#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 6.12 -0.11 0.00 0.01 -1.26 -4.98 113.70 113.48 2djm s SER 2 Ca 0.00 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 56.59 2djm s SER 2 Cb 0.00 -2.17 -0.17 0.00 0.21 0.00 0.00 66.02 63.89 2djm s SER 2 CO 0.00 -0.34 0.57 0.40 0.41 0.00 0.00 173.24 174.27 2djm h ILE 3 N 5.56 1.14 -3.17 1.44 1.08 -2.02 -3.45 117.51 118.09 2djm h ILE 3 Ca -0.30 -1.77 -0.58 0.00 -0.39 0.00 0.00 64.86 61.82 2djm h ILE 3 Cb 1.14 2.12 -0.05 0.00 -3.07 0.00 0.00 36.82 36.96 2djm h ILE 3 CO 0.69 0.37 -0.11 -2.16 -0.69 0.00 0.00 178.15 176.25 2djm s PRO 4 N -2.22 4.06 0.00 2.37 0.05 -1.26 -4.94 135.00 133.06 2djm s PRO 4 Ca -0.12 0.57 0.00 0.00 0.05 0.00 0.00 61.00 61.50 2djm s PRO 4 Cb -0.02 -3.17 0.00 0.00 0.05 0.00 0.00 34.50 31.36 2djm s PRO 4 CO 0.46 0.63 0.00 0.45 0.05 0.00 0.00 177.00 178.59 2djm n SER 5 N 1.57 0.00 0.00 6.66 2.88 -1.26 -5.04 113.62 118.43 2djm n SER 5 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2djm n SER 5 Cb 0.51 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 2djm n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2djm n SER 6 N -2.29 1.59 -4.77 -3.46 7.64 -1.26 -5.04 113.62 106.03 2djm n SER 6 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 2djm n SER 6 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2djm n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djm s ALA 7 N -1.88 3.47 -0.58 -0.43 0.00 -1.26 -4.95 121.76 116.12 2djm s ALA 7 Ca 0.00 0.12 0.25 0.00 0.00 0.00 0.00 51.96 52.33 2djm s ALA 7 Cb 0.00 -2.80 0.53 0.00 0.00 0.00 0.00 23.12 20.85 2djm s ALA 7 CO 0.00 0.20 1.61 0.77 0.00 0.00 0.00 175.76 178.33 2djm h SER 8 N 5.32 0.00 -4.96 0.00 0.02 -1.96 -3.47 113.55 108.50 2djm h SER 8 Ca -0.46 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.32 2djm h SER 8 Cb 1.20 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.54 2djm h SER 8 CO 0.68 0.01 -0.48 0.54 -1.14 0.00 0.00 176.83 176.45 2djm s VAL 9 N -3.17 0.08 -0.06 2.27 0.11 -1.26 -0.17 120.40 118.20 2djm s VAL 9 Ca 0.08 -0.67 -0.03 0.00 -2.93 0.00 0.00 61.98 58.43 2djm s VAL 9 Cb 0.10 -0.44 0.03 0.00 -1.53 0.00 0.00 36.38 34.54 2djm s VAL 9 CO 0.65 -0.37 0.14 -1.58 -3.33 0.00 0.00 175.10 170.61 2djm s GLN 10 N -1.37 0.09 0.16 1.54 0.74 0.71 -4.89 119.66 116.66 2djm s GLN 10 Ca -0.14 0.34 -0.31 0.00 0.05 0.00 0.00 55.36 55.30 2djm s GLN 10 Cb -0.07 -0.15 -0.08 0.00 1.10 0.00 0.00 33.01 33.80 2djm s GLN 10 CO 0.02 -0.15 1.34 -1.17 -0.55 0.00 0.00 175.29 174.78 2djm s LEU 11 N 1.03 4.40 -0.09 3.68 2.96 -1.26 -1.15 118.68 128.25 2djm s LEU 11 Ca -0.08 2.36 -0.00 0.00 -0.22 0.00 0.00 54.13 56.19 2djm s LEU 11 Cb -0.10 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 2djm s LEU 11 CO -0.05 -0.57 -0.00 -0.78 -1.32 0.00 0.00 176.35 173.62 2djm h ASP 12 N 5.97 0.00 -4.51 3.68 3.58 -1.80 -3.45 116.42 119.88 2djm h ASP 12 Ca -0.44 0.00 0.31 0.00 0.42 0.00 0.00 57.03 57.32 2djm h ASP 12 Cb 1.21 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.08 2djm h ASP 12 CO 0.81 0.45 0.91 -0.94 -2.88 0.00 0.00 179.24 177.59 2djm s SER 13 N -5.29 -0.06 0.19 2.28 1.04 -1.01 -5.01 113.70 105.84 2djm s SER 13 Ca -0.00 -0.02 -0.20 0.00 0.48 0.00 0.00 55.95 56.21 2djm s SER 13 Cb 0.00 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.24 2djm s SER 13 CO 0.00 -0.13 0.58 -0.72 0.98 0.00 0.00 173.24 173.96 2djm s TYR 14 N -2.22 -0.31 0.13 5.02 -0.85 -1.26 -0.16 117.35 117.69 2djm s TYR 14 Ca 0.12 0.01 -0.10 0.00 -0.52 0.00 0.00 57.07 56.57 2djm s TYR 14 Cb 0.01 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.86 2djm s TYR 14 CO -0.04 -0.94 0.27 1.21 -1.52 0.00 0.00 175.55 174.54 2djm s ASN 15 N -2.83 0.02 0.02 -0.18 2.47 0.76 -4.95 114.94 110.25 2djm s ASN 15 Ca 0.06 -0.66 0.07 0.00 0.42 0.00 0.00 52.86 52.74 2djm s ASN 15 Cb -0.02 0.41 -0.02 0.00 -1.45 0.00 0.00 41.25 40.17 2djm s ASN 15 CO -0.06 -0.82 -0.20 -0.47 -3.72 0.00 0.00 177.10 171.82 2djm s TYR 16 N -3.89 1.81 -0.29 0.43 5.04 -1.26 -2.42 117.35 116.77 2djm s TYR 16 Ca 0.09 -0.36 -0.13 0.00 -2.44 0.00 0.00 57.07 54.23 2djm s TYR 16 Cb 0.04 -1.11 0.12 0.00 0.35 0.00 0.00 41.96 41.35 2djm s TYR 16 CO -0.07 0.04 0.71 0.34 -1.34 0.00 0.00 175.55 175.23 2djm s ASP 17 N -0.89 -1.00 1.30 4.32 2.15 -1.11 -4.96 116.67 116.47 2djm s ASP 17 Ca 0.08 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.52 2djm s ASP 17 Cb -0.08 1.88 0.00 0.00 -0.30 0.00 0.00 42.92 44.41 2djm s ASP 17 CO 0.01 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2djm n GLY 18 N 4.92 0.72 2.47 2.66 0.00 -1.26 -1.74 105.19 112.96 2djm n GLY 18 Ca -0.15 0.57 -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 -0.45 0.00 0.00 0.00 173.32 172.87 2djm s SER 19 N -4.00 2.13 -0.10 1.61 0.15 -1.26 -5.10 113.70 107.13 2djm s SER 19 Ca 0.00 -2.93 -0.10 0.00 0.70 0.00 0.00 55.95 53.62 2djm s SER 19 Cb 0.00 -0.56 0.03 0.00 -1.71 0.00 0.00 66.02 63.78 2djm s SER 19 CO 0.00 -0.20 0.29 -0.89 1.20 0.00 0.00 173.24 173.64 2djm s THR 20 N 0.16 0.00 -0.24 6.45 2.01 -0.71 -4.05 115.64 119.27 2djm s THR 20 Ca 0.28 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.25 2djm s THR 20 Cb -0.04 -0.42 0.07 0.00 0.01 0.00 0.00 72.50 72.12 2djm s THR 20 CO -0.14 -0.02 -0.01 0.12 -0.69 0.00 0.00 174.62 173.88 2djm s PHE 21 N 0.05 2.08 0.03 4.92 5.36 0.45 -2.77 117.98 128.10 2djm s PHE 21 Ca -0.01 -1.62 0.01 0.00 -0.96 0.00 0.00 56.93 54.35 2djm s PHE 21 Cb -0.02 -1.55 -0.02 0.00 -0.34 0.00 0.00 43.02 41.09 2djm s PHE 21 CO 0.01 -0.76 -0.06 -1.54 -1.46 0.00 0.00 175.22 171.41 2djm s SER 22 N 1.50 0.64 0.00 6.13 1.04 -1.01 -1.15 113.70 120.84 2djm s SER 22 Ca -0.02 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2djm s SER 22 Cb -0.18 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2djm s SER 22 CO -0.09 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2djm n GLY 23 N 1.69 1.21 3.73 7.32 0.00 0.13 -0.17 105.19 119.10 2djm n GLY 23 Ca -0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 3.62 1.30 0.06 1.61 -2.85 0.77 -1.21 119.74 123.04 2djm s LYS 24 Ca 0.00 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 2djm s LYS 24 Cb 0.00 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2djm s LYS 24 CO 0.00 -0.59 -0.04 0.42 0.10 0.00 0.00 175.35 175.24 2djm s ILE 25 N -3.44 0.36 -0.34 3.79 1.01 0.12 -2.41 121.20 120.28 2djm s ILE 25 Ca 0.10 -1.69 -0.00 0.00 0.00 0.00 0.00 60.65 59.06 2djm s ILE 25 Cb -0.02 -1.36 0.11 0.00 0.01 0.00 0.00 42.46 41.20 2djm s ILE 25 CO 0.01 -0.87 0.14 -0.47 0.00 0.00 0.00 174.94 173.75 2djm s TYR 26 N -3.38 1.54 0.04 3.97 6.14 -0.30 -1.25 117.35 124.10 2djm s TYR 26 Ca 0.05 -1.77 0.02 0.00 0.64 0.00 0.00 57.07 56.00 2djm s TYR 26 Cb 0.04 -1.60 -0.02 0.00 0.42 0.00 0.00 41.96 40.80 2djm s TYR 26 CO -0.07 -0.85 -0.07 0.14 0.64 0.00 0.00 175.55 175.34 2djm s VAL 27 N 1.38 0.51 -0.17 3.14 -7.23 -1.12 -0.20 120.40 116.71 2djm s VAL 27 Ca 0.12 -1.02 -0.09 0.00 -1.81 0.00 0.00 61.98 59.18 2djm s VAL 27 Cb -0.19 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.13 2djm s VAL 27 CO -0.19 -0.35 0.15 -0.75 -0.31 0.00 0.00 175.10 173.65 2djm s LYS 28 N -1.48 3.95 -0.25 4.82 2.20 0.75 0.43 119.74 130.16 2djm s LYS 28 Ca -0.09 -0.15 -0.22 0.00 -0.36 0.00 0.00 55.97 55.15 2djm s LYS 28 Cb -0.09 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 2djm s LYS 28 CO 0.00 0.46 0.71 -0.80 -0.36 0.00 0.00 175.35 175.36 2djm s ASN 29 N -0.12 6.67 0.12 1.43 0.01 -1.26 -4.81 114.94 116.99 2djm s ASN 29 Ca 0.11 0.82 -0.16 0.00 -0.71 0.00 0.00 52.86 52.92 2djm s ASN 29 Cb -0.12 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 2djm s ASN 29 CO 0.01 -0.43 1.66 0.40 -1.51 0.00 0.00 177.10 177.22 2djm h ILE 30 N 5.42 1.20 -3.89 0.60 1.08 -1.97 -3.43 117.51 116.53 2djm h ILE 30 Ca -0.25 -0.64 -0.27 0.00 -0.39 0.00 0.00 64.86 63.31 2djm h ILE 30 Cb 1.11 0.93 -0.25 0.00 -3.07 0.00 0.00 36.82 35.54 2djm h ILE 30 CO 0.81 0.23 -0.73 0.00 -0.69 0.00 0.00 178.15 177.76 2djm s ALA 31 N -5.47 0.32 0.21 1.87 0.00 -1.26 -5.08 121.76 112.35 2djm s ALA 31 Ca -0.13 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 2djm s ALA 31 Cb 0.10 -0.01 0.15 0.00 0.00 0.00 0.00 23.12 23.35 2djm s ALA 31 CO 0.75 0.01 1.87 -0.92 0.00 0.00 0.00 175.76 177.48 2djm h TYR 32 N 5.48 0.94 -0.01 0.00 3.20 -2.01 -3.24 116.97 121.33 2djm h TYR 32 Ca -0.29 0.02 -0.71 0.00 3.14 0.00 0.00 58.73 60.88 2djm h TYR 32 Cb 1.20 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 2djm h TYR 32 CO 0.50 0.60 3.17 0.43 -1.64 0.00 0.00 178.16 181.22 2djm n SER 33 N -4.56 4.15 -3.26 -2.11 7.64 -1.26 -4.92 113.62 109.31 2djm n SER 33 Ca 0.07 -2.83 -0.14 0.00 1.01 0.00 0.00 58.87 56.98 2djm n SER 33 Cb 0.02 -1.65 0.09 0.00 -1.01 0.00 0.00 64.21 61.66 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 5.94 -0.19 -3.70 1.43 4.76 -1.23 -4.74 118.16 120.44 2djm n LYS 34 Ca 0.53 -1.35 -0.12 0.00 -2.87 0.00 0.00 58.31 54.51 2djm n LYS 34 Cb 0.38 -0.54 -0.12 0.00 -1.84 0.00 0.00 35.03 32.91 2djm n LYS 34 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2djm s LYS 35 N -4.21 0.25 -0.17 1.97 -2.85 -0.88 -5.05 119.74 108.80 2djm s LYS 35 Ca 0.39 0.69 0.01 0.00 -1.00 0.00 0.00 55.97 56.07 2djm s LYS 35 Cb -0.02 -0.03 0.02 0.00 -2.06 0.00 0.00 37.83 35.74 2djm s LYS 35 CO 0.27 -0.20 -0.20 0.08 0.10 0.00 0.00 175.35 175.39 2djm s VAL 36 N 1.71 2.11 -0.15 1.79 1.01 -1.26 -2.05 120.40 123.56 2djm s VAL 36 Ca -0.06 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 2djm s VAL 36 Cb -0.10 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2djm s VAL 36 CO -0.10 0.54 -0.08 0.42 0.00 0.00 0.00 175.10 175.88 2djm s THR 37 N 1.16 1.19 -0.05 3.92 -4.23 -1.12 -1.22 115.64 115.30 2djm s THR 37 Ca 0.02 -0.53 -0.27 0.00 -1.18 0.00 0.00 61.69 59.73 2djm s THR 37 Cb -0.14 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.42 2djm s THR 37 CO -0.10 0.28 0.86 -0.69 -0.54 0.00 0.00 174.62 174.43 2djm s VAL 38 N 1.62 4.93 -0.13 2.29 1.01 0.10 -1.16 120.40 129.07 2djm s VAL 38 Ca 0.03 1.79 0.02 0.00 0.00 0.00 0.00 61.98 63.81 2djm s VAL 38 Cb -0.14 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.06 2djm s VAL 38 CO -0.08 0.17 -0.19 0.68 0.00 0.00 0.00 175.10 175.68 2djm s VAL 39 N 1.09 1.81 0.12 2.92 -7.23 -1.03 -0.14 120.40 117.93 2djm s VAL 39 Ca 0.45 -0.83 0.09 0.00 -1.81 0.00 0.00 61.98 59.88 2djm s VAL 39 Cb -0.19 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2djm s VAL 39 CO 0.22 0.50 -0.17 -0.72 -0.31 0.00 0.00 175.10 174.62 2djm s TYR 40 N 0.91 2.57 -1.58 2.82 -0.85 -0.65 -1.35 117.35 119.22 2djm s TYR 40 Ca -0.06 -0.25 -0.11 0.00 -0.52 0.00 0.00 57.07 56.13 2djm s TYR 40 Cb -0.15 -1.36 -0.05 0.00 0.38 0.00 0.00 41.96 40.78 2djm s TYR 40 CO -0.02 0.39 2.79 0.00 -1.52 0.00 0.00 175.55 177.19 2djm n ALA 41 N 0.78 7.13 0.00 9.51 0.00 0.39 -4.80 120.51 133.52 2djm n ALA 41 Ca -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 53.44 49.66 2djm n ALA 41 Cb 0.53 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.59 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 4.02 0.00 -0.54 0.00 2.03 -1.23 -1.80 116.55 119.03 2djm n ASP 42 Ca 0.73 0.00 0.06 0.00 0.52 0.00 0.00 54.79 56.10 2djm n ASP 42 Cb 0.26 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.00 0.20 0.01 0.27 0.00 -1.26 0.13 105.19 104.54 2djm n GLY 43 Ca 0.00 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.73 2djm n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2djm n SER 44 N 0.71 0.87 -1.58 1.61 2.88 -1.22 -4.55 113.62 112.34 2djm n SER 44 Ca 0.08 -0.24 -0.02 0.00 -1.33 0.00 0.00 58.87 57.36 2djm n SER 44 Cb 0.34 1.60 0.01 0.00 -0.75 0.00 0.00 64.21 65.41 2djm n SER 44 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2djm n ASP 45 N -1.93 -2.39 -3.63 -3.46 2.03 -0.74 -5.07 116.55 101.35 2djm n ASP 45 Ca -0.02 -0.09 -0.14 0.00 0.52 0.00 0.00 54.79 55.06 2djm n ASP 45 Cb 0.42 -1.15 -0.07 0.00 -0.72 0.00 0.00 41.12 39.59 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 -3.11 -0.69 -0.95 1.67 3.84 -1.24 -5.03 114.94 109.43 2djm s ASN 46 Ca 0.04 1.24 -0.05 0.00 0.21 0.00 0.00 52.86 54.30 2djm s ASN 46 Cb -0.00 1.24 0.24 0.00 -0.55 0.00 0.00 41.25 42.17 2djm s ASN 46 CO 0.10 -0.29 0.88 0.26 -2.79 0.00 0.00 177.10 175.26 2djm s TRP 47 N 0.11 3.99 0.34 0.43 0.52 -1.26 -3.55 118.94 119.52 2djm s TRP 47 Ca -0.02 -2.84 -0.09 0.00 0.02 0.00 0.00 56.10 53.18 2djm s TRP 47 Cb -0.04 -3.48 -0.06 0.00 -1.15 0.00 0.00 33.47 28.73 2djm s TRP 47 CO 0.02 -0.83 0.67 1.21 0.02 0.00 0.00 176.95 178.04 2djm s ASN 48 N 0.55 6.53 0.00 2.95 3.04 -1.26 -4.95 114.94 121.80 2djm s ASN 48 Ca 0.27 0.98 -0.04 0.00 0.04 0.00 0.00 52.86 54.11 2djm s ASN 48 Cb -0.09 -2.25 -0.17 0.00 -1.54 0.00 0.00 41.25 37.19 2djm s ASN 48 CO -0.10 -0.27 2.61 -0.46 -3.04 0.00 0.00 177.10 175.83 2djm n ASN 49 N -0.94 3.80 0.13 -4.21 6.94 -1.26 -4.13 115.26 115.60 2djm n ASN 49 Ca 0.01 -2.19 0.10 0.00 -0.02 0.00 0.00 54.58 52.48 2djm n ASN 49 Cb 0.54 -1.00 0.04 0.00 -2.36 0.00 0.00 39.78 36.99 2djm n ASN 49 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 2djm h ASN 50 N 3.59 0.00 0.00 0.53 -1.24 -1.99 -3.47 115.58 113.00 2djm h ASN 50 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.13 2djm h ASN 50 Cb 1.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.10 2djm h ASN 50 CO 0.27 0.10 0.00 0.61 -1.29 0.00 0.00 177.43 177.12 2djm n GLY 51 N 1.19 0.81 1.92 1.57 0.00 -1.26 -5.01 105.19 104.40 2djm n GLY 51 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 6.53 -4.21 1.61 4.13 -1.26 -4.85 115.26 117.21 2djm n ASN 52 Ca 0.00 -3.10 -0.24 0.00 1.68 0.00 0.00 54.58 52.92 2djm n ASN 52 Cb 0.00 -1.06 -0.14 0.00 -1.54 0.00 0.00 39.78 37.04 2djm n ASN 52 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2djm s ILE 53 N -2.41 1.49 -0.03 2.41 -1.16 -1.25 -1.64 121.20 118.61 2djm s ILE 53 Ca 0.33 -1.10 0.04 0.00 -0.51 0.00 0.00 60.65 59.40 2djm s ILE 53 Cb 0.25 -1.30 -0.00 0.00 0.61 0.00 0.00 42.46 42.02 2djm s ILE 53 CO -0.01 0.17 -0.14 -0.51 -2.81 0.00 0.00 174.94 171.65 2djm s ILE 54 N -0.77 1.17 -0.00 2.00 1.10 0.80 -4.94 121.20 120.55 2djm s ILE 54 Ca 0.06 -0.58 -0.26 0.00 -0.51 0.00 0.00 60.65 59.36 2djm s ILE 54 Cb -0.08 -1.01 -0.04 0.00 0.15 0.00 0.00 42.46 41.47 2djm s ILE 54 CO 0.01 0.34 0.79 0.00 -2.11 0.00 0.00 174.94 173.98 2djm s ALA 55 N 0.04 3.31 0.40 1.50 0.00 -1.26 0.03 121.76 125.78 2djm s ALA 55 Ca -0.02 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 2djm s ALA 55 Cb -0.10 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 2djm s ALA 55 CO 0.01 -0.06 0.63 0.00 0.00 0.00 0.00 175.76 176.34 2djm s ALA 56 N 0.47 3.67 -0.02 0.00 0.00 -0.36 -4.80 121.76 120.72 2djm s ALA 56 Ca 0.41 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.51 2djm s ALA 56 Cb -0.20 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 2djm s ALA 56 CO 0.22 -0.20 -0.12 0.45 0.00 0.00 0.00 175.76 176.12 2djm s SER 57 N -4.11 1.44 0.11 0.00 0.15 -1.02 -4.70 113.70 105.57 2djm s SER 57 Ca 0.44 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.72 2djm s SER 57 Cb -0.10 -0.25 -0.07 0.00 -1.71 0.00 0.00 66.02 63.90 2djm s SER 57 CO 0.38 0.13 0.52 0.72 1.20 0.00 0.00 173.24 176.19 2djm s PHE 58 N -0.11 3.65 -0.13 3.44 -0.12 -1.26 0.60 117.98 124.04 2djm s PHE 58 Ca 0.02 1.06 0.20 0.00 -0.05 0.00 0.00 56.93 58.15 2djm s PHE 58 Cb -0.06 -2.36 -0.19 0.00 -0.63 0.00 0.00 43.02 39.78 2djm s PHE 58 CO 0.00 0.49 0.66 0.43 -0.05 0.00 0.00 175.22 176.75 2djm n SER 59 N 1.06 0.44 0.00 1.98 7.64 0.17 -4.87 113.62 120.05 2djm n SER 59 Ca -0.07 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2djm n SER 59 Cb 0.52 0.99 0.00 0.00 -1.01 0.00 0.00 64.21 64.71 2djm n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djm n GLY 60 N 1.34 1.29 3.77 0.23 0.00 -1.13 -5.03 105.19 105.65 2djm n GLY 60 Ca -0.08 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.95 3.54 -0.80 1.61 0.02 -1.26 -0.47 135.00 135.69 2djm s PRO 61 Ca 0.00 1.81 -0.23 0.00 0.02 0.00 0.00 61.00 62.61 2djm s PRO 61 Cb 0.00 -2.28 0.07 0.00 0.02 0.00 0.00 34.50 32.31 2djm s PRO 61 CO 0.00 -0.74 1.15 0.42 -0.33 0.00 0.00 177.00 177.50 2djm s ILE 62 N -1.55 4.22 0.14 2.83 1.01 0.48 -4.78 121.20 123.55 2djm s ILE 62 Ca 0.67 -0.55 -0.33 0.00 0.00 0.00 0.00 60.65 60.44 2djm s ILE 62 Cb -0.30 -4.82 -0.13 0.00 0.01 0.00 0.00 42.46 37.23 2djm s ILE 62 CO 0.35 -1.64 1.70 -1.20 0.00 0.00 0.00 174.94 174.15 2djm n SER 63 N 8.00 3.52 0.00 3.58 7.64 -1.26 -1.22 113.62 133.88 2djm n SER 63 Ca 0.11 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2djm n SER 63 Cb 0.48 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 3.81 0.79 3.50 0.23 0.00 -1.26 -5.05 105.19 107.21 2djm n GLY 64 Ca 0.18 0.00 -0.11 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 -2.32 0.30 0.00 1.61 0.01 -0.36 -5.05 113.70 107.90 2djm s SER 65 Ca 0.00 -1.20 0.22 0.00 1.31 0.00 0.00 55.95 56.28 2djm s SER 65 Cb 0.00 0.59 0.57 0.00 0.21 0.00 0.00 66.02 67.39 2djm s SER 65 CO 0.00 -1.16 1.47 0.59 0.41 0.00 0.00 173.24 174.55 2djm n ASN 66 N -0.75 2.53 -4.82 2.44 4.13 -1.26 -4.72 115.26 112.81 2djm n ASN 66 Ca -0.00 -1.85 -0.22 0.00 1.68 0.00 0.00 54.58 54.19 2djm n ASN 66 Cb 0.62 -0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.66 2djm n ASN 66 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2djm s TYR 67 N -1.69 2.75 0.41 3.10 1.51 -1.26 -4.48 117.35 117.69 2djm s TYR 67 Ca 0.35 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.06 2djm s TYR 67 Cb 0.20 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 2djm s TYR 67 CO 0.29 0.11 0.32 -2.00 -1.11 0.00 0.00 175.55 173.16 2djm s GLU 68 N -4.00 2.45 -0.21 -0.62 2.12 0.17 -0.38 118.70 118.22 2djm s GLU 68 Ca 0.43 -1.62 -0.00 0.00 0.36 0.00 0.00 54.97 54.13 2djm s GLU 68 Cb -0.03 -2.26 0.06 0.00 0.26 0.00 0.00 34.13 32.15 2djm s GLU 68 CO 0.26 -0.17 -0.03 -0.47 -0.54 0.00 0.00 175.26 174.30 2djm s TYR 69 N -2.51 1.95 0.05 5.30 5.04 0.38 -2.79 117.35 124.77 2djm s TYR 69 Ca 0.46 -1.42 0.06 0.00 -2.44 0.00 0.00 57.07 53.74 2djm s TYR 69 Cb -0.01 -1.40 -0.03 0.00 0.35 0.00 0.00 41.96 40.86 2djm s TYR 69 CO 0.26 -0.71 -0.15 -1.58 -1.34 0.00 0.00 175.55 172.04 2djm s TRP 70 N 1.55 2.65 -0.01 4.97 0.52 -0.38 0.43 118.94 128.65 2djm s TRP 70 Ca -0.03 -0.20 0.01 0.00 0.02 0.00 0.00 56.10 55.89 2djm s TRP 70 Cb -0.18 -1.48 0.01 0.00 -1.15 0.00 0.00 33.47 30.67 2djm s TRP 70 CO -0.07 0.31 -0.01 0.95 0.02 0.00 0.00 176.95 178.15 2djm s THR 71 N -0.99 0.15 0.03 2.01 -4.23 0.20 0.12 115.64 112.93 2djm s THR 71 Ca 0.16 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.70 2djm s THR 71 Cb -0.11 -0.19 -0.02 0.00 1.34 0.00 0.00 72.50 73.53 2djm s THR 71 CO 0.07 0.09 -0.06 0.72 -0.54 0.00 0.00 174.62 174.90 2djm s PHE 72 N 0.50 0.51 0.02 3.99 -0.71 -0.35 -2.45 117.98 119.48 2djm s PHE 72 Ca -0.05 -0.39 0.06 0.00 -1.04 0.00 0.00 56.93 55.51 2djm s PHE 72 Cb -0.07 -0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 41.40 2djm s PHE 72 CO -0.01 -0.08 -0.18 -1.54 -1.34 0.00 0.00 175.22 172.06 2djm s SER 73 N -1.17 2.18 -0.21 1.98 1.04 -1.26 -0.69 113.70 115.56 2djm s SER 73 Ca -0.08 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 2djm s SER 73 Cb -0.08 -0.20 0.11 0.00 0.10 0.00 0.00 66.02 65.95 2djm s SER 73 CO -0.00 0.16 0.37 0.00 0.98 0.00 0.00 173.24 174.75 2djm s ALA 74 N -0.65 -1.00 -0.72 5.32 0.00 -0.30 -4.95 121.76 119.45 2djm s ALA 74 Ca 0.06 1.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 2djm s ALA 74 Cb -0.08 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.59 2djm s ALA 74 CO 0.01 -1.03 1.38 0.45 0.00 0.00 0.00 175.76 176.57 2djm s SER 75 N 2.54 6.02 0.05 0.00 0.15 -1.26 -0.41 113.70 120.78 2djm s SER 75 Ca 0.07 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.38 2djm s SER 75 Cb -0.14 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 2djm s SER 75 CO -0.14 -1.93 0.16 0.68 1.20 0.00 0.00 173.24 173.22 2djm s VAL 76 N 6.29 5.10 -0.11 4.45 -7.23 -1.26 -4.95 120.40 122.70 2djm s VAL 76 Ca 0.41 -0.48 0.25 0.00 -1.81 0.00 0.00 61.98 60.34 2djm s VAL 76 Cb -0.09 -3.46 0.28 0.00 0.56 0.00 0.00 36.38 33.67 2djm s VAL 76 CO 0.15 0.17 1.73 0.07 -0.31 0.00 0.00 175.10 176.91 2djm h LYS 77 N 3.29 0.00 0.00 4.82 2.10 -1.94 -3.39 116.57 121.45 2djm h LYS 77 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2djm h LYS 77 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2djm h LYS 77 CO 0.71 0.15 0.00 0.41 -2.00 0.00 0.00 179.45 178.72 2djm n GLY 78 N 0.61 1.17 3.54 0.07 0.00 -1.26 -5.03 105.19 104.29 2djm n GLY 78 Ca 0.02 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 -0.21 -0.20 -0.61 2.07 -1.21 -4.52 121.20 114.52 2djm s ILE 79 Ca 0.00 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.08 2djm s ILE 79 Cb 0.00 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.51 2djm s ILE 79 CO 0.00 0.00 -0.29 1.17 -1.91 0.00 0.00 174.94 173.91 2djm n LYS 80 N 4.22 0.54 -4.39 3.50 3.00 0.36 -4.47 118.16 120.91 2djm n LYS 80 Ca -0.15 0.29 -0.19 0.00 -0.00 0.00 0.00 58.31 58.26 2djm n LYS 80 Cb 0.55 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.98 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 -2.68 1.55 -0.16 1.64 0.41 -1.19 0.52 118.70 118.79 2djm s GLU 81 Ca -0.30 -1.85 -0.33 0.00 -0.41 0.00 0.00 54.97 52.08 2djm s GLU 81 Cb 0.07 -0.57 0.13 0.00 -1.78 0.00 0.00 34.13 31.98 2djm s GLU 81 CO 0.43 -0.25 1.14 0.12 -0.49 0.00 0.00 175.26 176.21 2djm s PHE 82 N -3.51 -0.18 0.12 1.61 2.19 0.17 0.15 117.98 118.53 2djm s PHE 82 Ca 0.37 0.14 -0.24 0.00 0.33 0.00 0.00 56.93 57.53 2djm s PHE 82 Cb 0.08 0.51 0.07 0.00 -1.31 0.00 0.00 43.02 42.37 2djm s PHE 82 CO 0.15 -0.27 0.61 1.52 1.83 0.00 0.00 175.22 179.06 2djm s TYR 83 N -2.37 -0.56 0.02 10.12 -0.85 -0.45 -0.12 117.35 123.14 2djm s TYR 83 Ca 0.08 0.48 -0.11 0.00 -0.52 0.00 0.00 57.07 57.00 2djm s TYR 83 Cb -0.01 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.80 2djm s TYR 83 CO -0.05 -0.80 0.36 0.42 -1.52 0.00 0.00 175.55 173.96 2djm s ILE 84 N -3.25 5.13 -0.24 -3.49 -1.09 0.06 -2.48 121.20 115.85 2djm s ILE 84 Ca -0.01 0.54 -0.14 0.00 -2.23 0.00 0.00 60.65 58.81 2djm s ILE 84 Cb -0.01 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2djm s ILE 84 CO -0.08 0.43 0.31 -0.54 -1.23 0.00 0.00 174.94 173.82 2djm s LYS 85 N -1.51 4.08 -0.59 2.79 1.02 -0.31 -0.73 119.74 124.50 2djm s LYS 85 Ca 0.27 -0.02 -0.19 0.00 0.02 0.00 0.00 55.97 56.05 2djm s LYS 85 Cb -0.15 -3.58 0.09 0.00 -0.52 0.00 0.00 37.83 33.68 2djm s LYS 85 CO 0.15 -0.08 0.72 -0.47 -0.92 0.00 0.00 175.35 174.75 2djm s TYR 86 N 1.47 2.97 -0.17 3.18 5.04 -0.22 -2.79 117.35 126.83 2djm s TYR 86 Ca 0.14 -0.86 -0.07 0.00 -2.44 0.00 0.00 57.07 53.83 2djm s TYR 86 Cb -0.15 -3.98 -0.04 0.00 0.35 0.00 0.00 41.96 38.14 2djm s TYR 86 CO 0.08 -1.30 0.06 -2.00 -1.34 0.00 0.00 175.55 171.05 2djm s GLU 87 N 2.83 3.91 0.24 4.97 2.56 -0.87 -0.71 118.70 131.62 2djm s GLU 87 Ca 0.13 -0.33 0.06 0.00 0.00 0.00 0.00 54.97 54.83 2djm s GLU 87 Cb -0.23 -3.19 -0.05 0.00 2.00 0.00 0.00 34.13 32.66 2djm s GLU 87 CO 0.07 0.32 -0.08 0.08 -0.56 0.00 0.00 175.26 175.10 2djm s VAL 88 N 0.24 1.54 -0.32 3.70 1.01 0.09 -2.08 120.40 124.58 2djm s VAL 88 Ca 0.04 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.89 2djm s VAL 88 Cb -0.12 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2djm s VAL 88 CO 0.00 -0.42 0.60 -1.54 0.00 0.00 0.00 175.10 173.75 2djm n SER 89 N -0.47 1.70 0.00 3.32 3.41 -1.26 -3.57 113.62 116.75 2djm n SER 89 Ca -0.06 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 2djm n SER 89 Cb 0.62 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2djm n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djm n GLY 90 N 0.48 0.11 3.43 5.00 0.00 -1.26 -5.16 105.19 107.79 2djm n GLY 90 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.86 1.59 0.02 1.61 2.47 -1.23 -5.16 119.74 118.18 2djm s LYS 91 Ca 0.00 -1.86 0.01 0.00 -1.56 0.00 0.00 55.97 52.56 2djm s LYS 91 Cb 0.00 -0.91 -0.01 0.00 -1.46 0.00 0.00 37.83 35.45 2djm s LYS 91 CO 0.00 -0.13 -0.04 0.99 0.16 0.00 0.00 175.35 176.33 2djm s THR 92 N -3.24 0.27 0.16 3.43 2.01 -1.26 -0.73 115.64 116.28 2djm s THR 92 Ca 0.34 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.70 2djm s THR 92 Cb 0.07 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 2djm s THR 92 CO 0.14 -0.26 0.11 -1.22 -0.69 0.00 0.00 174.62 172.70 2djm n TYR 93 N 2.07 -0.23 -3.76 4.92 4.02 0.11 -4.99 117.16 119.30 2djm n TYR 93 Ca -0.19 -1.24 -0.13 0.00 -0.01 0.00 0.00 57.90 56.33 2djm n TYR 93 Cb 0.56 0.09 -0.10 0.00 -0.02 0.00 0.00 39.34 39.87 2djm n TYR 93 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2djm s TYR 94 N -2.50 -0.33 -0.15 -0.72 2.02 -1.26 -1.05 117.35 113.35 2djm s TYR 94 Ca 0.15 0.79 0.01 0.00 -0.37 0.00 0.00 57.07 57.65 2djm s TYR 94 Cb 0.01 0.12 0.02 0.00 -0.40 0.00 0.00 41.96 41.71 2djm s TYR 94 CO 0.11 -0.21 -0.17 0.34 -1.57 0.00 0.00 175.55 174.05 2djm s ASP 95 N -0.06 2.84 0.00 2.29 2.15 0.10 -4.94 116.67 119.04 2djm s ASP 95 Ca -0.02 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.41 2djm s ASP 95 Cb -0.03 -1.29 0.00 0.00 -0.30 0.00 0.00 42.92 41.30 2djm s ASP 95 CO 0.01 -0.01 0.00 -0.46 -0.17 0.00 0.00 175.17 174.54 2djm n ASN 96 N 4.58 0.00 -0.04 -0.34 0.23 -1.26 -0.76 115.26 117.66 2djm n ASN 96 Ca -0.19 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.77 2djm n ASN 96 Cb 0.50 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.17 2djm n ASN 96 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2djm n ASN 97 N 0.00 0.65 0.00 0.53 4.13 -1.26 -4.87 115.26 114.44 2djm n ASN 97 Ca 0.00 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.37 2djm n ASN 97 Cb 0.00 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 2djm n ASN 97 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2djm n ASN 98 N -3.41 0.00 -2.68 6.41 2.85 -1.26 -4.95 115.26 112.22 2djm n ASN 98 Ca -0.18 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.24 2djm n ASN 98 Cb 0.62 0.17 0.12 0.00 1.24 0.00 0.00 39.78 41.92 2djm n ASN 98 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2djm n SER 99 N -2.01 -1.76 0.00 1.20 3.41 -1.26 -5.10 113.62 108.10 2djm n SER 99 Ca 0.00 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 2djm n SER 99 Cb 0.00 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 -0.82 0.00 0.00 7.33 0.00 -1.26 -5.16 120.51 120.60 2djm n ALA 100 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2djm n ALA 100 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 -4.77 0.00 6.94 -1.26 -4.79 115.26 111.38 2djm n ASN 101 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.17 2djm n ASN 101 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 2djm n ASN 101 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2djm s TYR 102 N -1.21 3.72 -0.18 -2.53 2.02 0.83 -4.79 117.35 115.20 2djm s TYR 102 Ca 0.00 1.80 -0.03 0.00 -0.37 0.00 0.00 57.07 58.47 2djm s TYR 102 Cb 0.00 -3.03 -0.01 0.00 -0.40 0.00 0.00 41.96 38.51 2djm s TYR 102 CO 0.00 0.06 -0.07 1.14 -1.57 0.00 0.00 175.55 175.10 2djm s GLN 103 N -1.70 3.43 -0.14 -0.62 0.00 -1.26 -0.65 119.66 118.71 2djm s GLN 103 Ca 0.47 -0.63 -0.16 0.00 -0.00 0.00 0.00 55.36 55.05 2djm s GLN 103 Cb -0.24 -2.86 -0.04 0.00 0.00 0.00 0.00 33.01 29.86 2djm s GLN 103 CO 0.30 0.01 0.37 0.08 0.00 0.00 0.00 175.29 176.05 2djm s VAL 104 N 0.91 5.26 -0.71 3.63 1.01 0.18 -4.99 120.40 125.69 2djm s VAL 104 Ca -0.01 0.72 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 2djm s VAL 104 Cb -0.15 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2djm s VAL 104 CO 0.01 0.36 2.05 -0.55 0.00 0.00 0.00 175.10 176.97 2djm s SER 105 N 0.55 4.90 0.00 3.32 0.15 -1.26 -4.63 113.70 116.72 2djm s SER 105 Ca 0.20 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2djm s SER 105 Cb -0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2djm s SER 105 CO 0.06 -2.79 0.36 0.35 1.20 0.00 0.00 173.24 172.42