#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 3.80 -0.20 0.00 0.01 -1.26 -4.97 113.70 111.08 2djm s SER 2 Ca 0.00 2.25 -0.26 0.00 1.31 0.00 0.00 55.95 59.25 2djm s SER 2 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2djm s SER 2 CO 0.00 -2.52 0.88 -0.63 0.41 0.00 0.00 173.24 171.37 2djm s ILE 3 N -2.30 4.83 0.46 1.44 1.01 -1.26 -5.03 121.20 120.35 2djm s ILE 3 Ca 0.70 1.70 -0.24 0.00 0.00 0.00 0.00 60.65 62.82 2djm s ILE 3 Cb -0.26 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 37.97 2djm s ILE 3 CO 0.51 -0.05 1.27 -2.16 0.00 0.00 0.00 174.94 174.51 2djm s PRO 4 N 2.57 3.67 0.00 2.79 0.04 -1.26 -4.95 135.00 137.86 2djm s PRO 4 Ca 0.39 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2djm s PRO 4 Cb -0.16 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2djm s PRO 4 CO 0.10 -0.70 0.00 0.45 0.04 0.00 0.00 177.00 176.88 2djm n SER 5 N -0.41 4.49 0.00 6.66 2.88 -1.26 -4.88 113.62 121.10 2djm n SER 5 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2djm n SER 5 Cb 0.46 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 2djm n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2djm n SER 6 N -1.76 0.00 -4.88 -3.46 3.41 -1.26 -4.94 113.62 100.73 2djm n SER 6 Ca 0.00 0.56 -0.21 0.00 -0.26 0.00 0.00 58.87 58.96 2djm n SER 6 Cb 0.37 -0.32 0.06 0.00 -0.26 0.00 0.00 64.21 64.07 2djm n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2djm s ALA 7 N -3.01 4.06 -0.68 7.33 0.00 -1.26 -5.00 121.76 123.19 2djm s ALA 7 Ca 0.00 -1.67 0.26 0.00 0.00 0.00 0.00 51.96 50.54 2djm s ALA 7 Cb 0.00 -1.88 0.71 0.00 0.00 0.00 0.00 23.12 21.95 2djm s ALA 7 CO 0.00 -0.98 1.72 0.77 0.00 0.00 0.00 175.76 177.28 2djm h SER 8 N -0.06 0.00 -5.02 0.00 0.02 -1.92 -3.46 113.55 103.11 2djm h SER 8 Ca -0.37 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.41 2djm h SER 8 Cb 1.28 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.62 2djm h SER 8 CO 0.45 0.01 -0.67 0.54 -1.14 0.00 0.00 176.83 176.02 2djm s VAL 9 N -3.12 0.12 -0.09 2.27 0.11 -1.26 0.22 120.40 118.65 2djm s VAL 9 Ca 0.10 -1.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.11 2djm s VAL 9 Cb 0.11 -0.46 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2djm s VAL 9 CO 0.62 -0.55 0.20 -1.58 -3.33 0.00 0.00 175.10 170.46 2djm s GLN 10 N -1.80 0.15 0.25 1.54 0.74 0.19 -4.86 119.66 115.87 2djm s GLN 10 Ca -0.13 0.48 -0.30 0.00 0.05 0.00 0.00 55.36 55.47 2djm s GLN 10 Cb -0.07 -0.15 -0.09 0.00 1.10 0.00 0.00 33.01 33.79 2djm s GLN 10 CO -0.02 -0.18 1.26 -1.17 -0.55 0.00 0.00 175.29 174.63 2djm s LEU 11 N 1.35 4.45 -0.23 3.68 2.96 -1.26 -0.19 118.68 129.44 2djm s LEU 11 Ca -0.08 2.46 -0.17 0.00 -0.22 0.00 0.00 54.13 56.11 2djm s LEU 11 Cb -0.11 -3.63 -0.17 0.00 0.50 0.00 0.00 46.19 42.78 2djm s LEU 11 CO -0.07 -0.45 0.02 -0.67 -1.32 0.00 0.00 176.35 173.86 2djm n ASP 12 N 1.78 1.91 0.00 3.68 2.03 -1.00 -4.84 116.55 120.11 2djm n ASP 12 Ca 0.03 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2djm n ASP 12 Cb 0.43 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2djm n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2djm n SER 13 N -4.27 0.00 -3.54 1.67 3.41 -1.14 -4.91 113.62 104.83 2djm n SER 13 Ca -0.40 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.10 2djm n SER 13 Cb 0.78 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.70 2djm n SER 13 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2djm s TYR 14 N -2.00 -0.35 0.17 7.33 -0.85 -1.26 -0.81 117.35 119.58 2djm s TYR 14 Ca 0.00 0.10 -0.14 0.00 -0.52 0.00 0.00 57.07 56.51 2djm s TYR 14 Cb 0.00 0.38 0.01 0.00 0.38 0.00 0.00 41.96 42.74 2djm s TYR 14 CO 0.00 -0.76 0.40 1.21 -1.52 0.00 0.00 175.55 174.89 2djm s ASN 15 N -2.73 -0.12 0.01 -0.18 3.84 0.15 -4.95 114.94 110.97 2djm s ASN 15 Ca 0.02 -0.63 0.06 0.00 0.21 0.00 0.00 52.86 52.52 2djm s ASN 15 Cb 0.01 0.50 -0.03 0.00 -0.55 0.00 0.00 41.25 41.18 2djm s ASN 15 CO -0.12 -0.96 -0.18 -0.47 -2.79 0.00 0.00 177.10 172.59 2djm s TYR 16 N -3.90 2.58 -0.27 0.43 5.04 -1.26 -2.06 117.35 117.90 2djm s TYR 16 Ca 0.11 -0.25 -0.02 0.00 -2.44 0.00 0.00 57.07 54.47 2djm s TYR 16 Cb 0.01 -1.51 0.12 0.00 0.35 0.00 0.00 41.96 40.93 2djm s TYR 16 CO -0.03 0.21 0.22 0.34 -1.34 0.00 0.00 175.55 174.95 2djm s ASP 17 N -1.18 2.31 0.61 4.32 -1.08 -1.03 -4.91 116.67 115.70 2djm s ASP 17 Ca 0.13 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.30 2djm s ASP 17 Cb -0.10 0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 2djm s ASP 17 CO 0.03 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.94 2djm n GLY 18 N 5.29 0.68 2.57 2.66 0.00 -1.26 -1.80 105.19 113.33 2djm n GLY 18 Ca -0.04 0.50 -0.28 0.00 0.00 0.00 0.00 46.02 46.19 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 2.92 -0.09 1.61 0.01 -1.26 -5.07 113.70 107.82 2djm s SER 19 Ca 0.00 -2.79 -0.08 0.00 1.31 0.00 0.00 55.95 54.39 2djm s SER 19 Cb 0.00 -0.75 0.03 0.00 0.21 0.00 0.00 66.02 65.51 2djm s SER 19 CO 0.00 -0.23 0.24 -0.89 0.41 0.00 0.00 173.24 172.77 2djm s THR 20 N 0.24 -0.01 -0.03 1.44 2.01 -0.74 -3.54 115.64 115.01 2djm s THR 20 Ca 0.23 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 2djm s THR 20 Cb -0.13 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 2djm s THR 20 CO -0.08 0.01 0.32 0.12 -0.69 0.00 0.00 174.62 174.30 2djm s PHE 21 N 0.29 3.68 -0.23 4.92 2.19 0.16 -2.48 117.98 126.51 2djm s PHE 21 Ca -0.01 0.83 -0.11 0.00 0.33 0.00 0.00 56.93 57.97 2djm s PHE 21 Cb -0.03 -2.17 0.08 0.00 -1.31 0.00 0.00 43.02 39.60 2djm s PHE 21 CO -0.01 0.67 0.53 -1.54 1.83 0.00 0.00 175.22 176.70 2djm s SER 22 N -1.11 -0.69 0.00 6.13 1.04 -0.87 0.92 113.70 119.11 2djm s SER 22 Ca 0.22 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.86 2djm s SER 22 Cb -0.15 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.32 2djm s SER 22 CO 0.11 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2djm n GLY 23 N 4.74 -0.68 3.54 7.32 0.00 -0.56 0.34 105.19 119.89 2djm n GLY 23 Ca -0.17 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.32 1.42 0.11 1.61 0.00 0.01 -1.68 119.74 120.88 2djm s LYS 24 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 55.97 55.40 2djm s LYS 24 Cb 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 37.83 38.39 2djm s LYS 24 CO 0.00 -0.63 -0.10 0.42 0.00 0.00 0.00 175.35 175.04 2djm s ILE 25 N -3.79 1.03 -0.18 3.79 1.01 0.25 -2.38 121.20 120.94 2djm s ILE 25 Ca 0.04 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 58.93 2djm s ILE 25 Cb -0.02 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 40.98 2djm s ILE 25 CO -0.07 -0.60 -0.09 -0.47 0.00 0.00 0.00 174.94 173.71 2djm s TYR 26 N -2.66 2.10 0.08 3.97 6.14 0.74 -0.91 117.35 126.81 2djm s TYR 26 Ca 0.09 -1.33 0.06 0.00 0.64 0.00 0.00 57.07 56.53 2djm s TYR 26 Cb -0.02 -1.51 -0.03 0.00 0.42 0.00 0.00 41.96 40.83 2djm s TYR 26 CO 0.00 -0.68 -0.17 0.14 0.64 0.00 0.00 175.55 175.49 2djm s VAL 27 N 1.50 1.32 0.47 3.14 -7.23 -1.13 0.54 120.40 119.02 2djm s VAL 27 Ca 0.01 -1.37 -0.19 0.00 -1.81 0.00 0.00 61.98 58.62 2djm s VAL 27 Cb -0.15 -1.24 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 2djm s VAL 27 CO -0.08 -0.15 0.96 -0.54 -0.31 0.00 0.00 175.10 174.97 2djm s LYS 28 N -1.76 4.09 -1.02 4.82 1.02 0.13 -2.61 119.74 124.41 2djm s LYS 28 Ca 0.01 1.02 -0.14 0.00 0.02 0.00 0.00 55.97 56.88 2djm s LYS 28 Cb -0.10 -2.17 0.20 0.00 -0.52 0.00 0.00 37.83 35.24 2djm s LYS 28 CO 0.03 -0.14 1.12 -0.80 -0.92 0.00 0.00 175.35 174.64 2djm s ASN 29 N -2.61 6.95 0.03 2.83 0.01 -1.26 -4.83 114.94 116.06 2djm s ASN 29 Ca 0.60 -2.84 -0.28 0.00 -0.71 0.00 0.00 52.86 49.63 2djm s ASN 29 Cb -0.09 -2.31 -0.17 0.00 0.41 0.00 0.00 41.25 39.09 2djm s ASN 29 CO 0.22 -0.67 1.31 0.40 -1.51 0.00 0.00 177.10 176.85 2djm h ILE 30 N 4.73 0.37 -1.14 0.60 1.08 -1.95 -3.45 117.51 117.75 2djm h ILE 30 Ca 0.19 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2djm h ILE 30 Cb 0.95 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2djm h ILE 30 CO 1.03 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 178.54 2djm n ALA 31 N -2.55 0.00 -0.02 1.87 0.00 -1.26 -5.12 120.51 113.44 2djm n ALA 31 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 2djm n ALA 31 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 0.00 0.00 -1.88 0.00 9.36 -1.26 -4.95 117.16 118.43 2djm n TYR 32 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 2djm n TYR 32 Cb 0.00 -0.25 -0.03 0.00 -0.63 0.00 0.00 39.34 38.43 2djm n TYR 32 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2djm s SER 33 N -5.97 5.88 0.38 2.98 0.15 -1.26 -4.96 113.70 110.90 2djm s SER 33 Ca -0.12 1.62 0.08 0.00 0.70 0.00 0.00 55.95 58.23 2djm s SER 33 Cb 0.03 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2djm s SER 33 CO 0.17 -1.66 0.17 -0.54 1.20 0.00 0.00 173.24 172.57 2djm s LYS 34 N 5.62 2.29 -0.24 5.44 -0.14 -1.26 -2.75 119.74 128.70 2djm s LYS 34 Ca 0.85 -1.70 -0.03 0.00 -1.36 0.00 0.00 55.97 53.74 2djm s LYS 34 Cb -0.27 -2.08 0.13 0.00 -1.68 0.00 0.00 37.83 33.92 2djm s LYS 34 CO 0.34 -0.01 0.40 -1.59 -0.76 0.00 0.00 175.35 173.72 2djm s LYS 35 N -3.88 0.36 -0.33 1.68 -2.85 0.16 -4.94 119.74 109.93 2djm s LYS 35 Ca 0.40 0.62 -0.09 0.00 -1.00 0.00 0.00 55.97 55.90 2djm s LYS 35 Cb 0.00 -0.33 0.02 0.00 -2.06 0.00 0.00 37.83 35.47 2djm s LYS 35 CO 0.23 -0.60 0.14 0.08 0.10 0.00 0.00 175.35 175.30 2djm s VAL 36 N 2.57 4.22 -0.28 1.79 1.01 -1.26 -2.56 120.40 125.89 2djm s VAL 36 Ca 0.12 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2djm s VAL 36 Cb -0.15 -3.28 0.07 0.00 0.00 0.00 0.00 36.38 33.01 2djm s VAL 36 CO -0.16 -0.09 -0.06 0.42 0.00 0.00 0.00 175.10 175.22 2djm s THR 37 N 1.51 2.33 -0.41 3.92 -4.23 -1.08 -1.79 115.64 115.90 2djm s THR 37 Ca 0.02 -1.74 -0.29 0.00 -1.18 0.00 0.00 61.69 58.50 2djm s THR 37 Cb -0.18 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.23 2djm s THR 37 CO 0.05 -0.16 1.32 -0.69 -0.54 0.00 0.00 174.62 174.60 2djm s VAL 38 N 1.09 4.03 -0.35 2.29 1.01 0.80 -1.06 120.40 128.21 2djm s VAL 38 Ca -0.05 1.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 2djm s VAL 38 Cb -0.20 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.88 2djm s VAL 38 CO -0.05 -0.77 0.21 0.68 0.00 0.00 0.00 175.10 175.17 2djm s VAL 39 N 4.99 4.87 0.01 2.92 -7.23 -1.11 -0.07 120.40 124.78 2djm s VAL 39 Ca 0.57 -0.49 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 2djm s VAL 39 Cb -0.12 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 2djm s VAL 39 CO 0.30 -0.07 -0.01 -0.72 -0.31 0.00 0.00 175.10 174.30 2djm s TYR 40 N 1.64 3.05 -0.71 2.82 -0.85 -0.54 -1.78 117.35 120.98 2djm s TYR 40 Ca 0.04 0.06 -0.24 0.00 -0.52 0.00 0.00 57.07 56.42 2djm s TYR 40 Cb -0.18 -1.65 0.06 0.00 0.38 0.00 0.00 41.96 40.57 2djm s TYR 40 CO 0.08 0.45 1.08 0.00 -1.52 0.00 0.00 175.55 175.64 2djm s ALA 41 N -1.10 3.01 1.00 9.51 0.00 0.35 -4.71 121.76 129.84 2djm s ALA 41 Ca 0.20 -1.78 -0.23 0.00 0.00 0.00 0.00 51.96 50.15 2djm s ALA 41 Cb -0.11 -4.00 -0.17 0.00 0.00 0.00 0.00 23.12 18.83 2djm s ALA 41 CO 0.11 -2.96 -1.17 -0.40 0.00 0.00 0.00 175.76 171.33 2djm n ASP 42 N 8.14 -4.42 0.00 0.00 5.68 -1.26 -1.04 116.55 123.66 2djm n ASP 42 Ca 0.01 0.09 0.01 0.00 -0.50 0.00 0.00 54.79 54.40 2djm n ASP 42 Cb 0.47 -0.63 0.08 0.00 -1.14 0.00 0.00 41.12 39.90 2djm n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2djm n GLY 43 N 3.46 -0.11 0.17 6.12 0.00 -1.24 -0.36 105.19 113.23 2djm n GLY 43 Ca -0.02 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.05 2djm n GLY 43 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2djm h SER 44 N 0.00 0.00 -1.93 1.61 0.87 -1.90 -3.46 113.55 108.74 2djm h SER 44 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2djm h SER 44 Cb 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2djm h SER 44 CO 0.00 0.27 -0.09 -0.67 -0.53 0.00 0.00 176.83 175.81 2djm n ASP 45 N -3.13 -2.34 -3.89 6.23 2.03 0.51 -5.06 116.55 110.90 2djm n ASP 45 Ca 0.02 -0.07 -0.11 0.00 0.52 0.00 0.00 54.79 55.15 2djm n ASP 45 Cb 0.64 -1.07 -0.11 0.00 -0.72 0.00 0.00 41.12 39.87 2djm n ASP 45 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2djm s ASN 46 N -3.09 0.04 -0.16 1.67 -0.87 -1.26 -5.07 114.94 106.21 2djm s ASN 46 Ca 0.04 -0.15 0.01 0.00 -1.57 0.00 0.00 52.86 51.19 2djm s ASN 46 Cb -0.02 0.17 0.02 0.00 -0.02 0.00 0.00 41.25 41.40 2djm s ASN 46 CO 0.09 -0.23 -0.17 0.86 -2.57 0.00 0.00 177.10 175.07 2djm s TRP 47 N -0.90 2.47 -1.15 2.20 -0.11 -1.26 -4.21 118.94 115.98 2djm s TRP 47 Ca -0.10 -1.41 0.10 0.00 1.22 0.00 0.00 56.10 55.91 2djm s TRP 47 Cb -0.06 -1.75 0.42 0.00 -1.50 0.00 0.00 33.47 30.58 2djm s TRP 47 CO 0.00 -0.72 1.23 -1.71 -4.62 0.00 0.00 176.95 171.14 2djm n ASN 48 N 4.62 3.05 0.00 5.86 5.15 -1.26 -4.87 115.26 127.81 2djm n ASN 48 Ca -0.19 -2.31 0.00 0.00 -0.60 0.00 0.00 54.58 51.48 2djm n ASN 48 Cb 0.50 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 2djm n ASN 48 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2djm n ASN 49 N 0.48 -1.99 -3.37 1.20 3.02 -1.26 -4.86 115.26 108.48 2djm n ASN 49 Ca 0.15 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.67 2djm n ASN 49 Cb 0.60 -1.95 0.02 0.00 -0.61 0.00 0.00 39.78 37.84 2djm n ASN 49 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2djm s ASN 50 N -2.21 0.01 -0.47 6.41 3.04 -1.26 -4.98 114.94 115.48 2djm s ASN 50 Ca 0.00 -0.66 0.00 0.00 0.04 0.00 0.00 52.86 52.24 2djm s ASN 50 Cb 0.00 0.48 0.00 0.00 -1.54 0.00 0.00 41.25 40.19 2djm s ASN 50 CO 0.00 -0.96 0.00 0.61 -3.04 0.00 0.00 177.10 173.71 2djm n GLY 51 N -0.72 0.31 2.70 1.21 0.00 -1.26 -4.92 105.19 102.51 2djm n GLY 51 Ca -0.02 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 2djm n GLY 51 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2djm n ASN 52 N 1.06 -1.81 -3.92 1.61 0.23 -1.26 -5.02 115.26 106.15 2djm n ASN 52 Ca -0.06 -2.70 -0.20 0.00 -0.53 0.00 0.00 54.58 51.09 2djm n ASN 52 Cb 0.45 1.43 -0.16 0.00 -2.08 0.00 0.00 39.78 39.42 2djm n ASN 52 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 2djm s ILE 53 N 0.17 0.59 -0.15 1.53 -1.16 -1.24 -1.46 121.20 119.47 2djm s ILE 53 Ca 0.19 -0.18 -0.02 0.00 -0.51 0.00 0.00 60.65 60.13 2djm s ILE 53 Cb 0.29 -0.59 -0.02 0.00 0.61 0.00 0.00 42.46 42.74 2djm s ILE 53 CO -0.09 0.23 -0.07 -0.63 -2.81 0.00 0.00 174.94 171.56 2djm s ILE 54 N 0.74 3.58 -0.82 2.00 -1.09 0.91 -4.90 121.20 121.61 2djm s ILE 54 Ca -0.10 -0.47 -0.24 0.00 -2.23 0.00 0.00 60.65 57.60 2djm s ILE 54 Cb -0.13 -2.55 0.05 0.00 -1.58 0.00 0.00 42.46 38.25 2djm s ILE 54 CO 0.01 0.50 1.26 0.00 -1.23 0.00 0.00 174.94 175.48 2djm s ALA 55 N 0.38 2.85 0.72 9.38 0.00 -1.26 -0.14 121.76 133.68 2djm s ALA 55 Ca -0.06 -1.81 -0.17 0.00 0.00 0.00 0.00 51.96 49.92 2djm s ALA 55 Cb -0.15 -4.25 -0.07 0.00 0.00 0.00 0.00 23.12 18.65 2djm s ALA 55 CO 0.04 -3.27 0.23 0.00 0.00 0.00 0.00 175.76 172.76 2djm n ALA 56 N 8.73 -2.33 -3.00 0.00 0.00 -0.74 -4.99 120.51 118.19 2djm n ALA 56 Ca 0.12 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 2djm n ALA 56 Cb 0.49 -1.68 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 2djm n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2djm s SER 57 N -1.33 3.79 0.39 0.00 0.15 -1.08 -4.76 113.70 110.85 2djm s SER 57 Ca 0.60 -0.36 -0.26 0.00 0.70 0.00 0.00 55.95 56.64 2djm s SER 57 Cb -0.36 -1.42 -0.09 0.00 -1.71 0.00 0.00 66.02 62.45 2djm s SER 57 CO 0.63 0.19 1.15 0.72 1.20 0.00 0.00 173.24 177.13 2djm s PHE 58 N 0.16 3.14 -0.17 3.44 -0.12 -1.26 0.18 117.98 123.35 2djm s PHE 58 Ca -0.09 1.57 0.04 0.00 -0.05 0.00 0.00 56.93 58.41 2djm s PHE 58 Cb -0.15 -3.36 -0.13 0.00 -0.63 0.00 0.00 43.02 38.75 2djm s PHE 58 CO 0.05 -1.18 -0.11 0.45 -0.05 0.00 0.00 175.22 174.39 2djm n SER 59 N 0.17 2.37 0.00 1.98 2.88 0.28 -4.77 113.62 116.53 2djm n SER 59 Ca 0.04 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2djm n SER 59 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 2.53 1.99 3.66 0.46 0.00 -1.13 -4.99 105.19 107.71 2djm n GLY 60 Ca -0.29 -1.63 -0.45 0.00 0.00 0.00 0.00 46.02 43.65 2djm n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2djm n PRO 61 N -1.71 1.91 -2.84 1.61 -0.02 -1.26 -1.71 135.00 130.98 2djm n PRO 61 Ca 0.00 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 2djm n PRO 61 Cb 0.00 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.12 2djm n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2djm s ILE 62 N -0.05 4.77 -0.04 4.25 1.01 0.20 -4.88 121.20 126.46 2djm s ILE 62 Ca 0.69 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.64 2djm s ILE 62 Cb -0.68 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 37.53 2djm s ILE 62 CO 0.50 -0.17 1.89 -0.94 0.00 0.00 0.00 174.94 176.22 2djm s SER 63 N 1.40 6.38 0.00 3.58 1.04 -1.26 -1.38 113.70 123.46 2djm s SER 63 Ca 0.37 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.18 2djm s SER 63 Cb -0.15 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2djm s SER 63 CO 0.09 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2djm n GLY 64 N 4.59 1.57 3.42 7.32 0.00 -1.26 -5.08 105.19 115.76 2djm n GLY 64 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2djm n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2djm n SER 65 N 0.00 -1.61 -1.26 1.61 7.64 -0.48 -5.05 113.62 114.48 2djm n SER 65 Ca 0.00 -2.78 -0.06 0.00 1.01 0.00 0.00 58.87 57.04 2djm n SER 65 Cb 0.00 2.87 0.19 0.00 -1.01 0.00 0.00 64.21 66.26 2djm n SER 65 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2djm n ASN 66 N -1.59 2.59 -4.49 6.43 5.15 -1.26 -4.41 115.26 117.67 2djm n ASN 66 Ca -0.02 -3.79 -0.20 0.00 -0.60 0.00 0.00 54.58 49.97 2djm n ASN 66 Cb 0.58 -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 -1.22 1.40 0.00 0.00 177.26 177.44 2djm n TYR 67 N -1.12 -1.53 -4.20 1.20 4.01 -1.26 -4.76 117.16 109.49 2djm n TYR 67 Ca 0.36 -1.92 -0.29 0.00 -0.16 0.00 0.00 57.90 55.88 2djm n TYR 67 Cb 1.08 -0.43 -0.09 0.00 -0.31 0.00 0.00 39.34 39.58 2djm n TYR 67 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2djm s GLU 68 N -4.11 2.25 -0.18 -0.72 2.56 -1.07 -0.63 118.70 116.80 2djm s GLU 68 Ca 0.40 -1.01 0.00 0.00 0.00 0.00 0.00 54.97 54.36 2djm s GLU 68 Cb -0.03 -2.35 0.04 0.00 2.00 0.00 0.00 34.13 33.78 2djm s GLU 68 CO 0.25 0.50 -0.11 -0.47 -0.56 0.00 0.00 175.26 174.88 2djm s TYR 69 N -1.34 2.21 -0.13 5.30 5.04 -0.70 -2.82 117.35 124.91 2djm s TYR 69 Ca 0.23 -1.38 -0.03 0.00 -2.44 0.00 0.00 57.07 53.46 2djm s TYR 69 Cb -0.11 -1.57 -0.03 0.00 0.35 0.00 0.00 41.96 40.61 2djm s TYR 69 CO 0.15 -0.70 -0.03 -1.58 -1.34 0.00 0.00 175.55 172.06 2djm s TRP 70 N 1.47 3.04 0.02 4.97 0.52 -0.09 0.10 118.94 128.97 2djm s TRP 70 Ca 0.01 -0.14 0.00 0.00 0.02 0.00 0.00 56.10 55.99 2djm s TRP 70 Cb -0.15 -1.89 -0.02 0.00 -1.15 0.00 0.00 33.47 30.26 2djm s TRP 70 CO -0.09 0.13 -0.03 0.95 0.02 0.00 0.00 176.95 177.93 2djm s THR 71 N -0.06 0.12 -0.21 2.01 -4.23 0.13 0.87 115.64 114.26 2djm s THR 71 Ca 0.02 -0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 2djm s THR 71 Cb -0.13 -0.24 0.16 0.00 1.34 0.00 0.00 72.50 73.62 2djm s THR 71 CO 0.02 -0.42 1.18 0.72 -0.54 0.00 0.00 174.62 175.59 2djm s PHE 72 N -1.24 -0.19 -0.05 3.99 -0.71 -0.68 -2.64 117.98 116.45 2djm s PHE 72 Ca -0.13 0.30 0.05 0.00 -1.04 0.00 0.00 56.93 56.11 2djm s PHE 72 Cb -0.09 0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 2djm s PHE 72 CO -0.01 -0.19 -0.21 -1.54 -1.34 0.00 0.00 175.22 171.93 2djm s SER 73 N -1.25 3.42 -0.10 1.98 1.04 -1.26 -1.49 113.70 116.03 2djm s SER 73 Ca 0.05 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2djm s SER 73 Cb -0.01 -0.76 0.02 0.00 0.10 0.00 0.00 66.02 65.37 2djm s SER 73 CO -0.04 0.29 -0.08 0.00 0.98 0.00 0.00 173.24 174.39 2djm s ALA 74 N -0.41 1.30 -0.63 5.32 0.00 0.26 -4.96 121.76 122.64 2djm s ALA 74 Ca 0.04 -0.51 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 2djm s ALA 74 Cb -0.12 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 2djm s ALA 74 CO 0.02 -0.31 1.87 -1.12 0.00 0.00 0.00 175.76 176.22 2djm s SER 75 N 1.49 5.25 0.08 0.00 0.01 -1.26 0.35 113.70 119.62 2djm s SER 75 Ca 0.01 0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.58 2djm s SER 75 Cb -0.13 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2djm s SER 75 CO -0.06 -2.41 0.13 0.68 0.41 0.00 0.00 173.24 172.00 2djm s VAL 76 N 9.17 4.87 -0.55 3.43 -7.23 -1.23 -4.95 120.40 123.91 2djm s VAL 76 Ca 0.68 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.23 2djm s VAL 76 Cb -0.12 -3.37 0.48 0.00 0.56 0.00 0.00 36.38 33.93 2djm s VAL 76 CO 0.19 0.12 1.83 2.29 -0.31 0.00 0.00 175.10 179.22 2djm n LYS 77 N 0.35 2.75 0.00 4.82 0.00 -1.26 -4.47 118.16 120.35 2djm n LYS 77 Ca -0.07 -3.42 0.00 0.00 -0.00 0.00 0.00 58.31 54.82 2djm n LYS 77 Cb 0.51 -2.24 0.00 0.00 -0.00 0.00 0.00 35.03 33.30 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 -0.92 2.95 3.35 2.58 0.00 -1.26 -4.72 105.19 107.17 2djm n GLY 78 Ca 0.57 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.98 0.05 0.00 -0.61 2.07 -1.26 -3.67 121.20 115.79 2djm s ILE 79 Ca 0.00 -0.38 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 2djm s ILE 79 Cb 0.00 -1.02 0.00 0.00 0.13 0.00 0.00 42.46 41.57 2djm s ILE 79 CO 0.00 -0.21 0.00 1.17 -1.91 0.00 0.00 174.94 173.99 2djm n LYS 80 N 0.23 0.00 -4.06 3.50 3.00 -0.20 -4.14 118.16 116.48 2djm n LYS 80 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.05 2djm n LYS 80 Cb 0.61 -0.13 -0.09 0.00 0.00 0.00 0.00 35.03 35.42 2djm n LYS 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2djm s GLU 81 N -1.74 0.80 0.08 1.64 2.02 -0.68 -0.01 118.70 120.81 2djm s GLU 81 Ca 0.00 -1.25 -0.25 0.00 0.02 0.00 0.00 54.97 53.48 2djm s GLU 81 Cb 0.00 0.26 0.09 0.00 0.10 0.00 0.00 34.13 34.57 2djm s GLU 81 CO 0.00 -0.21 1.17 -0.59 0.02 0.00 0.00 175.26 175.65 2djm s PHE 82 N -3.96 0.05 -0.21 1.61 -0.71 -0.68 0.13 117.98 114.22 2djm s PHE 82 Ca 0.13 -0.30 -0.27 0.00 -1.04 0.00 0.00 56.93 55.45 2djm s PHE 82 Cb 0.07 0.63 0.08 0.00 -1.21 0.00 0.00 43.02 42.58 2djm s PHE 82 CO -0.05 -0.59 0.74 1.52 -1.34 0.00 0.00 175.22 175.50 2djm s TYR 83 N -2.08 -0.71 -0.07 3.49 -0.85 -0.73 0.16 117.35 116.55 2djm s TYR 83 Ca 0.26 1.60 -0.19 0.00 -0.52 0.00 0.00 57.07 58.22 2djm s TYR 83 Cb -0.01 0.32 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 2djm s TYR 83 CO 0.02 -0.43 0.53 0.42 -1.52 0.00 0.00 175.55 174.57 2djm s ILE 84 N -0.12 5.07 -0.50 -3.49 -1.09 0.12 -2.74 121.20 118.44 2djm s ILE 84 Ca -0.03 1.09 -0.22 0.00 -2.23 0.00 0.00 60.65 59.26 2djm s ILE 84 Cb -0.03 -3.87 0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2djm s ILE 84 CO 0.03 0.37 0.78 -0.54 -1.23 0.00 0.00 174.94 174.35 2djm s LYS 85 N 0.24 3.27 -0.70 2.79 1.02 -0.22 -0.83 119.74 125.31 2djm s LYS 85 Ca 0.29 -0.44 -0.23 0.00 0.02 0.00 0.00 55.97 55.60 2djm s LYS 85 Cb -0.16 -4.03 0.06 0.00 -0.52 0.00 0.00 37.83 33.18 2djm s LYS 85 CO 0.14 -1.28 1.06 -0.47 -0.92 0.00 0.00 175.35 173.88 2djm s TYR 86 N 3.29 2.60 -0.16 3.18 5.04 -0.99 -2.65 117.35 127.65 2djm s TYR 86 Ca 0.25 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 2djm s TYR 86 Cb -0.15 -4.39 0.00 0.00 0.35 0.00 0.00 41.96 37.78 2djm s TYR 86 CO 0.18 -1.75 -0.15 -2.00 -1.34 0.00 0.00 175.55 170.48 2djm s GLU 87 N 4.42 3.18 0.29 4.97 2.12 -1.06 0.01 118.70 132.63 2djm s GLU 87 Ca 0.26 -0.76 0.07 0.00 0.36 0.00 0.00 54.97 54.91 2djm s GLU 87 Cb -0.14 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 2djm s GLU 87 CO 0.10 -0.04 0.29 0.08 -0.54 0.00 0.00 175.26 175.14 2djm s VAL 88 N 0.94 4.13 -0.71 3.70 1.01 0.18 -0.67 120.40 128.99 2djm s VAL 88 Ca -0.03 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 60.72 2djm s VAL 88 Cb -0.15 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.93 2djm s VAL 88 CO -0.02 -0.26 1.18 -0.24 0.00 0.00 0.00 175.10 175.76 2djm n SER 89 N -1.34 0.17 0.00 3.32 2.88 -1.11 -2.61 113.62 114.92 2djm n SER 89 Ca -0.05 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2djm n SER 89 Cb 0.59 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.42 0.19 3.17 0.46 0.00 -1.26 -5.13 105.19 101.20 2djm n GLY 90 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.88 -0.04 1.61 2.47 -1.07 -5.17 119.74 118.41 2djm s LYS 91 Ca 0.00 -1.31 -0.06 0.00 -1.56 0.00 0.00 55.97 53.04 2djm s LYS 91 Cb 0.00 0.26 0.01 0.00 -1.46 0.00 0.00 37.83 36.64 2djm s LYS 91 CO 0.00 -0.25 0.16 0.99 0.16 0.00 0.00 175.35 176.41 2djm s THR 92 N -3.99 0.02 0.00 3.43 2.01 -1.26 0.50 115.64 116.36 2djm s THR 92 Ca 0.17 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2djm s THR 92 Cb 0.07 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.28 2djm s THR 92 CO -0.02 -0.11 0.00 -1.22 -0.69 0.00 0.00 174.62 172.58 2djm n TYR 93 N 2.54 -0.06 -3.83 4.92 4.01 0.10 -5.01 117.16 119.83 2djm n TYR 93 Ca -0.15 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.47 2djm n TYR 93 Cb 0.58 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.50 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 -2.29 -0.11 -0.36 -0.72 2.02 -1.26 -2.34 117.35 112.29 2djm s TYR 94 Ca 0.00 0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.99 2djm s TYR 94 Cb 0.00 0.03 0.10 0.00 -0.40 0.00 0.00 41.96 41.69 2djm s TYR 94 CO 0.00 -0.17 0.08 0.34 -1.57 0.00 0.00 175.55 174.24 2djm s ASP 95 N -0.46 4.57 0.00 2.29 2.15 -0.01 -4.88 116.67 120.34 2djm s ASP 95 Ca -0.05 -2.18 0.00 0.00 0.43 0.00 0.00 52.55 50.75 2djm s ASP 95 Cb -0.04 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 41.09 2djm s ASP 95 CO 0.01 -0.37 0.00 -0.46 -0.17 0.00 0.00 175.17 174.18 2djm n ASN 96 N 4.21 1.60 0.00 -0.34 0.23 -1.26 0.12 115.26 119.81 2djm n ASN 96 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 2djm n ASN 96 Cb 0.41 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 2djm n ASN 96 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2djm n ASN 97 N -2.65 0.00 0.00 0.53 6.94 -1.26 -2.35 115.26 116.47 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 0.42 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 2djm n ASN 97 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2djm n ASN 98 N 0.00 0.00 -1.72 0.53 4.05 -1.26 -4.97 115.26 111.89 2djm n ASN 98 Ca 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.02 2djm n ASN 98 Cb 0.00 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.04 2djm n ASN 98 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 2djm n SER 99 N 0.00 -0.42 0.00 1.20 2.88 -1.26 -5.09 113.62 110.93 2djm n SER 99 Ca 0.00 -1.28 0.00 0.00 -1.33 0.00 0.00 58.87 56.26 2djm n SER 99 Cb 0.00 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2djm n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2djm n ALA 100 N -0.41 0.74 0.00 -1.46 0.00 -1.26 -5.16 120.51 112.97 2djm n ALA 100 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2djm n ALA 100 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2djm n ALA 100 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2djm n ASN 101 N 0.00 0.00 -4.43 0.00 0.23 -1.25 -4.88 115.26 104.93 2djm n ASN 101 Ca 0.00 0.00 -0.44 0.00 -0.53 0.00 0.00 54.58 53.61 2djm n ASN 101 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2djm n ASN 101 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2djm s TYR 102 N -2.00 2.81 -0.54 -2.53 2.02 0.12 -4.64 117.35 112.59 2djm s TYR 102 Ca 0.00 -0.66 -0.28 0.00 -0.37 0.00 0.00 57.07 55.77 2djm s TYR 102 Cb 0.00 -4.15 0.03 0.00 -0.40 0.00 0.00 41.96 37.44 2djm s TYR 102 CO 0.00 -1.48 1.13 1.14 -1.57 0.00 0.00 175.55 174.77 2djm s GLN 103 N 3.53 3.56 -0.35 -0.62 0.00 -1.26 -1.68 119.66 122.83 2djm s GLN 103 Ca 0.19 0.28 -0.20 0.00 -0.00 0.00 0.00 55.36 55.63 2djm s GLN 103 Cb -0.19 -3.98 0.00 0.00 0.00 0.00 0.00 33.01 28.84 2djm s GLN 103 CO 0.09 -1.54 0.61 0.08 0.00 0.00 0.00 175.29 174.53 2djm s VAL 104 N 4.62 4.92 -0.54 3.63 1.01 0.98 -4.97 120.40 130.05 2djm s VAL 104 Ca 0.43 0.54 -0.27 0.00 0.00 0.00 0.00 61.98 62.68 2djm s VAL 104 Cb -0.08 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2djm s VAL 104 CO 0.27 -0.28 1.82 -0.44 0.00 0.00 0.00 175.10 176.47 2djm s SER 105 N 1.78 5.45 0.00 3.32 0.01 -1.26 -4.38 113.70 118.61 2djm s SER 105 Ca 0.23 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2djm s SER 105 Cb -0.15 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2djm s SER 105 CO 0.14 -2.19 0.44 0.41 0.41 0.00 0.00 173.24 172.45