#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot4 h PRO 2 N 0.00 -0.04 -3.37 -0.41 0.13 -2.03 -3.44 132.00 122.85 1ot4 h PRO 2 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1ot4 h PRO 2 Cb 0.00 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 1ot4 h PRO 2 CO 0.00 0.64 -0.52 0.15 -0.23 0.00 0.00 178.00 178.04 1ot4 s LYS 3 N -3.14 0.24 1.19 0.86 1.02 -1.26 -4.88 119.74 113.77 1ot4 s LYS 3 Ca -0.16 0.12 -0.18 0.00 0.02 0.00 0.00 55.97 55.77 1ot4 s LYS 3 Cb -0.01 0.11 0.22 0.00 -0.52 0.00 0.00 37.83 37.63 1ot4 s LYS 3 CO 0.62 -0.04 0.45 1.47 -0.92 0.00 0.00 175.35 176.93 1ot4 n LEU 4 N 2.73 -1.61 0.00 3.17 -0.00 -1.26 -4.96 117.00 115.06 1ot4 n LEU 4 Ca -0.14 -0.37 0.00 0.00 -0.00 0.00 0.00 56.01 55.50 1ot4 n LEU 4 Cb 0.58 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 1ot4 n LEU 4 CO 0.21 -3.50 0.21 0.52 -0.00 0.00 0.00 177.39 174.84 1ot4 n VAL 5 N -4.85 0.00 -4.08 1.47 0.31 -1.25 -4.91 118.33 105.02 1ot4 n VAL 5 Ca 0.05 0.91 -0.13 0.00 -0.01 0.00 0.00 64.34 65.15 1ot4 n VAL 5 Cb 0.54 -1.86 -0.12 0.00 -0.91 0.00 0.00 33.84 31.48 1ot4 n VAL 5 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ot4 s SER 6 N -1.96 0.76 0.24 4.52 0.01 -1.22 -5.05 113.70 110.99 1ot4 s SER 6 Ca 0.00 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 1ot4 s SER 6 Cb 0.00 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.26 1ot4 s SER 6 CO 0.00 -0.15 0.59 -0.94 0.41 0.00 0.00 173.24 173.16 1ot4 s SER 7 N -1.23 -0.22 -0.36 2.44 1.04 -1.26 0.10 113.70 114.21 1ot4 s SER 7 Ca -0.08 -0.65 0.14 0.00 0.48 0.00 0.00 55.95 55.85 1ot4 s SER 7 Cb -0.08 0.64 0.38 0.00 0.10 0.00 0.00 66.02 67.07 1ot4 s SER 7 CO 0.00 -1.20 0.80 0.41 0.98 0.00 0.00 173.24 174.23 1ot4 n THR 8 N -0.40 0.19 0.04 2.02 -1.04 0.14 -4.91 114.28 110.32 1ot4 n THR 8 Ca -0.05 -4.15 -0.09 0.00 -2.04 0.00 0.00 64.05 57.73 1ot4 n THR 8 Cb 0.61 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.06 1ot4 n THR 8 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1ot4 h PRO 9 N 3.00 -0.20 0.00 -2.82 0.13 -1.85 -1.42 132.00 128.84 1ot4 h PRO 9 Ca 0.04 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1ot4 h PRO 9 Cb 1.03 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ot4 h PRO 9 CO 0.50 0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1ot4 n ALA 10 N -2.65 0.00 -1.42 -0.56 0.00 -1.26 -4.50 120.51 110.12 1ot4 n ALA 10 Ca -0.06 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.91 1ot4 n ALA 10 Cb 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.55 1ot4 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ot4 n GLU 11 N 0.00 0.16 -3.42 0.00 1.02 -1.26 0.44 120.64 117.57 1ot4 n GLU 11 Ca 0.00 0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 1ot4 n GLU 11 Cb 0.00 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.67 1ot4 n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ot4 n GLY 12 N 6.78 -0.46 3.55 0.62 0.00 0.17 -4.76 105.19 111.09 1ot4 n GLY 12 Ca 0.59 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 46.29 1ot4 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ot4 s SER 13 N -2.60 5.20 -0.22 1.61 0.01 0.17 -4.71 113.70 113.15 1ot4 s SER 13 Ca 0.39 0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.75 1ot4 s SER 13 Cb -0.22 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 1ot4 s SER 13 CO 0.47 -2.49 -0.01 -1.61 0.41 0.00 0.00 173.24 170.02 1ot4 s GLU 14 N 7.10 3.49 0.00 12.44 2.02 -1.26 0.25 118.70 142.74 1ot4 s GLU 14 Ca 0.69 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 55.11 1ot4 s GLU 14 Cb -0.12 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1ot4 s GLU 14 CO 0.16 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.69 1ot4 n GLY 15 N 4.75 3.67 3.63 -1.39 0.00 -1.24 -4.94 105.19 109.67 1ot4 n GLY 15 Ca -0.17 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 1ot4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 s ALA 16 N 0.00 -2.08 0.22 4.61 0.00 -1.25 -0.65 121.76 122.60 1ot4 s ALA 16 Ca 0.00 1.81 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1ot4 s ALA 16 Cb 0.00 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.66 1ot4 s ALA 16 CO 0.00 -0.24 1.19 0.00 0.00 0.00 0.00 175.76 176.71 1ot4 s ALA 17 N -0.92 3.44 0.69 0.00 0.00 -1.26 -4.79 121.76 118.92 1ot4 s ALA 17 Ca 0.06 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 1ot4 s ALA 17 Cb -0.01 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1ot4 s ALA 17 CO -0.06 -0.35 1.06 -1.25 0.00 0.00 0.00 175.76 175.15 1ot4 s PRO 18 N -0.59 2.97 0.11 0.00 0.04 -1.26 -4.97 135.00 131.30 1ot4 s PRO 18 Ca 0.51 0.96 -0.33 0.00 0.04 0.00 0.00 61.00 62.18 1ot4 s PRO 18 Cb -0.33 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.10 1ot4 s PRO 18 CO 0.39 -1.07 1.57 0.00 0.04 0.00 0.00 177.00 177.92 1ot4 h ALA 19 N -0.65 -0.86 -2.68 8.56 0.00 -1.95 -3.45 119.26 118.23 1ot4 h ALA 19 Ca -0.44 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1ot4 h ALA 19 Cb 1.21 0.88 -0.13 0.00 0.00 0.00 0.00 17.79 19.75 1ot4 h ALA 19 CO 0.57 -1.06 -0.19 -1.59 0.00 0.00 0.00 179.25 176.98 1ot4 s LYS 20 N -5.80 1.07 0.13 0.00 -2.85 -1.26 -4.74 119.74 106.28 1ot4 s LYS 20 Ca -0.16 -0.89 -0.24 0.00 -1.00 0.00 0.00 55.97 53.68 1ot4 s LYS 20 Cb 0.07 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.19 1ot4 s LYS 20 CO 0.62 -0.40 0.73 0.42 0.10 0.00 0.00 175.35 176.82 1ot4 s ILE 21 N -3.86 4.50 0.14 3.79 1.01 0.13 -4.83 121.20 122.08 1ot4 s ILE 21 Ca 0.07 1.58 0.09 0.00 0.00 0.00 0.00 60.65 62.39 1ot4 s ILE 21 Cb 0.03 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1ot4 s ILE 21 CO -0.08 0.51 -0.16 -0.70 0.00 0.00 0.00 174.94 174.51 1ot4 s GLU 22 N -0.98 1.84 -0.07 2.79 2.12 -0.53 0.43 118.70 124.31 1ot4 s GLU 22 Ca 0.35 -1.23 -0.11 0.00 0.36 0.00 0.00 54.97 54.34 1ot4 s GLU 22 Cb -0.22 -2.11 0.02 0.00 0.26 0.00 0.00 34.13 32.09 1ot4 s GLU 22 CO 0.24 0.46 0.27 -0.51 -0.54 0.00 0.00 175.26 175.18 1ot4 s LEU 23 N -2.38 1.01 0.07 2.70 1.43 0.32 0.26 118.68 122.08 1ot4 s LEU 23 Ca 0.20 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1ot4 s LEU 23 Cb -0.10 0.99 -0.04 0.00 0.03 0.00 0.00 46.19 47.07 1ot4 s LEU 23 CO 0.12 -0.22 -0.05 -1.00 0.23 0.00 0.00 176.35 175.42 1ot4 s HIS 24 N -0.43 0.67 -0.24 0.29 3.76 0.28 -0.70 115.29 118.91 1ot4 s HIS 24 Ca -0.05 -0.91 -0.06 0.00 -0.15 0.00 0.00 55.06 53.88 1ot4 s HIS 24 Cb -0.04 -0.43 0.12 0.00 1.11 0.00 0.00 32.58 33.35 1ot4 s HIS 24 CO 0.01 -0.24 0.49 -0.06 -0.85 0.00 0.00 174.74 174.10 1ot4 s PHE 25 N -3.37 -1.05 -1.34 1.40 0.40 -1.20 -3.45 117.98 109.38 1ot4 s PHE 25 Ca 0.06 1.64 0.15 0.00 -0.60 0.00 0.00 56.93 58.17 1ot4 s PHE 25 Cb 0.04 0.42 0.71 0.00 0.51 0.00 0.00 43.02 44.70 1ot4 s PHE 25 CO -0.06 -0.62 1.41 0.43 0.70 0.00 0.00 175.22 177.08 1ot4 n SER 26 N 5.41 0.00 -3.25 1.36 7.64 -1.26 -3.55 113.62 119.97 1ot4 n SER 26 Ca -0.08 0.17 -0.25 0.00 1.01 0.00 0.00 58.87 59.72 1ot4 n SER 26 Cb 0.50 -0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 63.29 1ot4 n SER 26 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ot4 n GLU 27 N -1.33 0.55 -3.76 1.43 0.28 -1.26 -5.10 120.64 111.46 1ot4 n GLU 27 Ca 0.06 -3.21 -0.10 0.00 -0.16 0.00 0.00 57.16 53.76 1ot4 n GLU 27 Cb 0.13 -1.35 -0.06 0.00 1.43 0.00 0.00 31.44 31.59 1ot4 n GLU 27 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1ot4 s ASN 28 N -0.82 -0.05 -0.33 -1.84 2.47 -1.23 -5.08 114.94 108.06 1ot4 s ASN 28 Ca 0.34 -0.45 0.04 0.00 0.42 0.00 0.00 52.86 53.21 1ot4 s ASN 28 Cb 0.13 0.39 0.23 0.00 -1.45 0.00 0.00 41.25 40.56 1ot4 s ASN 28 CO -0.14 -0.76 1.26 -0.11 -3.72 0.00 0.00 177.10 173.63 1ot4 n LEU 29 N -0.02 -1.30 0.00 3.21 -0.00 -1.26 -4.53 117.00 113.10 1ot4 n LEU 29 Ca -0.16 -2.04 0.00 0.00 -0.00 0.00 0.00 56.01 53.81 1ot4 n LEU 29 Cb 0.62 0.89 0.00 0.00 -0.00 0.00 0.00 43.42 44.93 1ot4 n LEU 29 CO 0.20 1.48 0.00 0.52 -0.00 0.00 0.00 177.39 179.59 1ot4 n VAL 30 N 0.06 0.00 -0.87 1.96 0.31 -1.24 -4.98 118.33 113.58 1ot4 n VAL 30 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1ot4 n VAL 30 Cb 0.72 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 1ot4 n VAL 30 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1ot4 n THR 31 N -2.34 0.00 -2.45 2.52 5.66 -0.58 -4.84 114.28 112.25 1ot4 n THR 31 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ot4 n THR 31 Cb 0.00 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.54 1ot4 n THR 31 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1ot4 n GLN 32 N -2.87 0.00 -1.34 1.09 -0.06 -1.26 -4.67 117.38 108.27 1ot4 n GLN 32 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 1ot4 n GLN 32 Cb 0.00 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.13 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1ot4 n PHE 33 N 0.00 -0.31 -3.98 3.69 3.72 -1.26 -4.74 117.46 114.58 1ot4 n PHE 33 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1ot4 n PHE 33 Cb 0.00 -2.55 -0.03 0.00 -0.94 0.00 0.00 39.48 35.96 1ot4 n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ot4 s SER 34 N -2.10 0.30 -0.14 4.37 1.04 -1.26 -2.83 113.70 113.08 1ot4 s SER 34 Ca 0.00 -1.17 -0.34 0.00 0.48 0.00 0.00 55.95 54.92 1ot4 s SER 34 Cb 0.00 0.69 0.13 0.00 0.10 0.00 0.00 66.02 66.94 1ot4 s SER 34 CO 0.00 -1.35 1.22 -0.83 0.98 0.00 0.00 173.24 173.26 1ot4 s GLY 35 N -3.11 -0.33 0.45 7.32 0.00 -0.53 -4.96 107.32 106.17 1ot4 s GLY 35 Ca 0.23 1.34 0.03 0.00 0.00 0.00 0.00 44.72 46.33 1ot4 s GLY 35 CO 0.14 0.42 0.02 0.00 0.00 0.00 0.00 173.10 173.68 1ot4 s ALA 36 N -2.45 3.56 -0.22 3.20 0.00 -1.26 -0.84 121.76 123.74 1ot4 s ALA 36 Ca 0.10 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 1ot4 s ALA 36 Cb 0.00 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.40 1ot4 s ALA 36 CO -0.04 -0.11 0.53 0.15 0.00 0.00 0.00 175.76 176.28 1ot4 s LYS 37 N -3.81 0.51 -0.18 0.00 1.02 0.12 -4.94 119.74 112.46 1ot4 s LYS 37 Ca 0.19 1.01 -0.09 0.00 0.02 0.00 0.00 55.97 57.11 1ot4 s LYS 37 Cb 0.05 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.44 1ot4 s LYS 37 CO 0.10 -0.17 0.12 -1.17 -0.92 0.00 0.00 175.35 173.31 1ot4 s LEU 38 N 1.70 4.18 -0.09 3.17 2.96 -1.26 -0.99 118.68 128.35 1ot4 s LEU 38 Ca -0.09 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1ot4 s LEU 38 Cb -0.08 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1ot4 s LEU 38 CO -0.16 0.23 -0.15 0.68 -1.32 0.00 0.00 176.35 175.63 1ot4 s VAL 39 N 0.05 1.47 -0.76 1.68 -7.23 -0.63 -0.65 120.40 114.31 1ot4 s VAL 39 Ca 0.09 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 59.39 1ot4 s VAL 39 Cb -0.11 -1.33 0.08 0.00 0.56 0.00 0.00 36.38 35.58 1ot4 s VAL 39 CO -0.00 0.43 1.08 -0.32 -0.31 0.00 0.00 175.10 175.98 1ot4 s MET 40 N 0.81 3.27 -0.87 4.82 1.75 -0.07 -0.55 119.30 128.46 1ot4 s MET 40 Ca -0.11 -1.01 0.01 0.00 -1.25 0.00 0.00 55.69 53.34 1ot4 s MET 40 Cb -0.16 -4.48 0.33 0.00 2.84 0.00 0.00 34.83 33.36 1ot4 s MET 40 CO 0.01 -1.88 1.53 -2.37 -0.65 0.00 0.00 175.02 171.66 1ot4 n THR 41 N 5.96 5.04 -0.22 10.11 5.66 -1.04 -3.09 114.28 136.70 1ot4 n THR 41 Ca 0.06 -5.83 -0.12 0.00 -3.05 0.00 0.00 64.05 55.12 1ot4 n THR 41 Cb 0.47 -1.49 -0.08 0.00 -1.55 0.00 0.00 70.33 67.68 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 h ALA 42 N 3.77 -0.61 -2.56 1.79 0.00 -1.83 -3.43 119.26 116.39 1ot4 h ALA 42 Ca 0.40 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1ot4 h ALA 42 Cb 0.38 1.14 -0.16 0.00 0.00 0.00 0.00 17.79 19.16 1ot4 h ALA 42 CO 1.06 -0.98 0.01 -1.64 0.00 0.00 0.00 179.25 177.70 1ot4 s MET 43 N -5.66 1.03 -0.23 0.00 -1.94 -1.26 -4.49 119.30 106.74 1ot4 s MET 43 Ca -0.14 -0.33 -0.29 0.00 -1.71 0.00 0.00 55.69 53.22 1ot4 s MET 43 Cb 0.10 0.47 -0.01 0.00 2.01 0.00 0.00 34.83 37.40 1ot4 s MET 43 CO 0.63 -0.38 1.31 -1.25 -0.01 0.00 0.00 175.02 175.32 1ot4 s PRO 44 N -2.68 4.05 -0.20 2.03 0.04 -1.26 -4.76 135.00 132.22 1ot4 s PRO 44 Ca -0.04 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 1ot4 s PRO 44 Cb -0.00 -3.84 -0.08 0.00 0.04 0.00 0.00 34.50 30.62 1ot4 s PRO 44 CO -0.04 -0.94 -0.33 0.41 0.04 0.00 0.00 177.00 176.14 1ot4 n GLY 45 N 4.02 -0.47 2.54 0.56 0.00 -1.26 -4.80 105.19 105.79 1ot4 n GLY 45 Ca 0.15 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1ot4 n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ot4 n MET 46 N -4.30 1.65 -3.04 1.61 2.81 -1.26 -4.85 117.12 109.75 1ot4 n MET 46 Ca -0.29 -4.16 -0.12 0.00 -1.81 0.00 0.00 57.70 51.32 1ot4 n MET 46 Cb 0.64 -2.01 0.07 0.00 -0.71 0.00 0.00 33.22 31.20 1ot4 n MET 46 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1ot4 n GLU 47 N 1.61 -4.63 -2.99 0.03 2.13 -1.26 -4.05 120.64 111.49 1ot4 n GLU 47 Ca 0.25 0.63 -0.14 0.00 0.66 0.00 0.00 57.16 58.56 1ot4 n GLU 47 Cb 0.42 -4.98 0.02 0.00 0.27 0.00 0.00 31.44 27.17 1ot4 n GLU 47 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1ot4 n HIS 48 N -3.28 -3.33 -3.84 4.31 -0.00 -1.26 -4.96 115.22 102.86 1ot4 n HIS 48 Ca -0.20 1.35 -0.28 0.00 -0.00 0.00 0.00 57.72 58.59 1ot4 n HIS 48 Cb 0.62 -3.60 -0.11 0.00 -0.00 0.00 0.00 29.99 26.90 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ot4 n SER 49 N -0.25 3.20 -4.49 0.26 2.88 -1.26 -4.98 113.62 108.98 1ot4 n SER 49 Ca 0.07 -3.23 -0.29 0.00 -1.33 0.00 0.00 58.87 54.09 1ot4 n SER 49 Cb 0.50 -0.77 0.16 0.00 -0.75 0.00 0.00 64.21 63.35 1ot4 n SER 49 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ot4 s PRO 50 N -1.57 0.62 -0.05 -1.46 0.04 -1.26 -4.82 135.00 126.50 1ot4 s PRO 50 Ca 0.26 0.09 0.05 0.00 0.04 0.00 0.00 61.00 61.44 1ot4 s PRO 50 Cb -0.03 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 1ot4 s PRO 50 CO -0.15 -2.51 -0.19 -1.64 0.04 0.00 0.00 177.00 172.54 1ot4 s MET 51 N -5.42 2.09 0.31 4.56 -1.94 -1.18 -4.98 119.30 112.74 1ot4 s MET 51 Ca 0.67 -0.69 -0.28 0.00 -1.71 0.00 0.00 55.69 53.67 1ot4 s MET 51 Cb -0.12 -1.77 -0.09 0.00 2.01 0.00 0.00 34.83 34.86 1ot4 s MET 51 CO 0.54 0.25 1.08 0.00 -0.01 0.00 0.00 175.02 176.88 1ot4 s ALA 52 N 0.07 3.33 0.15 3.03 0.00 -1.26 -0.89 121.76 126.19 1ot4 s ALA 52 Ca -0.06 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1ot4 s ALA 52 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1ot4 s ALA 52 CO 0.03 -0.15 0.04 0.54 0.00 0.00 0.00 175.76 176.22 1ot4 s VAL 53 N -1.28 4.04 -0.43 0.00 0.11 0.17 -4.90 120.40 118.11 1ot4 s VAL 53 Ca 0.47 -1.22 -0.24 0.00 -2.93 0.00 0.00 61.98 58.07 1ot4 s VAL 53 Cb -0.29 -3.02 0.02 0.00 -1.53 0.00 0.00 36.38 31.56 1ot4 s VAL 53 CO 0.38 -0.06 0.81 -1.59 -3.33 0.00 0.00 175.10 171.31 1ot4 s LYS 54 N -2.86 3.52 0.34 1.54 -2.85 -1.26 -4.51 119.74 113.65 1ot4 s LYS 54 Ca 0.28 0.05 0.04 0.00 -1.00 0.00 0.00 55.97 55.34 1ot4 s LYS 54 Cb -0.10 -3.90 -0.04 0.00 -2.06 0.00 0.00 37.83 31.73 1ot4 s LYS 54 CO 0.20 -1.07 0.14 0.00 0.10 0.00 0.00 175.35 174.72 1ot4 s ALA 55 N 3.34 2.30 0.00 0.59 0.00 -1.26 -2.86 121.76 123.87 1ot4 s ALA 55 Ca 0.32 -1.65 0.01 0.00 0.00 0.00 0.00 51.96 50.64 1ot4 s ALA 55 Cb -0.12 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1ot4 s ALA 55 CO 0.22 -0.43 -0.03 0.00 0.00 0.00 0.00 175.76 175.51 1ot4 s ALA 56 N -3.44 0.25 -0.18 0.00 0.00 -0.64 -4.83 121.76 112.91 1ot4 s ALA 56 Ca 0.32 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 1ot4 s ALA 56 Cb 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1ot4 s ALA 56 CO 0.17 0.03 0.03 0.54 0.00 0.00 0.00 175.76 176.53 1ot4 s VAL 57 N -0.32 4.49 -0.06 0.00 0.11 -1.26 -0.20 120.40 123.15 1ot4 s VAL 57 Ca -0.02 -0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 58.86 1ot4 s VAL 57 Cb -0.03 -3.01 0.03 0.00 -1.53 0.00 0.00 36.38 31.84 1ot4 s VAL 57 CO -0.00 0.46 0.15 -0.44 -3.33 0.00 0.00 175.10 171.94 1ot4 s SER 58 N 0.45 -0.13 0.64 3.54 0.01 0.85 -4.98 113.70 114.07 1ot4 s SER 58 Ca 0.01 0.30 -0.13 0.00 1.31 0.00 0.00 55.95 57.44 1ot4 s SER 58 Cb -0.13 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 1ot4 s SER 58 CO 0.01 -0.10 1.06 -0.83 0.41 0.00 0.00 173.24 173.78 1ot4 s GLY 59 N 0.69 1.89 0.00 3.44 0.00 -1.26 0.45 107.32 112.54 1ot4 s GLY 59 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1ot4 s GLY 59 CO -0.03 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.22 1ot4 n GLY 60 N -1.51 0.52 0.43 0.20 0.00 -0.35 -4.74 105.19 99.74 1ot4 n GLY 60 Ca 0.08 -1.77 0.24 0.00 0.00 0.00 0.00 46.02 44.58 1ot4 n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ot4 h GLY 61 N 0.00 0.29 -4.36 -0.02 0.00 -1.98 -3.40 103.07 93.60 1ot4 h GLY 61 Ca 0.00 -0.06 -0.66 0.00 0.00 0.00 0.00 47.33 46.60 1ot4 h GLY 61 CO 0.00 -0.00 -0.73 0.99 0.00 0.00 0.00 176.54 176.80 1ot4 s ASP 62 N -5.72 4.50 0.14 0.19 1.11 -1.26 -5.00 116.67 110.63 1ot4 s ASP 62 Ca -0.06 -0.33 0.24 0.00 0.18 0.00 0.00 52.55 52.57 1ot4 s ASP 62 Cb 0.22 -0.91 0.91 0.00 1.07 0.00 0.00 42.92 44.21 1ot4 s ASP 62 CO 0.77 0.19 1.73 -0.81 1.18 0.00 0.00 175.17 178.23 1ot4 n PRO 63 N 0.79 0.14 0.15 8.23 -0.04 -1.26 -2.24 135.00 140.76 1ot4 n PRO 63 Ca -0.13 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1ot4 n PRO 63 Cb 0.52 -1.71 0.11 0.00 -0.04 0.00 0.00 33.50 32.39 1ot4 n PRO 63 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1ot4 h LYS 64 N 0.00 0.00 -5.46 0.54 2.10 -1.89 -1.54 116.57 110.32 1ot4 h LYS 64 Ca 0.00 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 58.01 1ot4 h LYS 64 Cb 0.48 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.66 1ot4 h LYS 64 CO 0.00 0.00 -0.57 0.99 -2.00 0.00 0.00 179.45 177.87 1ot4 s THR 65 N -3.26 4.72 0.26 0.07 2.01 -0.95 -3.23 115.64 115.26 1ot4 s THR 65 Ca 0.04 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.06 1ot4 s THR 65 Cb 0.08 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1ot4 s THR 65 CO 0.72 0.51 0.08 -0.04 -0.69 0.00 0.00 174.62 175.21 1ot4 s MET 66 N -0.05 2.56 -0.19 4.92 -1.94 0.12 -1.21 119.30 123.51 1ot4 s MET 66 Ca 0.06 -1.27 -0.05 0.00 -1.71 0.00 0.00 55.69 52.72 1ot4 s MET 66 Cb -0.12 -2.33 0.09 0.00 2.01 0.00 0.00 34.83 34.48 1ot4 s MET 66 CO 0.01 0.38 0.34 0.08 -0.01 0.00 0.00 175.02 175.82 1ot4 s VAL 67 N -2.25 -0.54 -0.25 -6.03 1.01 0.17 -0.52 120.40 112.00 1ot4 s VAL 67 Ca 0.32 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1ot4 s VAL 67 Cb -0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1ot4 s VAL 67 CO 0.22 0.01 0.39 -0.63 0.00 0.00 0.00 175.10 175.09 1ot4 s ILE 68 N 2.51 5.17 -0.25 2.22 1.09 0.17 -0.11 121.20 132.01 1ot4 s ILE 68 Ca 0.04 0.64 0.02 0.00 -1.10 0.00 0.00 60.65 60.25 1ot4 s ILE 68 Cb -0.13 -3.72 0.06 0.00 -1.06 0.00 0.00 42.46 37.61 1ot4 s ILE 68 CO -0.12 0.17 -0.08 -0.89 -0.10 0.00 0.00 174.94 173.93 1ot4 s THR 69 N 1.89 1.83 0.18 2.92 2.01 0.72 0.20 115.64 125.39 1ot4 s THR 69 Ca 0.17 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.44 1ot4 s THR 69 Cb -0.15 -2.03 -0.08 0.00 0.01 0.00 0.00 72.50 70.25 1ot4 s THR 69 CO 0.09 -0.08 1.12 -2.16 -0.69 0.00 0.00 174.62 172.90 1ot4 s PRO 70 N 1.26 4.57 0.26 4.92 0.04 -1.26 -1.63 135.00 143.16 1ot4 s PRO 70 Ca -0.07 1.75 0.11 0.00 0.04 0.00 0.00 61.00 62.83 1ot4 s PRO 70 Cb -0.19 -3.27 0.27 0.00 0.04 0.00 0.00 34.50 31.35 1ot4 s PRO 70 CO -0.06 0.04 1.55 0.00 0.04 0.00 0.00 177.00 178.58 1ot4 h ALA 71 N 5.12 0.84 -2.67 8.56 0.00 -1.85 -3.44 119.26 125.82 1ot4 h ALA 71 Ca -0.44 -0.60 -0.57 0.00 0.00 0.00 0.00 54.91 53.30 1ot4 h ALA 71 Cb 1.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1ot4 h ALA 71 CO 0.73 0.83 -0.26 0.45 0.00 0.00 0.00 179.25 180.99 1ot4 s SER 72 N -6.75 6.53 0.15 0.00 0.15 -1.23 -5.06 113.70 107.48 1ot4 s SER 72 Ca -0.00 0.68 -0.30 0.00 0.70 0.00 0.00 55.95 57.02 1ot4 s SER 72 Cb 0.12 -2.13 -0.07 0.00 -1.71 0.00 0.00 66.02 62.23 1ot4 s SER 72 CO 0.76 0.02 1.13 -2.16 1.20 0.00 0.00 173.24 174.19 1ot4 s PRO 73 N -2.69 4.55 -0.30 5.44 0.04 -1.26 -4.99 135.00 135.78 1ot4 s PRO 73 Ca 0.43 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.95 1ot4 s PRO 73 Cb -0.12 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1ot4 s PRO 73 CO 0.24 -0.02 0.89 -0.51 0.04 0.00 0.00 177.00 177.64 1ot4 s LEU 74 N -0.03 4.04 0.57 -3.56 1.43 -1.26 -5.03 118.68 114.84 1ot4 s LEU 74 Ca 0.52 0.85 0.06 0.00 -1.03 0.00 0.00 54.13 54.52 1ot4 s LEU 74 Cb -0.30 -3.25 0.07 0.00 0.03 0.00 0.00 46.19 42.74 1ot4 s LEU 74 CO 0.34 -0.69 0.79 0.42 0.23 0.00 0.00 176.35 177.44 1ot4 s THR 75 N 3.17 2.40 1.17 5.49 -4.23 -1.26 -4.73 115.64 117.65 1ot4 s THR 75 Ca 0.37 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.85 1ot4 s THR 75 Cb -0.14 -2.53 0.20 0.00 1.34 0.00 0.00 72.50 71.37 1ot4 s THR 75 CO 0.13 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.61 1ot4 n ALA 76 N -2.31 -3.62 0.00 3.99 0.00 -1.26 -4.68 120.51 112.63 1ot4 n ALA 76 Ca 0.13 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1ot4 n ALA 76 Cb 0.61 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1ot4 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ot4 n GLY 77 N 1.80 -0.54 3.41 0.00 0.00 0.24 -4.82 105.19 105.28 1ot4 n GLY 77 Ca 0.03 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 1ot4 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ot4 s THR 78 N 0.00 2.48 0.06 2.61 2.01 -1.26 0.18 115.64 121.73 1ot4 s THR 78 Ca 0.00 -1.42 -0.08 0.00 0.31 0.00 0.00 61.69 60.50 1ot4 s THR 78 Cb 0.00 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1ot4 s THR 78 CO 0.00 0.26 0.16 -0.31 -0.69 0.00 0.00 174.62 174.04 1ot4 s TYR 79 N -0.95 0.15 -0.17 4.92 1.51 -0.39 -2.43 117.35 120.00 1ot4 s TYR 79 Ca 0.14 -0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1ot4 s TYR 79 Cb -0.10 -0.08 0.05 0.00 -0.11 0.00 0.00 41.96 41.72 1ot4 s TYR 79 CO 0.05 -0.46 0.01 0.15 -1.11 0.00 0.00 175.55 174.19 1ot4 s LYS 80 N -3.18 0.85 -0.44 -0.62 1.02 0.28 -1.38 119.74 116.28 1ot4 s LYS 80 Ca -0.00 -0.36 -0.21 0.00 0.02 0.00 0.00 55.97 55.42 1ot4 s LYS 80 Cb 0.02 -1.88 0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1ot4 s LYS 80 CO -0.07 -0.53 0.63 0.08 -0.92 0.00 0.00 175.35 174.55 1ot4 s VAL 81 N 1.81 4.84 -0.28 3.17 1.01 -0.05 -1.61 120.40 129.29 1ot4 s VAL 81 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 1ot4 s VAL 81 Cb -0.16 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1ot4 s VAL 81 CO -0.07 -0.60 0.11 -1.81 0.00 0.00 0.00 175.10 172.72 1ot4 s ASP 82 N 2.03 5.33 0.09 3.32 1.11 -0.16 0.37 116.67 128.75 1ot4 s ASP 82 Ca 0.22 -0.42 0.03 0.00 0.18 0.00 0.00 52.55 52.56 1ot4 s ASP 82 Cb -0.14 -1.95 -0.04 0.00 1.07 0.00 0.00 42.92 41.85 1ot4 s ASP 82 CO 0.18 -0.13 0.11 -1.66 1.18 0.00 0.00 175.17 174.86 1ot4 s TRP 83 N 1.60 3.24 -0.03 4.23 1.48 0.02 0.12 118.94 129.60 1ot4 s TRP 83 Ca 0.05 0.10 0.00 0.00 -1.06 0.00 0.00 56.10 55.19 1ot4 s TRP 83 Cb -0.16 -1.63 0.03 0.00 -1.16 0.00 0.00 33.47 30.54 1ot4 s TRP 83 CO 0.05 0.53 -0.00 1.03 -4.06 0.00 0.00 176.95 174.50 1ot4 s ARG 84 N -2.50 0.31 -0.37 3.25 3.00 -0.02 -1.19 118.95 121.44 1ot4 s ARG 84 Ca 0.30 0.07 -0.04 0.00 0.00 0.00 0.00 55.73 56.07 1ot4 s ARG 84 Cb -0.12 -0.49 0.08 0.00 0.00 0.00 0.00 34.95 34.42 1ot4 s ARG 84 CO 0.23 -0.14 0.14 0.00 0.00 0.00 0.00 175.30 175.54 1ot4 s ALA 85 N 1.03 3.07 -0.72 2.13 0.00 -0.29 -1.46 121.76 125.52 1ot4 s ALA 85 Ca -0.10 -2.17 0.03 0.00 0.00 0.00 0.00 51.96 49.72 1ot4 s ALA 85 Cb -0.14 -2.30 0.32 0.00 0.00 0.00 0.00 23.12 21.00 1ot4 s ALA 85 CO -0.02 -1.58 1.16 0.28 0.00 0.00 0.00 175.76 175.61 1ot4 n VAL 86 N 4.68 3.85 -3.81 0.00 0.31 -1.13 -1.29 118.33 120.94 1ot4 n VAL 86 Ca -0.08 -5.66 -0.24 0.00 -0.01 0.00 0.00 64.34 58.35 1ot4 n VAL 86 Cb 0.42 -1.57 -0.02 0.00 -0.91 0.00 0.00 33.84 31.77 1ot4 n VAL 86 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ot4 s SER 87 N -2.75 4.73 0.66 4.52 0.15 -1.19 -4.46 113.70 115.36 1ot4 s SER 87 Ca 0.44 -1.08 -0.11 0.00 0.70 0.00 0.00 55.95 55.90 1ot4 s SER 87 Cb 0.23 0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1ot4 s SER 87 CO -0.11 -0.91 1.06 -0.44 1.20 0.00 0.00 173.24 174.04 1ot4 s SER 88 N -4.20 5.82 -1.24 5.45 0.01 -1.26 -3.17 113.70 115.11 1ot4 s SER 88 Ca 0.40 1.34 -0.23 0.00 1.31 0.00 0.00 55.95 58.77 1ot4 s SER 88 Cb -0.02 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.95 1ot4 s SER 88 CO 0.24 -1.13 0.64 0.47 0.41 0.00 0.00 173.24 173.87 1ot4 n ASP 89 N -2.90 -3.73 0.00 2.44 9.92 -1.26 -4.59 116.55 116.43 1ot4 n ASP 89 Ca 0.06 -1.16 0.00 0.00 -0.53 0.00 0.00 54.79 53.17 1ot4 n ASP 89 Cb 0.55 -2.48 0.00 0.00 -0.64 0.00 0.00 41.12 38.55 1ot4 n ASP 89 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1ot4 n THR 90 N -4.61 0.00 -0.09 -3.53 5.66 -1.26 -5.13 114.28 105.31 1ot4 n THR 90 Ca -0.14 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.87 1ot4 n THR 90 Cb 0.60 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1ot4 n THR 90 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1ot4 n HIS 91 N -0.52 -0.24 -2.34 1.09 -0.00 -1.19 -4.63 115.22 107.39 1ot4 n HIS 91 Ca 0.00 0.13 -0.42 0.00 0.46 0.00 0.00 57.72 57.88 1ot4 n HIS 91 Cb 0.00 -0.22 -0.02 0.00 -0.12 0.00 0.00 29.99 29.62 1ot4 n HIS 91 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1ot4 s PRO 92 N -1.83 3.41 -0.09 1.57 0.04 -1.26 -4.32 135.00 132.52 1ot4 s PRO 92 Ca 0.00 0.74 -0.02 0.00 0.04 0.00 0.00 61.00 61.77 1ot4 s PRO 92 Cb 0.00 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 1ot4 s PRO 92 CO 0.00 -1.79 -0.02 0.42 0.04 0.00 0.00 177.00 175.65 1ot4 s ILE 93 N 5.92 4.12 0.10 0.56 -1.09 -0.41 -4.95 121.20 125.46 1ot4 s ILE 93 Ca 0.59 -0.31 0.07 0.00 -2.23 0.00 0.00 60.65 58.77 1ot4 s ILE 93 Cb -0.13 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1ot4 s ILE 93 CO 0.29 0.59 -0.12 0.42 -1.23 0.00 0.00 174.94 174.89 1ot4 s THR 94 N -0.67 3.24 0.02 2.92 -4.23 -1.26 -1.13 115.64 114.53 1ot4 s THR 94 Ca 0.10 -1.31 -0.20 0.00 -1.18 0.00 0.00 61.69 59.10 1ot4 s THR 94 Cb -0.12 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.26 1ot4 s THR 94 CO 0.02 0.12 0.45 -0.83 -0.54 0.00 0.00 174.62 173.84 1ot4 s GLY 95 N -2.16 -0.32 -0.04 3.99 0.00 -0.33 -4.86 107.32 103.59 1ot4 s GLY 95 Ca 0.20 0.50 -0.05 0.00 0.00 0.00 0.00 44.72 45.37 1ot4 s GLY 95 CO 0.13 0.23 0.14 -0.56 0.00 0.00 0.00 173.10 173.04 1ot4 s SER 96 N -1.76 -0.11 -0.24 1.64 0.01 -1.26 -0.80 113.70 111.19 1ot4 s SER 96 Ca -0.08 0.17 -0.03 0.00 1.31 0.00 0.00 55.95 57.32 1ot4 s SER 96 Cb -0.02 0.28 0.08 0.00 0.21 0.00 0.00 66.02 66.57 1ot4 s SER 96 CO 0.01 -0.13 0.09 -0.69 0.41 0.00 0.00 173.24 172.93 1ot4 s VAL 97 N -0.27 0.25 0.24 3.43 1.01 0.16 -4.96 120.40 120.25 1ot4 s VAL 97 Ca -0.04 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 1ot4 s VAL 97 Cb -0.03 -1.01 -0.08 0.00 0.00 0.00 0.00 36.38 35.26 1ot4 s VAL 97 CO 0.00 -0.46 0.76 0.28 0.00 0.00 0.00 175.10 175.68 1ot4 s THR 98 N 1.96 4.50 -0.05 3.92 -1.32 -1.26 -0.87 115.64 122.51 1ot4 s THR 98 Ca 0.05 1.40 -0.31 0.00 -1.21 0.00 0.00 61.69 61.62 1ot4 s THR 98 Cb -0.17 -3.90 0.07 0.00 -1.51 0.00 0.00 72.50 67.00 1ot4 s THR 98 CO -0.20 0.21 0.67 0.72 -2.21 0.00 0.00 174.62 173.82 1ot4 s PHE 99 N -1.52 -0.65 0.38 9.09 -0.71 -0.48 0.43 117.98 124.52 1ot4 s PHE 99 Ca 0.44 1.13 0.07 0.00 -1.04 0.00 0.00 56.93 57.53 1ot4 s PHE 99 Cb -0.17 0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 1ot4 s PHE 99 CO 0.22 -0.60 0.44 0.15 -1.34 0.00 0.00 175.22 174.09 1ot4 s LYS 100 N -1.17 2.83 -0.04 1.99 1.02 0.14 -1.26 119.74 123.26 1ot4 s LYS 100 Ca -0.11 -1.24 -0.01 0.00 0.02 0.00 0.00 55.97 54.63 1ot4 s LYS 100 Cb -0.00 -2.64 0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1ot4 s LYS 100 CO 0.10 -0.08 0.04 0.08 -0.92 0.00 0.00 175.35 174.57 1ot4 s VAL 101 N -2.31 -0.01 0.00 3.17 1.01 0.13 -3.59 120.40 118.80 1ot4 s VAL 101 Ca 0.48 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1ot4 s VAL 101 Cb -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1ot4 s VAL 101 CO 0.30 0.17 0.31 0.29 0.00 0.00 0.00 175.10 176.17