#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 5.86 -0.15 0.00 1.04 -1.26 -5.01 113.70 114.19 2djm s SER 2 Ca 0.00 0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.48 2djm s SER 2 Cb 0.00 -2.01 -0.05 0.00 0.10 0.00 0.00 66.02 64.06 2djm s SER 2 CO 0.00 0.19 -0.12 0.40 0.98 0.00 0.00 173.24 174.68 2djm h ILE 3 N 4.76 0.11 -4.21 -1.02 5.03 -1.98 -3.43 117.51 116.77 2djm h ILE 3 Ca -0.39 -1.13 -0.51 0.00 -0.12 0.00 0.00 64.86 62.71 2djm h ILE 3 Cb 1.16 0.26 0.10 0.00 -3.03 0.00 0.00 36.82 35.31 2djm h ILE 3 CO 0.72 0.04 0.37 -2.84 -0.68 0.00 0.00 178.15 175.76 2djm s PRO 4 N -2.22 2.79 0.00 2.37 0.02 -1.26 -3.14 135.00 133.56 2djm s PRO 4 Ca -0.16 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.24 2djm s PRO 4 Cb 0.02 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.59 2djm s PRO 4 CO 0.25 -1.25 0.00 0.45 -0.33 0.00 0.00 177.00 176.12 2djm n SER 5 N -2.46 -3.54 0.00 2.53 2.88 -1.26 -4.76 113.62 107.02 2djm n SER 5 Ca 0.10 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.63 2djm n SER 5 Cb 0.52 -2.07 -0.00 0.00 -0.75 0.00 0.00 64.21 61.91 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 -0.44 0.73 -0.73 -3.46 7.64 -1.20 -5.13 113.62 111.03 2djm n SER 6 Ca 0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2djm n SER 6 Cb 0.22 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2djm n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djm n ALA 7 N -3.19 0.00 0.38 -0.43 0.00 -1.19 -5.01 120.51 111.08 2djm n ALA 7 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2djm n ALA 7 Cb 0.08 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.72 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 -5.04 0.00 0.02 -1.96 -3.41 113.55 103.16 2djm h SER 8 Ca 0.00 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 2djm h SER 8 Cb 0.00 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.36 2djm h SER 8 CO 0.00 0.03 -0.29 0.54 -1.14 0.00 0.00 176.83 175.96 2djm s VAL 9 N -3.21 0.08 -0.06 2.27 0.11 -1.26 -0.38 120.40 117.96 2djm s VAL 9 Ca 0.06 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.41 2djm s VAL 9 Cb 0.10 -0.84 0.04 0.00 -1.53 0.00 0.00 36.38 34.15 2djm s VAL 9 CO 0.69 -0.37 0.13 -1.58 -3.33 0.00 0.00 175.10 170.64 2djm s GLN 10 N -2.23 0.06 0.27 1.54 0.74 0.12 -4.94 119.66 115.22 2djm s GLN 10 Ca -0.07 0.39 -0.29 0.00 0.05 0.00 0.00 55.36 55.43 2djm s GLN 10 Cb -0.02 -0.21 -0.10 0.00 1.10 0.00 0.00 33.01 33.78 2djm s GLN 10 CO -0.02 -0.20 1.27 -1.17 -0.55 0.00 0.00 175.29 174.63 2djm s LEU 11 N 1.39 4.45 -0.09 3.68 2.96 -1.26 -1.24 118.68 128.56 2djm s LEU 11 Ca -0.07 2.50 -0.03 0.00 -0.22 0.00 0.00 54.13 56.31 2djm s LEU 11 Cb -0.12 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 2djm s LEU 11 CO -0.06 -0.46 -0.05 -0.78 -1.32 0.00 0.00 176.35 173.69 2djm h ASP 12 N 4.24 0.00 -4.84 3.68 1.82 -1.76 -3.46 116.42 116.11 2djm h ASP 12 Ca -0.47 0.00 0.34 0.00 -0.39 0.00 0.00 57.03 56.52 2djm h ASP 12 Cb 1.22 0.00 -0.18 0.00 0.68 0.00 0.00 39.33 41.05 2djm h ASP 12 CO 0.70 0.48 0.96 -0.94 -1.61 0.00 0.00 179.24 178.83 2djm s SER 13 N -5.18 -0.03 0.19 2.28 1.04 -1.16 -5.02 113.70 105.82 2djm s SER 13 Ca -0.04 -0.01 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 2djm s SER 13 Cb 0.01 0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.21 2djm s SER 13 CO 0.06 -0.06 0.59 -0.72 0.98 0.00 0.00 173.24 174.08 2djm s TYR 14 N -2.10 -0.33 0.16 5.02 -0.85 -1.26 -1.09 117.35 116.90 2djm s TYR 14 Ca 0.13 0.03 -0.05 0.00 -0.52 0.00 0.00 57.07 56.66 2djm s TYR 14 Cb 0.02 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 2djm s TYR 14 CO -0.04 -0.93 0.19 -0.80 -1.52 0.00 0.00 175.55 172.45 2djm s ASN 15 N -2.82 0.15 0.01 -0.18 0.01 0.49 -4.96 114.94 107.64 2djm s ASN 15 Ca 0.05 -1.09 0.05 0.00 -0.71 0.00 0.00 52.86 51.16 2djm s ASN 15 Cb -0.02 0.39 -0.01 0.00 0.41 0.00 0.00 41.25 42.02 2djm s ASN 15 CO -0.06 -0.84 -0.14 -0.47 -1.51 0.00 0.00 177.10 174.07 2djm s TYR 16 N -4.03 1.25 -0.31 2.20 5.04 -1.25 -2.68 117.35 117.57 2djm s TYR 16 Ca 0.24 -0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.62 2djm s TYR 16 Cb 0.05 -0.78 0.15 0.00 0.35 0.00 0.00 41.96 41.73 2djm s TYR 16 CO 0.03 -0.00 0.39 -0.51 -1.34 0.00 0.00 175.55 174.12 2djm s ASP 17 N -0.59 0.74 0.58 4.32 1.01 -1.04 -4.93 116.67 116.75 2djm s ASP 17 Ca 0.04 -0.70 0.00 0.00 0.71 0.00 0.00 52.55 52.60 2djm s ASP 17 Cb -0.06 0.91 0.00 0.00 1.01 0.00 0.00 42.92 44.78 2djm s ASP 17 CO 0.00 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.65 2djm n GLY 18 N 5.11 0.83 2.68 0.21 0.00 -1.26 -2.33 105.19 110.42 2djm n GLY 18 Ca 0.02 0.44 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 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 3.38 -0.11 1.61 0.01 -1.26 -5.02 113.70 108.32 2djm s SER 19 Ca 0.00 -3.12 -0.08 0.00 1.31 0.00 0.00 55.95 54.07 2djm s SER 19 Cb 0.00 -1.05 0.04 0.00 0.21 0.00 0.00 66.02 65.22 2djm s SER 19 CO 0.00 -0.19 0.27 -0.89 0.41 0.00 0.00 173.24 172.85 2djm s THR 20 N -0.27 -0.02 -0.21 1.44 2.01 -0.99 -3.74 115.64 113.87 2djm s THR 20 Ca 0.24 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 2djm s THR 20 Cb -0.11 -0.40 0.06 0.00 0.01 0.00 0.00 72.50 72.06 2djm s THR 20 CO -0.10 0.03 0.02 0.12 -0.69 0.00 0.00 174.62 174.00 2djm s PHE 21 N 0.75 1.30 0.04 4.92 5.36 0.62 -2.51 117.98 128.46 2djm s PHE 21 Ca -0.05 -1.06 0.02 0.00 -0.96 0.00 0.00 56.93 54.89 2djm s PHE 21 Cb -0.06 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.44 2djm s PHE 21 CO -0.05 -0.65 -0.08 -1.12 -1.46 0.00 0.00 175.22 171.86 2djm s SER 22 N 1.77 0.91 0.00 6.13 0.01 -1.09 -1.55 113.70 119.87 2djm s SER 22 Ca -0.01 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2djm s SER 22 Cb -0.17 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2djm s SER 22 CO -0.08 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2djm n GLY 23 N 1.50 -1.10 3.30 3.44 0.00 -0.61 -0.38 105.19 111.35 2djm n GLY 23 Ca -0.22 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.04 1.02 0.12 1.61 0.00 -0.25 -0.51 119.74 121.70 2djm s LYS 24 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 55.97 55.19 2djm s LYS 24 Cb 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 37.83 38.21 2djm s LYS 24 CO 0.00 -0.38 -0.17 0.42 0.00 0.00 0.00 175.35 175.22 2djm s ILE 25 N -3.84 1.53 -0.22 3.79 1.01 0.23 -2.16 121.20 121.54 2djm s ILE 25 Ca 0.05 -1.69 0.01 0.00 0.00 0.00 0.00 60.65 59.02 2djm s ILE 25 Cb 0.03 -1.58 0.05 0.00 0.01 0.00 0.00 42.46 40.98 2djm s ILE 25 CO -0.10 -0.28 -0.07 -0.47 0.00 0.00 0.00 174.94 174.01 2djm s TYR 26 N -1.79 2.43 0.09 3.97 6.14 -0.37 -1.49 117.35 126.33 2djm s TYR 26 Ca 0.09 -1.71 0.04 0.00 0.64 0.00 0.00 57.07 56.13 2djm s TYR 26 Cb -0.07 -1.61 -0.04 0.00 0.42 0.00 0.00 41.96 40.67 2djm s TYR 26 CO 0.04 -0.76 -0.10 0.14 0.64 0.00 0.00 175.55 175.51 2djm s VAL 27 N 1.39 0.91 0.22 3.14 -7.23 -1.12 0.12 120.40 117.82 2djm s VAL 27 Ca -0.04 -1.62 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2djm s VAL 27 Cb -0.18 -1.33 -0.06 0.00 0.56 0.00 0.00 36.38 35.37 2djm s VAL 27 CO -0.07 -0.56 0.48 -1.59 -0.31 0.00 0.00 175.10 173.05 2djm s LYS 28 N -2.77 3.65 -0.56 4.82 -2.85 0.49 -1.50 119.74 121.04 2djm s LYS 28 Ca 0.05 -0.01 -0.19 0.00 -1.00 0.00 0.00 55.97 54.83 2djm s LYS 28 Cb -0.03 -2.73 0.09 0.00 -2.06 0.00 0.00 37.83 33.10 2djm s LYS 28 CO -0.00 0.34 0.66 0.54 0.10 0.00 0.00 175.35 176.98 2djm s ASN 29 N -2.76 6.20 -0.06 0.03 4.22 -1.26 -4.86 114.94 116.45 2djm s ASN 29 Ca 0.43 -1.26 -0.21 0.00 -2.14 0.00 0.00 52.86 49.68 2djm s ASN 29 Cb -0.11 -2.29 -0.31 0.00 1.28 0.00 0.00 41.25 39.82 2djm s ASN 29 CO 0.26 -1.01 0.85 0.40 -2.04 0.00 0.00 177.10 175.56 2djm h ILE 30 N 5.90 1.46 -3.50 0.54 5.03 -1.97 -3.47 117.51 121.50 2djm h ILE 30 Ca -0.29 -2.52 -0.30 0.00 -0.12 0.00 0.00 64.86 61.63 2djm h ILE 30 Cb 1.09 3.14 -0.15 0.00 -3.03 0.00 0.00 36.82 37.88 2djm h ILE 30 CO 1.04 0.71 -0.71 0.00 -0.68 0.00 0.00 178.15 178.52 2djm s ALA 31 N -2.43 1.33 0.03 1.87 0.00 -1.26 -5.07 121.76 116.22 2djm s ALA 31 Ca -0.14 -1.45 0.10 0.00 0.00 0.00 0.00 51.96 50.46 2djm s ALA 31 Cb 0.01 0.07 -0.21 0.00 0.00 0.00 0.00 23.12 23.00 2djm s ALA 31 CO 0.82 -0.13 0.97 -0.92 0.00 0.00 0.00 175.76 176.50 2djm h TYR 32 N 2.83 0.00 -2.76 0.00 3.20 -1.99 -3.40 116.97 114.86 2djm h TYR 32 Ca -0.36 0.00 -0.68 0.00 3.14 0.00 0.00 58.73 60.83 2djm h TYR 32 Cb 1.18 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 39.27 2djm h TYR 32 CO 0.63 0.98 0.43 -1.54 -1.64 0.00 0.00 178.16 177.02 2djm s SER 33 N -6.38 6.33 0.43 -2.11 1.04 -1.26 -5.02 113.70 106.73 2djm s SER 33 Ca -0.02 -1.52 0.07 0.00 0.48 0.00 0.00 55.95 54.96 2djm s SER 33 Cb 0.09 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 2djm s SER 33 CO 0.82 -1.17 0.25 -0.54 0.98 0.00 0.00 173.24 173.58 2djm s LYS 34 N 2.97 2.31 -0.28 4.02 1.02 -1.26 -0.94 119.74 127.57 2djm s LYS 34 Ca 0.20 -1.80 0.02 0.00 0.02 0.00 0.00 55.97 54.41 2djm s LYS 34 Cb -0.16 -2.09 0.17 0.00 -0.52 0.00 0.00 37.83 35.23 2djm s LYS 34 CO 0.03 -0.20 0.49 -1.59 -0.92 0.00 0.00 175.35 173.16 2djm s LYS 35 N -4.00 0.47 -0.19 1.68 -2.85 0.24 -4.89 119.74 110.21 2djm s LYS 35 Ca 0.41 0.50 -0.12 0.00 -1.00 0.00 0.00 55.97 55.77 2djm s LYS 35 Cb 0.01 -0.01 -0.05 0.00 -2.06 0.00 0.00 37.83 35.72 2djm s LYS 35 CO 0.23 -0.88 0.21 0.08 0.10 0.00 0.00 175.35 175.09 2djm s VAL 36 N 2.69 5.35 -0.02 1.79 1.01 -1.26 -2.40 120.40 127.56 2djm s VAL 36 Ca 0.13 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2djm s VAL 36 Cb -0.13 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2djm s VAL 36 CO -0.24 0.40 -0.02 0.42 0.00 0.00 0.00 175.10 175.66 2djm s THR 37 N 0.54 0.23 -0.04 3.92 -4.23 -0.98 -0.49 115.64 114.60 2djm s THR 37 Ca 0.12 -0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.42 2djm s THR 37 Cb -0.12 -0.26 -0.05 0.00 1.34 0.00 0.00 72.50 73.41 2djm s THR 37 CO 0.02 0.11 0.47 -0.69 -0.54 0.00 0.00 174.62 173.98 2djm s VAL 38 N 0.47 5.05 -0.78 2.29 1.01 0.26 -0.16 120.40 128.53 2djm s VAL 38 Ca -0.05 0.96 0.02 0.00 0.00 0.00 0.00 61.98 62.91 2djm s VAL 38 Cb -0.08 -3.79 0.23 0.00 0.00 0.00 0.00 36.38 32.74 2djm s VAL 38 CO -0.01 0.46 0.79 0.52 0.00 0.00 0.00 175.10 176.86 2djm n VAL 39 N 2.64 2.74 -3.64 2.92 0.31 -1.00 -0.96 118.33 121.34 2djm n VAL 39 Ca -0.10 -5.20 -0.38 0.00 -0.01 0.00 0.00 64.34 58.65 2djm n VAL 39 Cb 0.52 -2.20 -0.11 0.00 -0.91 0.00 0.00 33.84 31.13 2djm n VAL 39 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 2djm s TYR 40 N -1.97 3.18 0.39 3.52 -0.85 -0.96 -2.22 117.35 118.43 2djm s TYR 40 Ca 0.32 -0.23 -0.24 0.00 -0.52 0.00 0.00 57.07 56.40 2djm s TYR 40 Cb 0.03 -2.35 -0.09 0.00 0.38 0.00 0.00 41.96 39.93 2djm s TYR 40 CO -0.07 -0.31 1.03 0.00 -1.52 0.00 0.00 175.55 174.68 2djm s ALA 41 N 1.68 3.10 0.70 9.51 0.00 0.53 -4.72 121.76 132.57 2djm s ALA 41 Ca 0.06 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 2djm s ALA 41 Cb -0.16 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2djm s ALA 41 CO 0.08 -0.12 1.09 0.16 0.00 0.00 0.00 175.76 176.96 2djm s ASP 42 N -1.62 5.47 0.00 0.00 -4.77 -1.26 0.42 116.67 114.91 2djm s ASP 42 Ca 0.57 1.21 -0.01 0.00 -3.30 0.00 0.00 52.55 51.02 2djm s ASP 42 Cb -0.20 -2.04 -0.03 0.00 -1.09 0.00 0.00 42.92 39.55 2djm s ASP 42 CO 0.26 -1.33 1.53 0.61 0.70 0.00 0.00 175.17 176.93 2djm n GLY 43 N -2.85 1.90 0.00 2.12 0.00 -0.61 -2.36 105.19 103.40 2djm n GLY 43 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2djm n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2djm n SER 44 N 1.84 3.08 -2.64 1.61 7.64 -1.26 -4.95 113.62 118.93 2djm n SER 44 Ca 0.05 -0.16 -0.13 0.00 1.01 0.00 0.00 58.87 59.64 2djm n SER 44 Cb 0.38 0.94 0.06 0.00 -1.01 0.00 0.00 64.21 64.57 2djm n SER 44 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2djm n ASP 45 N -1.24 -2.77 -3.39 6.43 9.92 -1.00 -5.00 116.55 119.50 2djm n ASP 45 Ca 0.00 -0.41 -0.24 0.00 -0.53 0.00 0.00 54.79 53.61 2djm n ASP 45 Cb 0.00 -3.64 -0.10 0.00 -0.64 0.00 0.00 41.12 36.75 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 -3.75 1.95 -0.44 -2.24 3.84 -1.26 -5.07 114.94 107.97 2djm s ASN 46 Ca 0.10 -2.15 0.03 0.00 0.21 0.00 0.00 52.86 51.05 2djm s ASN 46 Cb -0.04 -0.02 0.12 0.00 -0.55 0.00 0.00 41.25 40.76 2djm s ASN 46 CO 0.50 -0.26 0.20 0.26 -2.79 0.00 0.00 177.10 175.01 2djm s TRP 47 N 0.99 2.79 -1.05 0.43 0.52 -1.26 -4.95 118.94 116.41 2djm s TRP 47 Ca 0.21 -2.79 -0.04 0.00 0.02 0.00 0.00 56.10 53.50 2djm s TRP 47 Cb -0.15 -2.46 0.30 0.00 -1.15 0.00 0.00 33.47 30.01 2djm s TRP 47 CO -0.04 -0.80 1.37 -1.71 0.02 0.00 0.00 176.95 175.79 2djm n ASN 48 N 3.61 6.08 -1.77 2.95 5.15 -1.26 -4.74 115.26 125.28 2djm n ASN 48 Ca 0.05 -3.37 -0.10 0.00 -0.60 0.00 0.00 54.58 50.57 2djm n ASN 48 Cb 0.35 -1.24 -0.03 0.00 -0.53 0.00 0.00 39.78 38.34 2djm n ASN 48 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2djm n ASN 49 N 1.47 -2.93 -0.04 1.20 5.15 -1.26 -4.75 115.26 114.10 2djm n ASN 49 Ca 0.26 0.25 -0.08 0.00 -0.60 0.00 0.00 54.58 54.41 2djm n ASN 49 Cb 0.34 -2.71 0.08 0.00 -0.53 0.00 0.00 39.78 36.97 2djm n ASN 49 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2djm h ASN 50 N 0.00 0.69 -5.51 1.20 -1.07 -1.92 -3.48 115.58 105.49 2djm h ASN 50 Ca -0.22 -0.30 -0.05 0.00 0.07 0.00 0.00 56.30 55.80 2djm h ASN 50 Cb 0.87 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.92 2djm h ASN 50 CO 0.29 0.99 -0.12 0.61 0.07 0.00 0.00 177.43 179.27 2djm n GLY 51 N -0.04 -1.25 3.59 9.14 0.00 -1.26 -4.85 105.19 110.52 2djm n GLY 51 Ca -0.01 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 2djm n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2djm s ASN 52 N -2.99 5.55 0.13 1.61 0.01 -1.26 -4.95 114.94 113.05 2djm s ASN 52 Ca 0.01 1.39 0.05 0.00 -0.71 0.00 0.00 52.86 53.59 2djm s ASN 52 Cb -0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 2djm s ASN 52 CO 0.77 -1.97 0.06 -0.51 -1.51 0.00 0.00 177.10 173.94 2djm s ILE 53 N 8.06 4.19 -0.03 0.60 1.10 -1.24 -2.26 121.20 131.62 2djm s ILE 53 Ca 0.87 -1.07 -0.03 0.00 -0.51 0.00 0.00 60.65 59.91 2djm s ILE 53 Cb -0.24 -3.07 0.01 0.00 0.15 0.00 0.00 42.46 39.30 2djm s ILE 53 CO 0.32 0.00 0.08 -0.51 -2.11 0.00 0.00 174.94 172.72 2djm s ILE 54 N -1.55 0.00 -0.08 2.00 2.07 -0.14 -4.92 121.20 118.58 2djm s ILE 54 Ca 0.28 -0.04 -0.22 0.00 -1.41 0.00 0.00 60.65 59.27 2djm s ILE 54 Cb -0.11 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.31 2djm s ILE 54 CO 0.21 -0.02 0.62 0.00 -1.91 0.00 0.00 174.94 173.83 2djm s ALA 55 N -0.03 3.39 0.55 1.50 0.00 -1.26 0.92 121.76 126.82 2djm s ALA 55 Ca -0.01 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 2djm s ALA 55 Cb -0.01 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 2djm s ALA 55 CO 0.00 -0.06 1.03 0.00 0.00 0.00 0.00 175.76 176.73 2djm s ALA 56 N 0.71 2.86 -0.17 0.00 0.00 0.36 -4.94 121.76 120.58 2djm s ALA 56 Ca 0.33 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 2djm s ALA 56 Cb -0.17 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2djm s ALA 56 CO 0.15 -0.55 0.03 -1.12 0.00 0.00 0.00 175.76 174.28 2djm s SER 57 N -2.71 5.41 0.37 0.00 0.01 -0.60 -4.76 113.70 111.42 2djm s SER 57 Ca 0.63 0.04 -0.26 0.00 1.31 0.00 0.00 55.95 57.67 2djm s SER 57 Cb -0.14 -1.89 -0.09 0.00 0.21 0.00 0.00 66.02 64.11 2djm s SER 57 CO 0.32 0.19 1.16 -0.36 0.41 0.00 0.00 173.24 174.96 2djm s PHE 58 N 0.27 3.17 -0.07 2.43 0.40 -1.26 -0.17 117.98 122.75 2djm s PHE 58 Ca 0.02 1.57 0.01 0.00 -0.60 0.00 0.00 56.93 57.93 2djm s PHE 58 Cb -0.13 -3.38 -0.05 0.00 0.51 0.00 0.00 43.02 39.97 2djm s PHE 58 CO 0.01 -1.18 -0.05 0.43 0.70 0.00 0.00 175.22 175.13 2djm n SER 59 N 0.32 3.50 0.00 1.36 7.64 0.70 -4.80 113.62 122.34 2djm n SER 59 Ca 0.03 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2djm n SER 59 Cb 0.46 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 3.07 0.91 3.68 0.23 0.00 -1.00 -4.97 105.19 107.12 2djm n GLY 60 Ca -0.12 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.30 2.04 -2.78 1.61 -0.02 -1.26 -0.75 135.00 132.53 2djm n PRO 61 Ca 0.00 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 2djm n PRO 61 Cb 0.00 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 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 -0.82 4.86 -0.09 4.25 1.01 0.93 -4.83 121.20 126.50 2djm s ILE 62 Ca 0.59 1.88 -0.29 0.00 0.00 0.00 0.00 60.65 62.83 2djm s ILE 62 Cb -0.60 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 37.57 2djm s ILE 62 CO 0.59 0.07 1.85 -0.44 0.00 0.00 0.00 174.94 177.01 2djm s SER 63 N 1.05 6.31 0.00 3.58 0.01 -1.26 -1.00 113.70 122.40 2djm s SER 63 Ca 0.46 2.18 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2djm s SER 63 Cb -0.18 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2djm s SER 63 CO 0.19 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.22 2djm n GLY 64 N 4.68 2.31 3.50 3.44 0.00 -1.26 -5.06 105.19 112.79 2djm n GLY 64 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.60 2.65 0.00 1.61 0.01 -0.17 -5.04 113.70 111.16 2djm s SER 65 Ca 0.00 -1.50 0.15 0.00 1.31 0.00 0.00 55.95 55.91 2djm s SER 65 Cb 0.00 0.15 0.26 0.00 0.21 0.00 0.00 66.02 66.64 2djm s SER 65 CO 0.00 -0.73 1.15 -0.46 0.41 0.00 0.00 173.24 173.61 2djm n ASN 66 N -0.94 2.73 -4.59 2.44 6.94 -1.26 -4.44 115.26 116.14 2djm n ASN 66 Ca -0.05 -1.81 -0.18 0.00 -0.02 0.00 0.00 54.58 52.53 2djm n ASN 66 Cb 0.66 -0.15 0.06 0.00 -2.36 0.00 0.00 39.78 37.98 2djm n ASN 66 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2djm n TYR 67 N 0.85 -2.24 -4.11 -2.53 4.01 -1.26 -4.81 117.16 107.07 2djm n TYR 67 Ca 0.12 -1.89 -0.25 0.00 -0.16 0.00 0.00 57.90 55.72 2djm n TYR 67 Cb 0.43 -0.48 -0.07 0.00 -0.31 0.00 0.00 39.34 38.91 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 -4.30 2.24 -0.03 -0.72 2.12 -0.56 -0.05 118.70 117.40 2djm s GLU 68 Ca 0.52 -1.86 -0.00 0.00 0.36 0.00 0.00 54.97 53.99 2djm s GLU 68 Cb -0.04 -1.99 0.03 0.00 0.26 0.00 0.00 34.13 32.38 2djm s GLU 68 CO 0.33 -0.15 0.02 -0.47 -0.54 0.00 0.00 175.26 174.45 2djm s TYR 69 N -2.61 0.23 -0.04 5.30 5.04 0.07 -2.80 117.35 122.54 2djm s TYR 69 Ca 0.40 0.07 0.04 0.00 -2.44 0.00 0.00 57.07 55.14 2djm s TYR 69 Cb 0.03 -0.43 -0.00 0.00 0.35 0.00 0.00 41.96 41.90 2djm s TYR 69 CO 0.22 -0.16 -0.17 -1.58 -1.34 0.00 0.00 175.55 172.53 2djm s TRP 70 N 1.42 1.64 0.06 4.97 0.52 -0.55 -0.22 118.94 126.78 2djm s TRP 70 Ca -0.04 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.65 2djm s TRP 70 Cb -0.13 -1.10 -0.03 0.00 -1.15 0.00 0.00 33.47 31.06 2djm s TRP 70 CO -0.03 -0.15 -0.07 0.95 0.02 0.00 0.00 176.95 177.67 2djm s THR 71 N 0.01 0.60 0.20 2.01 -4.23 0.76 0.77 115.64 115.77 2djm s THR 71 Ca -0.03 -1.40 -0.21 0.00 -1.18 0.00 0.00 61.69 58.87 2djm s THR 71 Cb -0.11 -1.02 0.04 0.00 1.34 0.00 0.00 72.50 72.76 2djm s THR 71 CO 0.02 -0.57 0.61 0.72 -0.54 0.00 0.00 174.62 174.87 2djm s PHE 72 N -2.23 -0.33 -0.03 3.99 -0.71 0.33 -1.56 117.98 117.45 2djm s PHE 72 Ca -0.02 0.01 -0.03 0.00 -1.04 0.00 0.00 56.93 55.85 2djm s PHE 72 Cb -0.04 0.56 0.01 0.00 -1.21 0.00 0.00 43.02 42.34 2djm s PHE 72 CO -0.02 -0.98 0.08 -1.54 -1.34 0.00 0.00 175.22 171.42 2djm s SER 73 N -2.83 -0.08 -0.13 1.98 1.04 -1.26 -1.57 113.70 110.85 2djm s SER 73 Ca 0.06 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.56 2djm s SER 73 Cb -0.02 0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.29 2djm s SER 73 CO -0.04 -0.03 0.32 0.00 0.98 0.00 0.00 173.24 174.47 2djm s ALA 74 N 0.09 -0.79 -0.71 5.32 0.00 -0.60 -4.97 121.76 120.10 2djm s ALA 74 Ca -0.00 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 2djm s ALA 74 Cb -0.01 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.46 2djm s ALA 74 CO -0.00 -0.20 1.20 0.45 0.00 0.00 0.00 175.76 177.20 2djm s SER 75 N 0.92 6.18 0.23 0.00 0.15 -1.26 -0.28 113.70 119.63 2djm s SER 75 Ca -0.06 -0.56 -0.08 0.00 0.70 0.00 0.00 55.95 55.96 2djm s SER 75 Cb -0.07 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 61.65 2djm s SER 75 CO -0.07 -1.72 0.52 0.68 1.20 0.00 0.00 173.24 173.85 2djm s VAL 76 N 5.28 5.00 -0.58 4.45 -7.23 -1.24 -4.95 120.40 121.12 2djm s VAL 76 Ca 0.32 0.29 -0.01 0.00 -1.81 0.00 0.00 61.98 60.78 2djm s VAL 76 Cb -0.10 -3.65 0.48 0.00 0.56 0.00 0.00 36.38 33.67 2djm s VAL 76 CO 0.14 -0.11 2.00 0.29 -0.31 0.00 0.00 175.10 177.11 2djm n LYS 77 N -0.29 2.50 0.00 4.82 4.01 -1.26 -4.50 118.16 123.44 2djm n LYS 77 Ca -0.01 -3.05 0.00 0.00 -0.51 0.00 0.00 58.31 54.74 2djm n LYS 77 Cb 0.53 -2.20 0.00 0.00 -0.51 0.00 0.00 35.03 32.85 2djm n LYS 77 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2djm n GLY 78 N -0.86 1.19 3.28 0.72 0.00 -1.26 -4.74 105.19 103.52 2djm n GLY 78 Ca 0.59 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 1.60 0.00 -0.61 2.07 -1.26 -1.57 121.20 121.43 2djm s ILE 79 Ca 0.00 -1.69 0.00 0.00 -1.41 0.00 0.00 60.65 57.55 2djm s ILE 79 Cb 0.00 -1.60 0.00 0.00 0.13 0.00 0.00 42.46 40.99 2djm s ILE 79 CO 0.00 -0.25 0.00 1.17 -1.91 0.00 0.00 174.94 173.95 2djm n LYS 80 N 0.71 0.00 -3.92 3.50 3.00 0.17 -4.35 118.16 117.27 2djm n LYS 80 Ca -0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.06 2djm n LYS 80 Cb 0.56 -0.58 -0.03 0.00 0.00 0.00 0.00 35.03 34.98 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 -1.56 1.79 0.07 1.64 -1.05 -1.15 0.59 118.70 119.03 2djm s GLU 81 Ca 0.00 -1.21 -0.26 0.00 -0.15 0.00 0.00 54.97 53.35 2djm s GLU 81 Cb 0.00 0.55 0.09 0.00 -0.44 0.00 0.00 34.13 34.33 2djm s GLU 81 CO 0.00 -0.79 1.18 -0.59 0.95 0.00 0.00 175.26 176.01 2djm s PHE 82 N -3.63 0.03 -0.21 4.83 -0.71 -0.58 0.20 117.98 117.90 2djm s PHE 82 Ca 0.17 -0.27 -0.17 0.00 -1.04 0.00 0.00 56.93 55.62 2djm s PHE 82 Cb -0.04 0.62 0.06 0.00 -1.21 0.00 0.00 43.02 42.45 2djm s PHE 82 CO 0.09 -0.54 0.55 1.52 -1.34 0.00 0.00 175.22 175.50 2djm s TYR 83 N -2.15 -0.67 -0.00 3.49 1.13 -0.94 -0.86 117.35 117.35 2djm s TYR 83 Ca 0.25 1.54 -0.18 0.00 -1.41 0.00 0.00 57.07 57.27 2djm s TYR 83 Cb -0.01 0.27 -0.06 0.00 -1.10 0.00 0.00 41.96 41.07 2djm s TYR 83 CO 0.01 -0.33 0.50 0.42 -2.51 0.00 0.00 175.55 173.64 2djm s ILE 84 N 0.65 4.95 -0.14 -3.49 -1.09 -0.99 -2.38 121.20 118.71 2djm s ILE 84 Ca -0.03 1.04 -0.17 0.00 -2.23 0.00 0.00 60.65 59.26 2djm s ILE 84 Cb -0.05 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2djm s ILE 84 CO -0.04 0.50 0.43 -0.54 -1.23 0.00 0.00 174.94 174.06 2djm s LYS 85 N -0.63 4.31 -0.56 2.79 1.02 0.77 0.52 119.74 127.95 2djm s LYS 85 Ca 0.27 0.35 -0.17 0.00 0.02 0.00 0.00 55.97 56.44 2djm s LYS 85 Cb -0.17 -3.45 0.13 0.00 -0.52 0.00 0.00 37.83 33.82 2djm s LYS 85 CO 0.15 0.15 0.56 -0.47 -0.92 0.00 0.00 175.35 174.82 2djm s TYR 86 N 0.67 3.20 -0.07 3.18 5.04 -0.88 -2.31 117.35 126.19 2djm s TYR 86 Ca 0.23 -1.23 0.04 0.00 -2.44 0.00 0.00 57.07 53.67 2djm s TYR 86 Cb -0.15 -3.86 -0.02 0.00 0.35 0.00 0.00 41.96 38.29 2djm s TYR 86 CO 0.09 -1.09 -0.20 -2.00 -1.34 0.00 0.00 175.55 171.01 2djm s GLU 87 N 1.83 2.72 0.12 4.97 2.12 -1.01 -0.63 118.70 128.81 2djm s GLU 87 Ca 0.06 -0.80 -0.08 0.00 0.36 0.00 0.00 54.97 54.50 2djm s GLU 87 Cb -0.28 -2.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 2djm s GLU 87 CO 0.03 0.41 0.22 0.54 -0.54 0.00 0.00 175.26 175.93 2djm s VAL 88 N -0.21 0.11 0.00 3.70 0.11 -0.54 0.83 120.40 124.39 2djm s VAL 88 Ca -0.01 -1.32 0.00 0.00 -2.93 0.00 0.00 61.98 57.72 2djm s VAL 88 Cb -0.13 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.11 2djm s VAL 88 CO 0.03 -0.49 0.79 -0.24 -3.33 0.00 0.00 175.10 171.86 2djm n SER 89 N -0.13 2.25 0.06 3.54 2.88 -0.12 -2.78 113.62 119.34 2djm n SER 89 Ca -0.11 -1.41 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 2djm n SER 89 Cb 0.63 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 0.96 -0.48 2.04 0.46 0.00 -1.26 -5.04 105.19 101.86 2djm n GLY 90 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2djm n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2djm n LYS 91 N -2.84 0.65 -3.73 1.61 4.76 -1.12 -5.17 118.16 112.32 2djm n LYS 91 Ca 0.00 -2.10 -0.13 0.00 -2.87 0.00 0.00 58.31 53.21 2djm n LYS 91 Cb 0.00 1.22 -0.10 0.00 -1.84 0.00 0.00 35.03 34.32 2djm n LYS 91 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2djm s THR 92 N -2.53 0.01 0.02 -0.18 2.01 -1.26 -1.47 115.64 112.24 2djm s THR 92 Ca 0.14 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2djm s THR 92 Cb 0.01 -0.60 -0.00 0.00 0.01 0.00 0.00 72.50 71.92 2djm s THR 92 CO 0.10 -0.04 0.03 -1.22 -0.69 0.00 0.00 174.62 172.80 2djm n TYR 93 N 2.53 -0.32 -3.70 4.92 4.01 0.20 -5.00 117.16 119.80 2djm n TYR 93 Ca -0.15 -0.17 -0.11 0.00 -0.16 0.00 0.00 57.90 57.31 2djm n TYR 93 Cb 0.57 0.03 -0.12 0.00 -0.31 0.00 0.00 39.34 39.51 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 -3.76 -0.50 -1.31 -0.72 2.02 -1.26 -2.07 117.35 109.75 2djm s TYR 94 Ca 0.02 1.09 -0.17 0.00 -0.37 0.00 0.00 57.07 57.64 2djm s TYR 94 Cb 0.00 0.15 0.07 0.00 -0.40 0.00 0.00 41.96 41.78 2djm s TYR 94 CO 0.02 -0.32 1.77 -0.25 -1.57 0.00 0.00 175.55 175.19 2djm n ASP 95 N 4.57 4.86 0.00 2.29 9.92 0.19 -4.56 116.55 133.80 2djm n ASP 95 Ca -0.19 -2.92 0.00 0.00 -0.53 0.00 0.00 54.79 51.15 2djm n ASP 95 Cb 0.53 -1.73 0.00 0.00 -0.64 0.00 0.00 41.12 39.28 2djm n ASP 95 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2djm n ASN 96 N 8.04 0.00 0.00 -2.24 2.85 -1.26 -2.36 115.26 120.29 2djm n ASN 96 Ca 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.96 2djm n ASN 96 Cb 0.45 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.44 2djm n ASN 96 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2djm n ASN 97 N -2.49 0.00 0.00 1.20 3.02 -1.26 -4.09 115.26 111.64 2djm n ASN 97 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2djm n ASN 97 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.00 0.00 -2.70 6.41 5.15 -1.26 -4.93 115.26 117.93 2djm n ASN 98 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 2djm n ASN 98 Cb 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.36 2djm n ASN 98 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2djm n SER 99 N 0.00 -1.11 -0.07 1.20 3.41 -1.26 -5.00 113.62 110.78 2djm n SER 99 Ca 0.00 -2.30 -0.15 0.00 -0.26 0.00 0.00 58.87 56.16 2djm n SER 99 Cb 0.00 0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 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 -1.08 1.75 -0.81 7.33 0.00 -1.26 -5.13 120.51 121.31 2djm n ALA 100 Ca -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2djm n ALA 100 Cb 0.86 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 -3.92 -5.03 -4.65 0.00 4.13 -1.26 -4.87 115.26 99.66 2djm n ASN 101 Ca -0.27 0.55 -0.43 0.00 1.68 0.00 0.00 54.58 56.11 2djm n ASN 101 Cb 0.62 -1.62 -0.02 0.00 -1.54 0.00 0.00 39.78 37.21 2djm n ASN 101 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2djm s TYR 102 N -1.26 2.69 -0.11 3.10 2.02 -0.04 -4.72 117.35 119.03 2djm s TYR 102 Ca 0.00 0.88 -0.30 0.00 -0.37 0.00 0.00 57.07 57.28 2djm s TYR 102 Cb 0.00 -3.65 -0.01 0.00 -0.40 0.00 0.00 41.96 37.89 2djm s TYR 102 CO 0.00 -1.98 1.06 -0.65 -1.57 0.00 0.00 175.55 172.41 2djm s GLN 103 N 3.76 4.38 0.32 -0.62 1.11 -1.26 -1.53 119.66 125.81 2djm s GLN 103 Ca 0.58 1.46 -0.26 0.00 0.01 0.00 0.00 55.36 57.14 2djm s GLN 103 Cb -0.22 -3.57 -0.10 0.00 -1.01 0.00 0.00 33.01 28.12 2djm s GLN 103 CO 0.18 -0.40 0.95 0.08 0.01 0.00 0.00 175.29 176.12 2djm s VAL 104 N 2.26 4.17 -1.42 1.09 1.01 0.20 -4.94 120.40 122.76 2djm s VAL 104 Ca 0.50 1.81 -0.10 0.00 0.00 0.00 0.00 61.98 64.19 2djm s VAL 104 Cb -0.19 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.24 2djm s VAL 104 CO 0.17 0.16 2.33 -0.24 0.00 0.00 0.00 175.10 177.51 2djm n SER 105 N 0.59 6.17 -0.84 3.32 2.88 -1.26 -4.83 113.62 119.65 2djm n SER 105 Ca 0.02 -2.92 0.10 0.00 -1.33 0.00 0.00 58.87 54.74 2djm n SER 105 Cb 0.50 -1.52 0.09 0.00 -0.75 0.00 0.00 64.21 62.52 2djm n SER 105 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16