#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djm n SER 2 N 0.00 2.77 -0.12 0.00 3.41 -1.26 -4.88 113.62 113.54 2djm n SER 2 Ca 0.00 0.76 -0.13 0.00 -0.26 0.00 0.00 58.87 59.24 2djm n SER 2 Cb 0.00 -1.29 -0.02 0.00 -0.26 0.00 0.00 64.21 62.63 2djm n SER 2 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2djm h ILE 3 N 6.07 1.27 -3.47 -1.33 -0.00 -2.04 -3.42 117.51 114.58 2djm h ILE 3 Ca -0.41 -1.52 -0.52 0.00 -0.00 0.00 0.00 64.86 62.41 2djm h ILE 3 Cb 1.30 1.37 0.02 0.00 -0.00 0.00 0.00 36.82 39.50 2djm h ILE 3 CO 0.98 0.51 0.55 -2.16 -0.00 0.00 0.00 178.15 178.02 2djm s PRO 4 N -4.43 4.50 0.24 2.19 0.04 -1.26 -4.84 135.00 131.43 2djm s PRO 4 Ca -0.11 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2djm s PRO 4 Cb 0.11 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2djm s PRO 4 CO 0.87 -0.08 0.00 0.45 0.04 0.00 0.00 177.00 178.29 2djm n SER 5 N 2.58 -1.49 0.00 6.66 2.88 -1.26 -5.04 113.62 117.95 2djm n SER 5 Ca 0.04 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2djm n SER 5 Cb 0.45 1.55 0.00 0.00 -0.75 0.00 0.00 64.21 65.46 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 -3.09 0.00 -0.52 -3.46 7.64 -1.26 -5.05 113.62 107.88 2djm n SER 6 Ca 0.00 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2djm n SER 6 Cb 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.84 0.00 0.32 -0.43 0.00 -1.26 -5.01 120.51 113.29 2djm n ALA 7 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2djm n ALA 7 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.10 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 -4.69 0.00 0.02 -1.97 -3.44 113.55 103.48 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 -0.21 0.00 0.14 0.00 0.00 62.40 62.33 2djm h SER 8 CO 0.00 0.00 -0.28 0.54 -1.14 0.00 0.00 176.83 175.95 2djm s VAL 9 N -3.58 0.04 -0.03 2.27 0.11 -1.26 -0.13 120.40 117.82 2djm s VAL 9 Ca 0.02 -0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 58.67 2djm s VAL 9 Cb 0.09 -0.58 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2djm s VAL 9 CO 0.48 -0.19 0.13 -1.58 -3.33 0.00 0.00 175.10 170.61 2djm s GLN 10 N -0.93 0.28 0.17 1.54 0.74 0.18 -4.46 119.66 117.19 2djm s GLN 10 Ca -0.10 -0.04 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 2djm s GLN 10 Cb -0.04 0.12 -0.08 0.00 1.10 0.00 0.00 33.01 34.10 2djm s GLN 10 CO 0.03 -0.05 1.33 -1.17 -0.55 0.00 0.00 175.29 174.88 2djm s LEU 11 N -0.48 4.40 -0.06 3.68 2.96 -1.26 0.21 118.68 128.13 2djm s LEU 11 Ca -0.06 2.37 -0.01 0.00 -0.22 0.00 0.00 54.13 56.22 2djm s LEU 11 Cb -0.04 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 2djm s LEU 11 CO 0.01 -0.57 -0.02 -0.78 -1.32 0.00 0.00 176.35 173.67 2djm h ASP 12 N 5.82 0.00 -4.46 3.68 1.82 -1.83 -3.43 116.42 118.02 2djm h ASP 12 Ca -0.44 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.26 2djm h ASP 12 Cb 1.21 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 41.03 2djm h ASP 12 CO 0.80 0.29 0.46 -0.44 -1.61 0.00 0.00 179.24 178.73 2djm s SER 13 N -4.38 -0.43 0.05 2.28 0.01 -1.14 -5.04 113.70 105.05 2djm s SER 13 Ca -0.02 0.33 -0.04 0.00 1.31 0.00 0.00 55.95 57.54 2djm s SER 13 Cb 0.00 0.38 -0.02 0.00 0.21 0.00 0.00 66.02 66.59 2djm s SER 13 CO 0.03 -0.49 0.05 -0.72 0.41 0.00 0.00 173.24 172.51 2djm s TYR 14 N -1.78 0.34 0.24 2.43 -0.85 -1.26 -1.04 117.35 115.42 2djm s TYR 14 Ca -0.01 -0.78 0.12 0.00 -0.52 0.00 0.00 57.07 55.87 2djm s TYR 14 Cb -0.01 -0.24 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 2djm s TYR 14 CO -0.00 -0.39 -0.21 -0.80 -1.52 0.00 0.00 175.55 172.63 2djm s ASN 15 N -2.58 3.58 0.02 -0.18 0.01 -0.21 -4.83 114.94 110.76 2djm s ASN 15 Ca 0.02 -0.93 0.01 0.00 -0.71 0.00 0.00 52.86 51.24 2djm s ASN 15 Cb 0.04 -0.32 -0.02 0.00 0.41 0.00 0.00 41.25 41.36 2djm s ASN 15 CO -0.08 0.07 -0.05 -0.47 -1.51 0.00 0.00 177.10 175.07 2djm s TYR 16 N -2.13 0.39 -0.30 2.20 5.04 -1.24 -2.08 117.35 119.23 2djm s TYR 16 Ca 0.26 -0.35 -0.19 0.00 -2.44 0.00 0.00 57.07 54.35 2djm s TYR 16 Cb -0.06 -0.25 0.18 0.00 0.35 0.00 0.00 41.96 42.18 2djm s TYR 16 CO 0.13 -0.09 1.27 0.34 -1.34 0.00 0.00 175.55 175.86 2djm s ASP 17 N -1.03 -0.05 1.18 4.32 2.15 -1.22 -4.91 116.67 117.11 2djm s ASP 17 Ca -0.08 0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.94 2djm s ASP 17 Cb -0.07 1.05 0.00 0.00 -0.30 0.00 0.00 42.92 43.60 2djm s ASP 17 CO -0.00 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 2djm n GLY 18 N 5.02 0.68 2.84 2.66 0.00 -1.26 -2.35 105.19 112.78 2djm n GLY 18 Ca -0.08 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 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 4.03 -0.06 1.61 0.01 -1.26 -5.04 113.70 109.00 2djm s SER 19 Ca 0.00 -2.97 -0.04 0.00 1.31 0.00 0.00 55.95 54.25 2djm s SER 19 Cb 0.00 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 64.88 2djm s SER 19 CO 0.00 -0.22 0.14 -0.89 0.41 0.00 0.00 173.24 172.67 2djm s THR 20 N -0.18 -0.02 0.02 1.44 2.01 -0.99 -4.24 115.64 113.68 2djm s THR 20 Ca 0.19 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.29 2djm s THR 20 Cb -0.22 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.06 2djm s THR 20 CO -0.03 0.03 -0.09 0.12 -0.69 0.00 0.00 174.62 173.97 2djm s PHE 21 N 0.55 0.79 0.00 4.92 5.36 0.78 -3.45 117.98 126.93 2djm s PHE 21 Ca -0.04 -0.31 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 2djm s PHE 21 Cb -0.06 -0.48 0.00 0.00 -0.34 0.00 0.00 43.02 42.15 2djm s PHE 21 CO -0.03 -0.02 0.00 0.43 -1.46 0.00 0.00 175.22 174.14 2djm n SER 22 N 2.14 0.00 0.00 6.13 7.64 -0.89 0.13 113.62 128.77 2djm n SER 22 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2djm n SER 22 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2djm n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djm n GLY 23 N -0.10 -2.22 3.73 0.23 0.00 0.15 -1.04 105.19 105.94 2djm n GLY 23 Ca 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.14 1.17 0.09 1.61 0.00 -0.21 -1.87 119.74 120.39 2djm s LYS 24 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 55.97 55.38 2djm s LYS 24 Cb 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 37.83 38.20 2djm s LYS 24 CO 0.00 -0.53 -0.11 0.42 0.00 0.00 0.00 175.35 175.12 2djm s ILE 25 N -3.28 1.02 -0.33 3.79 1.01 0.19 -2.88 121.20 120.73 2djm s ILE 25 Ca 0.12 -1.57 -0.00 0.00 0.00 0.00 0.00 60.65 59.20 2djm s ILE 25 Cb -0.01 -1.30 0.07 0.00 0.01 0.00 0.00 42.46 41.23 2djm s ILE 25 CO 0.01 -0.46 0.04 -0.47 0.00 0.00 0.00 174.94 174.06 2djm s TYR 26 N -2.13 3.43 0.04 3.97 6.14 0.13 -1.59 117.35 127.36 2djm s TYR 26 Ca 0.04 -2.28 0.07 0.00 0.64 0.00 0.00 57.07 55.54 2djm s TYR 26 Cb -0.05 -2.49 -0.02 0.00 0.42 0.00 0.00 41.96 39.81 2djm s TYR 26 CO 0.01 -0.88 -0.19 0.54 0.64 0.00 0.00 175.55 175.67 2djm s VAL 27 N 1.14 1.54 0.34 3.14 0.11 -0.79 0.51 120.40 126.39 2djm s VAL 27 Ca 0.00 -1.16 -0.13 0.00 -2.93 0.00 0.00 61.98 57.77 2djm s VAL 27 Cb -0.20 -1.35 -0.08 0.00 -1.53 0.00 0.00 36.38 33.22 2djm s VAL 27 CO -0.04 0.15 0.73 -0.75 -3.33 0.00 0.00 175.10 171.87 2djm s LYS 28 N -1.18 3.90 -0.30 1.54 2.20 0.82 0.62 119.74 127.34 2djm s LYS 28 Ca 0.06 0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 56.12 2djm s LYS 28 Cb -0.09 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 2djm s LYS 28 CO 0.02 0.10 0.18 0.54 -0.36 0.00 0.00 175.35 175.82 2djm s ASN 29 N -2.61 5.78 -0.18 1.43 4.22 -1.05 -4.81 114.94 117.72 2djm s ASN 29 Ca 0.52 -0.28 -0.21 0.00 -2.14 0.00 0.00 52.86 50.76 2djm s ASN 29 Cb -0.10 -2.07 -0.21 0.00 1.28 0.00 0.00 41.25 40.15 2djm s ASN 29 CO 0.23 -0.14 0.33 0.40 -2.04 0.00 0.00 177.10 175.88 2djm h ILE 30 N 5.50 1.02 -1.15 0.54 1.08 -1.95 -3.48 117.51 119.07 2djm h ILE 30 Ca -0.34 -2.23 0.00 0.00 -0.39 0.00 0.00 64.86 61.90 2djm h ILE 30 Cb 1.17 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 37.36 2djm h ILE 30 CO 0.59 0.43 0.00 0.00 -0.69 0.00 0.00 178.15 178.49 2djm n ALA 31 N -3.24 0.00 -0.11 1.87 0.00 -1.26 -5.10 120.51 112.68 2djm n ALA 31 Ca -0.29 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 52.94 2djm n ALA 31 Cb 0.71 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.30 0.00 9.36 -1.26 -4.72 117.16 118.23 2djm n TYR 32 Ca 0.00 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.87 2djm n TYR 32 Cb 0.00 -0.77 -0.03 0.00 -0.63 0.00 0.00 39.34 37.91 2djm n TYR 32 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2djm s SER 33 N -6.79 5.85 0.21 2.98 0.01 -1.26 -4.93 113.70 109.76 2djm s SER 33 Ca -0.29 -2.04 0.05 0.00 1.31 0.00 0.00 55.95 54.98 2djm s SER 33 Cb 0.11 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2djm s SER 33 CO 0.39 -2.22 0.22 -0.54 0.41 0.00 0.00 173.24 171.50 2djm s LYS 34 N 5.45 3.10 -0.11 12.44 1.02 -1.26 -4.26 119.74 136.12 2djm s LYS 34 Ca 0.62 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.75 2djm s LYS 34 Cb 0.01 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2djm s LYS 34 CO 0.11 0.45 -0.11 0.15 -0.92 0.00 0.00 175.35 175.03 2djm s LYS 35 N -3.54 1.83 -0.15 1.68 1.02 0.47 -5.04 119.74 116.02 2djm s LYS 35 Ca 0.33 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.92 2djm s LYS 35 Cb -0.09 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 2djm s LYS 35 CO 0.26 -0.14 -0.17 0.08 -0.92 0.00 0.00 175.35 174.46 2djm s VAL 36 N 1.25 2.53 -0.03 3.17 1.01 -1.26 -0.18 120.40 126.89 2djm s VAL 36 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2djm s VAL 36 Cb -0.14 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.21 2djm s VAL 36 CO -0.04 0.52 0.01 0.42 0.00 0.00 0.00 175.10 176.02 2djm s THR 37 N 0.80 0.08 -0.22 3.92 -4.23 -0.52 -0.54 115.64 114.92 2djm s THR 37 Ca -0.06 0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.45 2djm s THR 37 Cb -0.15 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 2djm s THR 37 CO -0.00 0.13 0.36 -0.69 -0.54 0.00 0.00 174.62 173.87 2djm s VAL 38 N 1.09 5.22 -0.41 2.29 1.01 0.12 0.57 120.40 130.29 2djm s VAL 38 Ca -0.09 0.59 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 2djm s VAL 38 Cb -0.13 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2djm s VAL 38 CO -0.02 0.25 0.27 -0.69 0.00 0.00 0.00 175.10 174.90 2djm s VAL 39 N 1.44 4.80 0.03 2.92 1.01 -1.06 -0.66 120.40 128.88 2djm s VAL 39 Ca 0.16 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 2djm s VAL 39 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2djm s VAL 39 CO 0.08 -0.36 0.16 -0.72 0.00 0.00 0.00 175.10 174.26 2djm s TYR 40 N 1.58 3.43 -0.85 5.22 -0.85 -0.98 -2.33 117.35 122.56 2djm s TYR 40 Ca 0.03 0.25 -0.22 0.00 -0.52 0.00 0.00 57.07 56.61 2djm s TYR 40 Cb -0.21 -1.75 0.09 0.00 0.38 0.00 0.00 41.96 40.46 2djm s TYR 40 CO 0.07 0.59 1.16 0.00 -1.52 0.00 0.00 175.55 175.85 2djm s ALA 41 N -1.37 3.09 0.73 9.51 0.00 0.25 -4.70 121.76 129.25 2djm s ALA 41 Ca 0.29 -2.24 0.00 0.00 0.00 0.00 0.00 51.96 50.01 2djm s ALA 41 Cb -0.13 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.88 2djm s ALA 41 CO 0.22 -3.09 0.00 -3.47 0.00 0.00 0.00 175.76 169.42 2djm n ASP 42 N 7.68 -0.55 0.19 0.00 2.03 -1.26 -0.91 116.55 123.74 2djm n ASP 42 Ca 0.16 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.58 2djm n ASP 42 Cb 0.48 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.52 2djm n ASP 42 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2djm h GLY 43 N -0.28 0.00 1.84 0.27 0.00 -1.83 0.40 103.07 103.47 2djm h GLY 43 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2djm h GLY 43 CO 0.00 0.00 0.06 0.23 0.00 0.00 0.00 176.54 176.83 2djm h SER 44 N 0.00 0.00 -0.24 0.19 0.87 -1.90 -3.45 113.55 109.01 2djm h SER 44 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 2djm h SER 44 Cb 0.15 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 2djm h SER 44 CO 0.00 0.00 -0.09 -0.67 -0.53 0.00 0.00 176.83 175.54 2djm n ASP 45 N -3.93 -4.35 -3.50 6.23 2.03 0.14 -4.90 116.55 108.26 2djm n ASP 45 Ca -0.01 0.13 -0.16 0.00 0.52 0.00 0.00 54.79 55.26 2djm n ASP 45 Cb 0.16 -2.30 -0.05 0.00 -0.72 0.00 0.00 41.12 38.21 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 -2.44 -0.63 -0.71 1.67 0.01 -1.26 -4.97 114.94 106.60 2djm s ASN 46 Ca 0.00 0.53 -0.17 0.00 -0.71 0.00 0.00 52.86 52.51 2djm s ASN 46 Cb 0.00 0.55 0.14 0.00 0.41 0.00 0.00 41.25 42.36 2djm s ASN 46 CO 0.00 -0.70 0.78 0.26 -1.51 0.00 0.00 177.10 175.93 2djm s TRP 47 N -1.83 3.26 -0.67 2.20 0.51 -1.26 -4.50 118.94 116.65 2djm s TRP 47 Ca -0.08 -1.37 0.02 0.00 -2.12 0.00 0.00 56.10 52.55 2djm s TRP 47 Cb -0.00 -3.99 0.12 0.00 -0.81 0.00 0.00 33.47 28.79 2djm s TRP 47 CO 0.04 -1.22 0.80 0.27 -0.51 0.00 0.00 176.95 176.34 2djm n ASN 48 N 5.60 2.08 -3.49 2.95 0.23 -1.26 -4.86 115.26 116.51 2djm n ASN 48 Ca 0.03 -2.17 -0.19 0.00 -0.53 0.00 0.00 54.58 51.72 2djm n ASN 48 Cb 0.45 -0.53 0.02 0.00 -2.08 0.00 0.00 39.78 37.63 2djm n ASN 48 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2djm n ASN 49 N 0.14 -6.09 0.02 0.53 3.02 -1.26 -4.97 115.26 106.65 2djm n ASN 49 Ca 0.05 -0.68 -0.02 0.00 -0.03 0.00 0.00 54.58 53.91 2djm n ASN 49 Cb 0.47 -3.65 -0.01 0.00 -0.61 0.00 0.00 39.78 35.98 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 -2.40 1.07 0.00 6.41 5.15 -1.26 -5.10 115.26 119.13 2djm n ASN 50 Ca -0.12 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 2djm n ASN 50 Cb 0.59 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 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 3.06 0.34 2.97 8.20 0.00 -1.26 -5.11 105.19 113.39 2djm n GLY 51 Ca -0.03 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 4.97 0.13 1.61 0.01 -1.26 -5.07 114.94 115.32 2djm s ASN 52 Ca 0.00 -3.51 0.11 0.00 -0.71 0.00 0.00 52.86 48.75 2djm s ASN 52 Cb 0.00 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 39.90 2djm s ASN 52 CO 0.00 -0.17 -0.26 -0.51 -1.51 0.00 0.00 177.10 174.65 2djm s ILE 53 N -0.99 2.36 -0.03 0.60 1.10 -1.26 -2.33 121.20 120.65 2djm s ILE 53 Ca 0.22 -1.71 0.04 0.00 -0.51 0.00 0.00 60.65 58.69 2djm s ILE 53 Cb -0.12 -2.05 -0.01 0.00 0.15 0.00 0.00 42.46 40.43 2djm s ILE 53 CO -0.10 0.09 -0.15 -0.51 -2.11 0.00 0.00 174.94 172.16 2djm s ILE 54 N -1.07 1.23 -0.08 2.00 1.10 0.17 -4.94 121.20 119.60 2djm s ILE 54 Ca 0.15 -0.63 -0.08 0.00 -0.51 0.00 0.00 60.65 59.58 2djm s ILE 54 Cb -0.10 -1.04 -0.04 0.00 0.15 0.00 0.00 42.46 41.42 2djm s ILE 54 CO 0.07 0.35 0.19 0.00 -2.11 0.00 0.00 174.94 173.44 2djm s ALA 55 N -0.13 3.86 0.10 1.50 0.00 -1.26 0.14 121.76 125.97 2djm s ALA 55 Ca 0.01 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 2djm s ALA 55 Cb -0.08 -2.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 2djm s ALA 55 CO 0.01 0.62 0.39 0.00 0.00 0.00 0.00 175.76 176.77 2djm s ALA 56 N -1.08 3.74 0.07 0.00 0.00 0.30 -4.84 121.76 119.94 2djm s ALA 56 Ca 0.18 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.75 2djm s ALA 56 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2djm s ALA 56 CO 0.07 0.60 -0.02 -1.54 0.00 0.00 0.00 175.76 174.87 2djm s SER 57 N -1.96 4.91 0.34 0.00 1.04 -0.37 -4.62 113.70 113.02 2djm s SER 57 Ca 0.35 -0.17 -0.28 0.00 0.48 0.00 0.00 55.95 56.34 2djm s SER 57 Cb -0.13 -1.16 -0.09 0.00 0.10 0.00 0.00 66.02 64.74 2djm s SER 57 CO 0.20 0.21 1.16 -0.36 0.98 0.00 0.00 173.24 175.42 2djm s PHE 58 N -1.22 3.29 -0.07 5.02 0.08 -1.26 -0.26 117.98 123.55 2djm s PHE 58 Ca 0.23 1.59 -0.02 0.00 0.12 0.00 0.00 56.93 58.86 2djm s PHE 58 Cb -0.12 -3.39 -0.04 0.00 -0.57 0.00 0.00 43.02 38.91 2djm s PHE 58 CO 0.15 -1.06 -0.08 0.45 -0.10 0.00 0.00 175.22 174.59 2djm n SER 59 N 0.66 1.93 0.00 1.36 2.88 0.12 -4.70 113.62 115.87 2djm n SER 59 Ca 0.01 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2djm n SER 59 Cb 0.45 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 2.86 2.28 0.00 0.46 0.00 0.13 -4.95 105.19 105.97 2djm n GLY 60 Ca -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 0.00 -2.12 1.61 -0.02 -1.26 -2.65 135.00 130.56 2djm n PRO 61 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 2djm n PRO 61 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 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 -2.72 3.53 0.32 4.25 1.01 -1.26 -4.91 121.20 121.42 2djm s ILE 62 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.21 2djm s ILE 62 Cb 0.00 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 2djm s ILE 62 CO 0.00 -1.08 0.03 -0.55 0.00 0.00 0.00 174.94 173.34 2djm s SER 63 N 7.40 4.37 -0.63 3.58 0.15 -1.26 -4.05 113.70 123.25 2djm s SER 63 Ca 0.67 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2djm s SER 63 Cb -0.05 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2djm s SER 63 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2djm n GLY 64 N -0.98 0.73 3.71 9.45 0.00 -1.26 -4.99 105.19 111.85 2djm n GLY 64 Ca -0.04 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.90 0.08 -0.31 1.61 0.01 -1.26 -5.03 113.70 105.89 2djm s SER 65 Ca 0.00 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.26 2djm s SER 65 Cb 0.00 0.72 0.38 0.00 0.21 0.00 0.00 66.02 67.33 2djm s SER 65 CO 0.00 -1.39 1.68 0.59 0.41 0.00 0.00 173.24 174.53 2djm n ASN 66 N -0.90 4.26 -3.89 2.44 4.13 -1.26 -4.87 115.26 115.17 2djm n ASN 66 Ca -0.04 -3.06 -0.25 0.00 1.68 0.00 0.00 54.58 52.91 2djm n ASN 66 Cb 0.60 -0.79 -0.07 0.00 -1.54 0.00 0.00 39.78 37.99 2djm n ASN 66 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2djm n TYR 67 N -0.39 0.21 -3.67 3.10 4.02 -1.26 -2.54 117.16 116.64 2djm n TYR 67 Ca 0.37 -2.56 -0.14 0.00 -0.01 0.00 0.00 57.90 55.56 2djm n TYR 67 Cb 1.08 -0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 40.30 2djm n TYR 67 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2djm s GLU 68 N -3.54 0.86 -0.19 -0.72 2.12 0.20 -4.65 118.70 112.78 2djm s GLU 68 Ca 0.19 -0.15 -0.07 0.00 0.36 0.00 0.00 54.97 55.30 2djm s GLU 68 Cb 0.01 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.75 2djm s GLU 68 CO 0.13 -0.27 0.05 -0.47 -0.54 0.00 0.00 175.26 174.17 2djm s TYR 69 N -1.73 3.21 0.12 5.30 5.04 -1.08 -1.89 117.35 126.32 2djm s TYR 69 Ca -0.10 -0.02 0.09 0.00 -2.44 0.00 0.00 57.07 54.60 2djm s TYR 69 Cb -0.02 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 2djm s TYR 69 CO 0.03 0.08 -0.21 -1.58 -1.34 0.00 0.00 175.55 172.53 2djm s TRP 70 N 0.49 1.87 0.05 4.97 0.52 -0.62 0.22 118.94 126.45 2djm s TRP 70 Ca 0.02 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.77 2djm s TRP 70 Cb -0.13 -1.00 -0.02 0.00 -1.15 0.00 0.00 33.47 31.17 2djm s TRP 70 CO 0.01 0.25 -0.15 0.95 0.02 0.00 0.00 176.95 178.04 2djm s THR 71 N -1.35 1.15 -0.22 2.01 -4.23 0.63 0.55 115.64 114.18 2djm s THR 71 Ca 0.10 -1.13 -0.26 0.00 -1.18 0.00 0.00 61.69 59.21 2djm s THR 71 Cb -0.09 -1.06 0.08 0.00 1.34 0.00 0.00 72.50 72.76 2djm s THR 71 CO 0.05 -0.07 0.74 0.72 -0.54 0.00 0.00 174.62 175.52 2djm s PHE 72 N -1.00 -0.73 0.06 3.99 -0.71 -0.78 -1.24 117.98 117.57 2djm s PHE 72 Ca 0.01 1.67 0.08 0.00 -1.04 0.00 0.00 56.93 57.65 2djm s PHE 72 Cb -0.09 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.01 2djm s PHE 72 CO 0.02 -0.42 -0.21 -1.12 -1.34 0.00 0.00 175.22 172.15 2djm s SER 73 N 0.00 2.48 -0.14 1.98 0.01 -1.26 -0.67 113.70 116.10 2djm s SER 73 Ca -0.02 -0.57 -0.04 0.00 1.31 0.00 0.00 55.95 56.63 2djm s SER 73 Cb -0.04 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.06 2djm s SER 73 CO 0.02 0.13 0.06 0.00 0.41 0.00 0.00 173.24 173.86 2djm s ALA 74 N -0.91 0.56 -0.71 1.44 0.00 0.12 -4.98 121.76 117.28 2djm s ALA 74 Ca 0.07 -0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.47 2djm s ALA 74 Cb -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.09 2djm s ALA 74 CO 0.03 -0.96 1.36 0.45 0.00 0.00 0.00 175.76 176.63 2djm s SER 75 N 2.06 6.05 0.19 0.00 0.15 -1.26 -0.16 113.70 120.73 2djm s SER 75 Ca 0.02 -0.29 0.05 0.00 0.70 0.00 0.00 55.95 56.43 2djm s SER 75 Cb -0.15 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 2djm s SER 75 CO -0.07 -1.89 0.20 0.68 1.20 0.00 0.00 173.24 173.36 2djm s VAL 76 N 6.16 4.75 -1.30 4.45 -7.23 -1.26 -4.97 120.40 121.00 2djm s VAL 76 Ca 0.40 -1.04 0.19 0.00 -1.81 0.00 0.00 61.98 59.71 2djm s VAL 76 Cb -0.09 -3.47 -0.10 0.00 0.56 0.00 0.00 36.38 33.27 2djm s VAL 76 CO 0.17 -0.17 0.87 2.29 -0.31 0.00 0.00 175.10 177.94 2djm n LYS 77 N -0.67 1.23 0.00 4.82 0.00 -1.26 -4.44 118.16 117.84 2djm n LYS 77 Ca -0.08 -0.44 0.00 0.00 -0.00 0.00 0.00 58.31 57.79 2djm n LYS 77 Cb 0.55 -1.36 0.00 0.00 -0.00 0.00 0.00 35.03 34.22 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 1.36 2.19 3.61 2.58 0.00 -1.26 -4.89 105.19 108.78 2djm n GLY 78 Ca 0.06 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.21 0.00 0.00 -0.61 2.07 -1.26 -2.62 121.20 117.57 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 0.29 -1.91 0.00 0.00 174.94 173.32 2djm n LYS 80 N 2.30 0.00 -3.74 3.50 4.76 -0.08 -4.78 118.16 120.11 2djm n LYS 80 Ca -0.15 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.19 2djm n LYS 80 Cb 0.55 -0.61 -0.05 0.00 -1.84 0.00 0.00 35.03 33.08 2djm n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2djm s GLU 81 N -1.97 1.15 0.10 1.97 -1.05 -1.15 -0.55 118.70 117.19 2djm s GLU 81 Ca 0.00 -0.86 -0.26 0.00 -0.15 0.00 0.00 54.97 53.70 2djm s GLU 81 Cb 0.00 0.46 0.09 0.00 -0.44 0.00 0.00 34.13 34.23 2djm s GLU 81 CO 0.00 -0.45 1.11 -0.59 0.95 0.00 0.00 175.26 176.28 2djm s PHE 82 N -3.86 -0.03 0.03 4.83 -0.71 -0.86 0.84 117.98 118.23 2djm s PHE 82 Ca 0.07 -0.22 -0.22 0.00 -1.04 0.00 0.00 56.93 55.52 2djm s PHE 82 Cb 0.02 0.62 0.05 0.00 -1.21 0.00 0.00 43.02 42.50 2djm s PHE 82 CO -0.07 -0.63 0.50 1.52 -1.34 0.00 0.00 175.22 175.20 2djm s TYR 83 N -2.58 -0.40 0.23 3.49 1.13 -0.98 0.21 117.35 118.44 2djm s TYR 83 Ca 0.18 0.49 -0.06 0.00 -1.41 0.00 0.00 57.07 56.26 2djm s TYR 83 Cb 0.00 0.31 -0.06 0.00 -1.10 0.00 0.00 41.96 41.11 2djm s TYR 83 CO 0.01 -0.61 0.51 0.42 -2.51 0.00 0.00 175.55 173.37 2djm s ILE 84 N -2.21 5.03 -0.31 -3.49 1.01 0.89 -2.56 121.20 119.56 2djm s ILE 84 Ca -0.07 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 2djm s ILE 84 Cb -0.01 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.81 2djm s ILE 84 CO 0.00 -0.15 0.11 -0.54 0.00 0.00 0.00 174.94 174.36 2djm s LYS 85 N -3.08 3.06 -0.60 2.79 -0.14 0.19 -1.81 119.74 120.16 2djm s LYS 85 Ca 0.44 -0.88 -0.21 0.00 -1.36 0.00 0.00 55.97 53.96 2djm s LYS 85 Cb -0.11 -3.44 0.08 0.00 -1.68 0.00 0.00 37.83 32.68 2djm s LYS 85 CO 0.25 -0.48 0.81 -0.47 -0.76 0.00 0.00 175.35 174.70 2djm s TYR 86 N 1.51 2.87 -0.35 3.18 5.04 -0.44 -1.44 117.35 127.72 2djm s TYR 86 Ca 0.02 -0.67 -0.09 0.00 -2.44 0.00 0.00 57.07 53.88 2djm s TYR 86 Cb -0.18 -4.05 0.02 0.00 0.35 0.00 0.00 41.96 38.11 2djm s TYR 86 CO 0.03 -1.39 0.17 -2.00 -1.34 0.00 0.00 175.55 171.02 2djm s GLU 87 N 3.28 2.86 0.26 4.97 2.12 0.74 -1.36 118.70 131.57 2djm s GLU 87 Ca 0.17 -1.04 0.08 0.00 0.36 0.00 0.00 54.97 54.54 2djm s GLU 87 Cb -0.20 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 2djm s GLU 87 CO 0.09 -0.64 0.11 0.08 -0.54 0.00 0.00 175.26 174.36 2djm s VAL 88 N 1.52 4.02 0.00 3.70 1.01 -0.26 -0.40 120.40 130.00 2djm s VAL 88 Ca 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2djm s VAL 88 Cb -0.19 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2djm s VAL 88 CO 0.05 -0.35 1.32 -0.24 0.00 0.00 0.00 175.10 175.88 2djm n SER 89 N -1.03 3.73 0.00 3.32 2.88 -1.26 -3.59 113.62 117.67 2djm n SER 89 Ca -0.07 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 2djm n SER 89 Cb 0.58 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.88 -0.38 1.40 0.46 0.00 -1.26 -5.14 105.19 101.15 2djm n GLY 90 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.11 1.03 -3.74 1.61 4.76 -1.24 -5.17 118.16 113.31 2djm n LYS 91 Ca 0.00 -1.43 -0.13 0.00 -2.87 0.00 0.00 58.31 53.87 2djm n LYS 91 Cb 0.00 0.64 -0.10 0.00 -1.84 0.00 0.00 35.03 33.73 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 -2.02 0.00 0.00 -0.18 2.01 -1.26 -1.10 115.64 113.10 2djm s THR 92 Ca 0.06 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.02 2djm s THR 92 Cb 0.00 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.96 2djm s THR 92 CO 0.04 -0.02 0.00 -1.22 -0.69 0.00 0.00 174.62 172.73 2djm n TYR 93 N 2.74 -0.13 -3.95 4.92 4.01 -0.46 -4.99 117.16 119.29 2djm n TYR 93 Ca -0.14 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.52 2djm n TYR 93 Cb 0.57 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.52 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 -2.72 0.31 -0.18 -0.72 2.02 -1.26 -1.32 117.35 113.48 2djm s TYR 94 Ca 0.00 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 2djm s TYR 94 Cb 0.00 -0.19 0.04 0.00 -0.40 0.00 0.00 41.96 41.41 2djm s TYR 94 CO 0.00 -0.49 -0.09 0.34 -1.57 0.00 0.00 175.55 173.74 2djm s ASP 95 N -2.89 3.03 0.11 2.29 2.15 -0.75 -4.50 116.67 116.11 2djm s ASP 95 Ca 0.07 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.33 2djm s ASP 95 Cb 0.06 -1.09 0.00 0.00 -0.30 0.00 0.00 42.92 41.59 2djm s ASP 95 CO -0.10 -0.14 0.00 -3.20 -0.17 0.00 0.00 175.17 171.56 2djm n ASN 96 N 4.78 -0.52 0.00 -0.34 2.85 -1.26 -0.07 115.26 120.69 2djm n ASN 96 Ca -0.14 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 2djm n ASN 96 Cb 0.48 0.65 0.00 0.00 1.24 0.00 0.00 39.78 42.15 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 -2.81 0.00 0.00 1.20 3.02 -1.26 -4.33 115.26 111.08 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 -2.69 6.41 5.15 -1.26 -4.97 115.26 117.90 2djm n ASN 98 Ca 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.92 2djm n ASN 98 Cb 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.34 2djm n ASN 98 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2djm n SER 99 N 0.00 -1.74 0.00 1.20 2.88 -1.26 -5.04 113.62 109.66 2djm n SER 99 Ca 0.00 -2.42 0.00 0.00 -1.33 0.00 0.00 58.87 55.12 2djm n SER 99 Cb 0.00 1.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.74 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 0.99 2.49 -0.77 -1.46 0.00 -1.26 -5.16 120.51 115.34 2djm n ALA 100 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2djm n ALA 100 Cb 0.71 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -2.50 -4.42 -4.61 0.00 3.02 -1.26 -4.81 115.26 100.68 2djm n ASN 101 Ca 0.00 0.74 -0.43 0.00 -0.03 0.00 0.00 54.58 54.86 2djm n ASN 101 Cb 0.34 -1.88 -0.02 0.00 -0.61 0.00 0.00 39.78 37.61 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 -3.62 2.87 -0.46 3.10 2.02 0.13 -4.77 117.35 116.63 2djm s TYR 102 Ca 0.00 0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 57.22 2djm s TYR 102 Cb 0.00 -4.30 0.03 0.00 -0.40 0.00 0.00 41.96 37.29 2djm s TYR 102 CO 0.00 -1.19 1.14 -0.65 -1.57 0.00 0.00 175.55 173.28 2djm s GLN 103 N 4.31 3.75 0.28 -0.62 1.11 -1.26 -2.02 119.66 125.22 2djm s GLN 103 Ca 0.48 0.62 -0.28 0.00 0.01 0.00 0.00 55.36 56.19 2djm s GLN 103 Cb -0.08 -3.89 -0.09 0.00 -1.01 0.00 0.00 33.01 27.93 2djm s GLN 103 CO 0.29 -1.34 0.95 0.08 0.01 0.00 0.00 175.29 175.27 2djm s VAL 104 N 4.41 4.11 -0.51 1.09 1.01 0.29 -4.99 120.40 125.81 2djm s VAL 104 Ca 0.48 1.94 -0.21 0.00 0.00 0.00 0.00 61.98 64.19 2djm s VAL 104 Cb -0.08 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.19 2djm s VAL 104 CO 0.30 0.32 0.74 -0.55 0.00 0.00 0.00 175.10 175.92 2djm s SER 105 N -1.38 6.28 0.00 3.32 0.15 -1.26 -4.83 113.70 115.98 2djm s SER 105 Ca 0.46 -0.62 0.27 0.00 0.70 0.00 0.00 55.95 56.76 2djm s SER 105 Cb -0.23 -2.35 0.90 0.00 -1.71 0.00 0.00 66.02 62.64 2djm s SER 105 CO 0.28 -1.00 1.66 0.41 1.20 0.00 0.00 173.24 175.80