20 -0.21 1.03 2.29 -0.31 0.00 0.00 175.10 178.09 2djm n LYS 77 N -0.82 1.99 0.00 4.82 0.00 -1.26 -4.45 118.16 118.44 2djm n LYS 77 Ca -0.08 -1.84 0.00 0.00 -0.00 0.00 0.00 58.31 56.39 2djm n LYS 77 Cb 0.56 -1.14 0.00 0.00 -0.00 0.00 0.00 35.03 34.45 2djm n LYS 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2djm n GLY 78 N -0.82 3.90 3.58 2.58 0.00 -1.26 -4.83 105.19 108.35 2djm n GLY 78 Ca 0.06 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.89 0.00 0.00 -0.61 2.07 -1.25 -3.37 121.20 117.14 2djm s ILE 79 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2djm s ILE 79 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2djm s ILE 79 CO 0.00 0.00 0.00 1.17 -1.91 0.00 0.00 174.94 174.20 2djm n LYS 80 N 0.40 0.00 -4.06 3.50 3.00 0.02 -4.62 118.16 116.41 2djm n LYS 80 Ca -0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.12 2djm n LYS 80 Cb 0.59 -0.21 -0.04 0.00 0.00 0.00 0.00 35.03 35.36 2djm n LYS 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2djm s GLU 81 N -1.84 1.83 0.07 1.64 -1.05 -1.18 -0.80 118.70 117.37 2djm s GLU 81 Ca 0.00 -1.63 -0.28 0.00 -0.15 0.00 0.00 54.97 52.91 2djm s GLU 81 Cb 0.00 0.45 0.09 0.00 -0.44 0.00 0.00 34.13 34.23 2djm s GLU 81 CO 0.00 -0.76 1.07 -0.59 0.95 0.00 0.00 175.26 175.93 2djm s PHE 82 N -3.24 -0.12 -0.05 4.83 -0.71 -0.91 0.14 117.98 117.91 2djm s PHE 82 Ca 0.28 -0.10 -0.09 0.00 -1.04 0.00 0.00 56.93 55.99 2djm s PHE 82 Cb -0.00 0.59 0.02 0.00 -1.21 0.00 0.00 43.02 42.42 2djm s PHE 82 CO 0.17 -0.59 0.22 1.52 -1.34 0.00 0.00 175.22 175.20 2djm s TYR 83 N -2.95 -0.17 0.05 3.49 -0.85 -0.75 -2.22 117.35 113.95 2djm s TYR 83 Ca 0.12 0.38 -0.19 0.00 -0.52 0.00 0.00 57.07 56.86 2djm s TYR 83 Cb 0.01 0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.34 2djm s TYR 83 CO -0.01 -0.20 0.56 0.42 -1.52 0.00 0.00 175.55 174.80 2djm s ILE 84 N -0.46 4.80 -0.45 -3.49 -1.09 0.73 -2.39 121.20 118.84 2djm s ILE 84 Ca -0.06 1.20 -0.17 0.00 -2.23 0.00 0.00 60.65 59.40 2djm s ILE 84 Cb -0.04 -3.90 0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2djm s ILE 84 CO 0.01 0.52 0.44 -0.54 -1.23 0.00 0.00 174.94 174.15 2djm s LYS 85 N -0.88 3.05 -0.63 2.79 -0.14 0.16 -2.35 119.74 121.73 2djm s LYS 85 Ca 0.29 -1.00 -0.22 0.00 -1.36 0.00 0.00 55.97 53.69 2djm s LYS 85 Cb -0.19 -4.04 0.07 0.00 -1.68 0.00 0.00 37.83 31.99 2djm s LYS 85 CO 0.18 -0.96 0.90 -0.47 -0.76 0.00 0.00 175.35 174.25 2djm s TYR 86 N 2.02 2.75 -0.33 3.18 5.04 -0.88 -1.79 117.35 127.35 2djm s TYR 86 Ca 0.09 -0.56 -0.10 0.00 -2.44 0.00 0.00 57.07 54.06 2djm s TYR 86 Cb -0.20 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 37.93 2djm s TYR 86 CO 0.11 -1.53 0.17 -2.00 -1.34 0.00 0.00 175.55 170.96 2djm s GLU 87 N 3.76 3.18 -0.30 4.97 2.12 -0.34 -1.36 118.70 130.73 2djm s GLU 87 Ca 0.21 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 54.74 2djm s GLU 87 Cb -0.18 -3.62 0.08 0.00 0.26 0.00 0.00 34.13 30.67 2djm s GLU 87 CO 0.11 -0.51 -0.04 0.08 -0.54 0.00 0.00 175.26 174.36 2djm s VAL 88 N 1.60 2.23 -1.05 3.70 1.01 -0.83 -1.00 120.40 126.05 2djm s VAL 88 Ca 0.04 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.08 2djm s VAL 88 Cb -0.18 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2djm s VAL 88 CO 0.06 -0.28 0.00 -0.24 0.00 0.00 0.00 175.10 174.65 2djm n SER 89 N 4.36 -3.52 0.00 3.32 2.88 -1.08 0.45 113.62 120.02 2djm n SER 89 Ca -0.06 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2djm n SER 89 Cb 0.42 -3.09 0.00 0.00 -0.75 0.00 0.00 64.21 60.79 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 -0.62 2.29 3.94 0.46 0.00 -1.26 -5.11 105.19 104.88 2djm n GLY 90 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2djm n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djm s LYS 91 N -0.27 0.98 -0.13 1.61 -0.14 0.17 -5.05 119.74 116.91 2djm s LYS 91 Ca 0.00 -0.44 -0.14 0.00 -1.36 0.00 0.00 55.97 54.03 2djm s LYS 91 Cb 0.00 -1.94 0.04 0.00 -1.68 0.00 0.00 37.83 34.25 2djm s LYS 91 CO 0.00 -2.15 0.38 0.99 -0.76 0.00 0.00 175.35 173.80 2djm s THR 92 N -3.73 0.01 0.06 2.17 2.01 -1.22 -1.97 115.64 112.96 2djm s THR 92 Ca 0.71 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.67 2djm s THR 92 Cb -0.05 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 2djm s THR 92 CO 0.51 -0.02 0.08 -1.22 -0.69 0.00 0.00 174.62 173.27 2djm n TYR 93 N 2.70 -0.47 -3.80 4.92 4.01 -0.46 -4.97 117.16 119.08 2djm n TYR 93 Ca -0.14 -0.44 -0.13 0.00 -0.16 0.00 0.00 57.90 57.03 2djm n TYR 93 Cb 0.57 0.08 -0.12 0.00 -0.31 0.00 0.00 39.34 39.57 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 -3.93 -0.22 -0.18 -0.72 2.02 -1.26 -2.06 117.35 111.00 2djm s TYR 94 Ca 0.06 0.52 -0.01 0.00 -0.37 0.00 0.00 57.07 57.27 2djm s TYR 94 Cb -0.00 0.07 0.05 0.00 -0.40 0.00 0.00 41.96 41.68 2djm s TYR 94 CO 0.04 -0.14 -0.03 0.34 -1.57 0.00 0.00 175.55 174.19 2djm s ASP 95 N -0.07 3.01 0.00 2.29 2.15 -0.99 -4.81 116.67 118.25 2djm s ASP 95 Ca -0.02 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.17 2djm s ASP 95 Cb -0.02 -0.86 0.00 0.00 -0.30 0.00 0.00 42.92 41.74 2djm s ASP 95 CO 0.01 -0.23 0.00 -0.46 -0.17 0.00 0.00 175.17 174.32 2djm n ASN 96 N 4.89 2.48 0.00 -0.34 6.94 -1.26 -0.19 115.26 127.78 2djm n ASN 96 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.45 2djm n ASN 96 Cb 0.47 0.26 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 2djm n ASN 96 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2djm n ASN 97 N -1.23 0.00 0.00 0.53 6.94 -1.26 -1.17 115.26 119.07 2djm n ASN 97 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2djm n ASN 97 Cb 0.24 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 2djm n ASN 97 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2djm n ASN 98 N 0.00 0.00 -0.25 0.53 6.94 -1.26 -4.98 115.26 116.25 2djm n ASN 98 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2djm n ASN 98 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2djm n ASN 98 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2djm n SER 99 N 0.00 -0.04 0.00 0.53 3.41 -1.26 -5.04 113.62 111.22 2djm n SER 99 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2djm n SER 99 Cb 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2djm n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2djm n ALA 100 N 0.00 0.19 0.00 7.33 0.00 -1.26 -5.16 120.51 121.62 2djm n ALA 100 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2djm n ALA 100 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.13 -0.45 -4.67 0.00 3.02 -1.23 -4.90 115.26 106.91 2djm n ASN 101 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 2djm n ASN 101 Cb 0.00 0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 2djm n ASN 101 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2djm s TYR 102 N -2.04 2.56 -0.04 3.10 2.02 -0.31 -4.77 117.35 117.86 2djm s TYR 102 Ca 0.00 0.71 -0.26 0.00 -0.37 0.00 0.00 57.07 57.15 2djm s TYR 102 Cb 0.00 -3.66 -0.03 0.00 -0.40 0.00 0.00 41.96 37.86 2djm s TYR 102 CO 0.00 -2.53 0.82 -0.65 -1.57 0.00 0.00 175.55 171.62 2djm s GLN 103 N 3.47 4.48 0.48 -0.62 1.11 -1.26 -2.15 119.66 125.18 2djm s GLN 103 Ca 0.62 1.11 -0.17 0.00 0.01 0.00 0.00 55.36 56.94 2djm s GLN 103 Cb -0.27 -3.46 -0.08 0.00 -1.01 0.00 0.00 33.01 28.18 2djm s GLN 103 CO 0.22 -0.01 0.96 0.08 0.01 0.00 0.00 175.29 176.55 2djm s VAL 104 N 0.97 4.52 -0.81 1.09 1.01 0.02 -4.92 120.40 122.28 2djm s VAL 104 Ca 0.44 1.23 -0.06 0.00 0.00 0.00 0.00 61.98 63.58 2djm s VAL 104 Cb -0.19 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2djm s VAL 104 CO 0.22 -0.58 2.56 -1.54 0.00 0.00 0.00 175.10 175.76 2djm n SER 105 N -1.32 5.62 0.00 3.32 3.41 -1.26 -4.97 113.62 118.41 2djm n SER 105 Ca 0.06 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 2djm n SER 105 Cb 0.54 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2djm n SER 105 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95