#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot4 s PRO 2 N 0.00 3.17 0.18 -0.41 0.04 -1.26 -4.87 135.00 131.85 1ot4 s PRO 2 Ca 0.00 -1.17 -0.12 0.00 0.04 0.00 0.00 61.00 59.75 1ot4 s PRO 2 Cb 0.00 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.24 1ot4 s PRO 2 CO 0.00 -2.96 0.38 -1.59 0.04 0.00 0.00 177.00 172.87 1ot4 s LYS 3 N 5.64 1.25 -0.25 4.56 -2.85 -1.26 -4.91 119.74 121.92 1ot4 s LYS 3 Ca 0.60 -1.07 -0.33 0.00 -1.00 0.00 0.00 55.97 54.16 1ot4 s LYS 3 Cb -0.01 0.43 -0.10 0.00 -2.06 0.00 0.00 37.83 36.10 1ot4 s LYS 3 CO 0.03 -0.49 2.12 -0.11 0.10 0.00 0.00 175.35 177.00 1ot4 n LEU 4 N -0.26 2.78 0.00 2.77 -0.00 -1.26 -4.87 117.00 116.15 1ot4 n LEU 4 Ca -0.08 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1ot4 n LEU 4 Cb 0.63 -1.37 0.00 0.00 -0.00 0.00 0.00 43.42 42.68 1ot4 n LEU 4 CO 0.22 -0.55 0.35 0.52 -0.00 0.00 0.00 177.39 177.93 1ot4 n VAL 5 N 6.81 0.00 -3.81 1.96 0.31 -1.24 -4.85 118.33 117.51 1ot4 n VAL 5 Ca 0.33 1.20 -0.12 0.00 -0.01 0.00 0.00 64.34 65.74 1ot4 n VAL 5 Cb 0.31 -1.96 -0.10 0.00 -0.91 0.00 0.00 33.84 31.18 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 -2.49 -0.11 0.22 4.52 0.01 -1.11 -5.07 113.70 109.67 1ot4 s SER 6 Ca 0.00 0.04 -0.18 0.00 1.31 0.00 0.00 55.95 57.12 1ot4 s SER 6 Cb 0.00 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.56 1ot4 s SER 6 CO 0.00 -0.34 0.56 -0.94 0.41 0.00 0.00 173.24 172.93 1ot4 s SER 7 N -1.06 -0.26 -0.39 2.44 1.04 -1.26 0.46 113.70 114.67 1ot4 s SER 7 Ca -0.11 -0.52 0.12 0.00 0.48 0.00 0.00 55.95 55.92 1ot4 s SER 7 Cb -0.06 0.61 0.37 0.00 0.10 0.00 0.00 66.02 67.05 1ot4 s SER 7 CO 0.02 -1.12 0.81 0.41 0.98 0.00 0.00 173.24 174.35 1ot4 n THR 8 N -0.37 0.52 0.07 2.02 -1.04 0.19 -4.92 114.28 110.75 1ot4 n THR 8 Ca -0.08 -4.39 -0.04 0.00 -2.04 0.00 0.00 64.05 57.50 1ot4 n THR 8 Cb 0.62 -0.23 -0.02 0.00 -1.82 0.00 0.00 70.33 68.88 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 2.98 -0.23 0.00 -2.82 0.13 -1.86 -1.98 132.00 128.22 1ot4 h PRO 9 Ca 0.07 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ot4 h PRO 9 Cb 0.96 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1ot4 h PRO 9 CO 0.55 -0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.17 1ot4 n ALA 10 N -2.52 0.00 -1.37 -0.56 0.00 -1.26 -4.68 120.51 110.11 1ot4 n ALA 10 Ca -0.03 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.88 1ot4 n ALA 10 Cb 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 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 0.61 -3.70 0.00 1.02 -1.26 -2.00 120.64 115.31 1ot4 n GLU 11 Ca 0.00 0.16 -0.26 0.00 -0.02 0.00 0.00 57.16 57.04 1ot4 n GLU 11 Cb 0.00 -2.06 0.01 0.00 -0.02 0.00 0.00 31.44 29.36 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 6.91 -0.77 2.95 0.62 0.00 0.17 -4.93 105.19 110.15 1ot4 n GLY 12 Ca 0.48 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.63 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 -3.31 1.14 -0.09 1.61 0.01 -0.85 -4.99 113.70 107.22 1ot4 s SER 13 Ca 0.17 -0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.19 1ot4 s SER 13 Cb -0.10 -0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1ot4 s SER 13 CO 0.66 0.01 0.17 -1.61 0.41 0.00 0.00 173.24 172.88 1ot4 s GLU 14 N 0.57 3.48 0.00 12.44 2.02 -1.26 -1.35 118.70 134.60 1ot4 s GLU 14 Ca -0.09 -0.11 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1ot4 s GLU 14 Cb -0.12 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1ot4 s GLU 14 CO 0.01 0.76 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1ot4 n GLY 15 N 1.82 3.14 0.00 -1.39 0.00 -1.15 -4.95 105.19 102.66 1ot4 n GLY 15 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ot4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 n ALA 16 N -3.00 0.00 -2.66 4.61 0.00 -1.26 0.31 120.51 118.51 1ot4 n ALA 16 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ot4 n ALA 16 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ot4 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ot4 n ALA 17 N 0.00 -3.16 -1.15 0.00 0.00 -1.26 -4.81 120.51 110.13 1ot4 n ALA 17 Ca 0.00 0.85 -0.06 0.00 0.00 0.00 0.00 53.44 54.23 1ot4 n ALA 17 Cb 0.00 -2.54 0.07 0.00 0.00 0.00 0.00 19.45 16.98 1ot4 n ALA 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ot4 n PRO 18 N 0.00 -1.02 0.00 0.00 -0.04 -1.26 -5.01 135.00 127.67 1ot4 n PRO 18 Ca 0.07 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1ot4 n PRO 18 Cb 0.27 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 1ot4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ot4 n ALA 19 N -3.41 0.00 -3.43 0.55 0.00 -1.26 -4.89 120.51 108.06 1ot4 n ALA 19 Ca -0.06 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 1ot4 n ALA 19 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 1ot4 n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ot4 s LYS 20 N -0.99 1.65 -0.05 0.00 0.00 -1.26 -4.77 119.74 114.32 1ot4 s LYS 20 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 55.97 54.78 1ot4 s LYS 20 Cb 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 37.83 38.32 1ot4 s LYS 20 CO 0.00 -0.72 0.09 0.42 0.00 0.00 0.00 175.35 175.15 1ot4 s ILE 21 N -3.95 4.93 0.02 3.79 1.09 0.68 -4.92 121.20 122.84 1ot4 s ILE 21 Ca 0.18 -0.19 0.02 0.00 -1.10 0.00 0.00 60.65 59.57 1ot4 s ILE 21 Cb -0.03 -3.19 -0.04 0.00 -1.06 0.00 0.00 42.46 38.14 1ot4 s ILE 21 CO 0.08 0.47 -0.00 -0.70 -0.10 0.00 0.00 174.94 174.69 1ot4 s GLU 22 N -1.40 2.74 -0.06 2.79 2.12 -0.75 0.19 118.70 124.33 1ot4 s GLU 22 Ca 0.19 -0.66 -0.11 0.00 0.36 0.00 0.00 54.97 54.75 1ot4 s GLU 22 Cb -0.12 -2.64 0.02 0.00 0.26 0.00 0.00 34.13 31.65 1ot4 s GLU 22 CO 0.09 0.61 0.27 -0.51 -0.54 0.00 0.00 175.26 175.19 1ot4 s LEU 23 N -1.70 0.98 -0.03 2.70 1.43 0.49 0.57 118.68 123.11 1ot4 s LEU 23 Ca 0.21 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1ot4 s LEU 23 Cb -0.12 1.04 0.02 0.00 0.03 0.00 0.00 46.19 47.16 1ot4 s LEU 23 CO 0.12 -0.26 0.07 -1.00 0.23 0.00 0.00 176.35 175.52 1ot4 s HIS 24 N -0.56 -0.07 -0.42 0.29 3.76 0.17 -0.90 115.29 117.56 1ot4 s HIS 24 Ca -0.07 0.22 0.05 0.00 -0.15 0.00 0.00 55.06 55.12 1ot4 s HIS 24 Cb -0.04 -0.04 0.19 0.00 1.11 0.00 0.00 32.58 33.80 1ot4 s HIS 24 CO 0.02 -0.07 0.44 1.19 -0.85 0.00 0.00 174.74 175.47 1ot4 n PHE 25 N 3.46 -1.26 1.89 1.40 3.72 0.83 -2.75 117.46 124.75 1ot4 n PHE 25 Ca -0.18 -3.07 0.07 0.00 -0.05 0.00 0.00 57.45 54.23 1ot4 n PHE 25 Cb 0.56 0.33 0.39 0.00 -0.94 0.00 0.00 39.48 39.82 1ot4 n PHE 25 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ot4 n SER 26 N 2.51 0.22 -0.07 4.37 7.64 -1.26 -1.16 113.62 125.87 1ot4 n SER 26 Ca 0.26 -1.61 -0.06 0.00 1.01 0.00 0.00 58.87 58.47 1ot4 n SER 26 Cb 0.51 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 1ot4 n SER 26 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ot4 h GLU 27 N 0.28 0.00 0.08 1.43 4.57 -1.93 -3.42 114.58 115.59 1ot4 h GLU 27 Ca 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 1ot4 h GLU 27 Cb 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1ot4 h GLU 27 CO 0.00 0.20 -1.91 0.27 -1.18 0.00 0.00 179.01 176.39 1ot4 n ASN 28 N -4.63 2.06 -3.12 1.04 6.94 -1.24 -5.02 115.26 111.28 1ot4 n ASN 28 Ca -0.09 0.23 -0.33 0.00 -0.02 0.00 0.00 54.58 54.36 1ot4 n ASN 28 Cb 0.27 -0.85 0.03 0.00 -2.36 0.00 0.00 39.78 36.88 1ot4 n ASN 28 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ot4 n LEU 29 N -3.68 -2.06 0.00 -4.53 -0.00 -0.31 -4.82 117.00 101.60 1ot4 n LEU 29 Ca -0.34 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.52 1ot4 n LEU 29 Cb 0.96 -1.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 1ot4 n LEU 29 CO 0.35 0.01 0.00 0.52 -0.00 0.00 0.00 177.39 178.27 1ot4 n VAL 30 N -0.18 0.00 -3.91 1.47 0.31 -1.14 -4.78 118.33 110.10 1ot4 n VAL 30 Ca -0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.99 1ot4 n VAL 30 Cb 0.58 -0.01 -0.01 0.00 -0.91 0.00 0.00 33.84 33.49 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 -1.72 -3.49 -0.03 2.52 5.66 -1.25 -4.86 114.28 111.12 1ot4 n THR 31 Ca 0.00 -0.57 -0.01 0.00 -3.05 0.00 0.00 64.05 60.42 1ot4 n THR 31 Cb 0.00 -2.91 -0.00 0.00 -1.55 0.00 0.00 70.33 65.87 1ot4 n THR 31 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1ot4 h GLN 32 N -1.87 0.00 -0.16 1.09 1.08 -1.95 -3.40 115.11 109.90 1ot4 h GLN 32 Ca -0.64 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.56 1ot4 h GLN 32 Cb 1.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 1ot4 h GLN 32 CO 0.60 0.00 0.00 1.19 -0.95 0.00 0.00 178.83 179.67 1ot4 n PHE 33 N -3.72 0.57 -2.17 2.96 3.72 -1.26 -5.02 117.46 112.54 1ot4 n PHE 33 Ca -0.01 -0.91 -0.26 0.00 -0.05 0.00 0.00 57.45 56.22 1ot4 n PHE 33 Cb 0.04 -0.24 0.09 0.00 -0.94 0.00 0.00 39.48 38.42 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 -2.25 4.56 0.00 4.37 1.04 -1.26 -4.78 113.70 115.37 1ot4 s SER 34 Ca 0.38 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1ot4 s SER 34 Cb 0.31 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1ot4 s SER 34 CO 0.07 -1.77 0.00 0.61 0.98 0.00 0.00 173.24 173.12 1ot4 n GLY 35 N -3.05 -1.08 3.54 7.32 0.00 -0.57 -4.99 105.19 106.35 1ot4 n GLY 35 Ca 0.09 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1ot4 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 s ALA 36 N -1.00 -0.85 -0.21 4.61 0.00 -1.26 0.53 121.76 123.58 1ot4 s ALA 36 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 1ot4 s ALA 36 Cb 0.00 0.87 0.10 0.00 0.00 0.00 0.00 23.12 24.10 1ot4 s ALA 36 CO 0.00 -0.82 0.40 0.15 0.00 0.00 0.00 175.76 175.49 1ot4 s LYS 37 N -3.89 0.32 0.03 0.00 1.02 0.14 -4.84 119.74 112.53 1ot4 s LYS 37 Ca 0.11 0.87 -0.22 0.00 0.02 0.00 0.00 55.97 56.74 1ot4 s LYS 37 Cb -0.01 0.07 -0.06 0.00 -0.52 0.00 0.00 37.83 37.31 1ot4 s LYS 37 CO -0.01 -0.38 0.67 -1.17 -0.92 0.00 0.00 175.35 173.54 1ot4 s LEU 38 N 2.59 4.45 -0.03 3.17 2.96 -1.26 -1.21 118.68 129.34 1ot4 s LEU 38 Ca 0.03 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 1ot4 s LEU 38 Cb -0.13 -3.07 0.01 0.00 0.50 0.00 0.00 46.19 43.50 1ot4 s LEU 38 CO -0.14 0.09 -0.08 0.68 -1.32 0.00 0.00 176.35 175.59 1ot4 s VAL 39 N -0.27 0.69 -0.74 1.68 -7.23 -0.30 -0.10 120.40 114.13 1ot4 s VAL 39 Ca 0.34 -0.30 -0.21 0.00 -1.81 0.00 0.00 61.98 60.00 1ot4 s VAL 39 Cb -0.20 -0.63 0.09 0.00 0.56 0.00 0.00 36.38 36.20 1ot4 s VAL 39 CO 0.20 0.23 1.00 -0.32 -0.31 0.00 0.00 175.10 175.90 1ot4 s MET 40 N 0.32 3.25 -0.76 4.82 1.75 -0.71 -0.17 119.30 127.80 1ot4 s MET 40 Ca -0.05 -1.14 0.03 0.00 -1.25 0.00 0.00 55.69 53.28 1ot4 s MET 40 Cb -0.09 -4.45 0.33 0.00 2.84 0.00 0.00 34.83 33.47 1ot4 s MET 40 CO 0.00 -1.79 1.32 -2.37 -0.65 0.00 0.00 175.02 171.53 1ot4 n THR 41 N 5.79 4.26 0.00 10.11 5.66 -1.02 -2.92 114.28 136.16 1ot4 n THR 41 Ca 0.04 -5.70 0.00 0.00 -3.05 0.00 0.00 64.05 55.34 1ot4 n THR 41 Cb 0.46 -1.45 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 n ALA 42 N -0.19 -0.41 -3.54 1.79 0.00 -0.77 -4.60 120.51 112.79 1ot4 n ALA 42 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 1ot4 n ALA 42 Cb 0.34 0.02 -0.17 0.00 0.00 0.00 0.00 19.45 19.65 1ot4 n ALA 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ot4 s MET 43 N -2.72 2.86 -0.82 0.00 1.75 -1.26 -4.68 119.30 114.41 1ot4 s MET 43 Ca 0.00 -0.80 -0.25 0.00 -1.25 0.00 0.00 55.69 53.39 1ot4 s MET 43 Cb 0.00 -2.28 0.00 0.00 2.84 0.00 0.00 34.83 35.39 1ot4 s MET 43 CO 0.00 0.03 1.63 -1.25 -0.65 0.00 0.00 175.02 174.78 1ot4 s PRO 44 N 0.72 3.00 -0.13 4.11 0.04 -1.26 -4.80 135.00 136.67 1ot4 s PRO 44 Ca -0.10 -0.28 -0.07 0.00 0.04 0.00 0.00 61.00 60.59 1ot4 s PRO 44 Cb -0.16 -4.77 -0.04 0.00 0.04 0.00 0.00 34.50 29.58 1ot4 s PRO 44 CO 0.01 -2.62 -0.04 0.78 0.04 0.00 0.00 177.00 175.17 1ot4 h GLY 45 N 15.03 0.00 -7.55 0.56 0.00 -1.95 -3.42 103.07 105.73 1ot4 h GLY 45 Ca -0.05 0.00 -0.78 0.00 0.00 0.00 0.00 47.33 46.50 1ot4 h GLY 45 CO 1.29 0.00 0.26 1.06 0.00 0.00 0.00 176.54 179.15 1ot4 s MET 46 N -1.94 3.87 -0.71 4.80 -1.94 -1.26 -4.78 119.30 117.34 1ot4 s MET 46 Ca -0.09 -3.10 -0.11 0.00 -1.71 0.00 0.00 55.69 50.67 1ot4 s MET 46 Cb 0.01 -4.39 0.02 0.00 2.01 0.00 0.00 34.83 32.48 1ot4 s MET 46 CO 0.16 -1.25 0.62 -1.91 -0.01 0.00 0.00 175.02 172.63 1ot4 n GLU 47 N 2.83 -1.66 -3.16 2.03 2.13 -1.26 -3.42 120.64 118.13 1ot4 n GLU 47 Ca 0.21 1.00 -0.00 0.00 0.66 0.00 0.00 57.16 59.04 1ot4 n GLU 47 Cb 0.40 -2.47 -0.00 0.00 0.27 0.00 0.00 31.44 29.64 1ot4 n GLU 47 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1ot4 n HIS 48 N -1.88 -0.26 -3.87 4.31 1.44 -1.26 -4.92 115.22 108.78 1ot4 n HIS 48 Ca -0.23 0.12 -0.33 0.00 -2.01 0.00 0.00 57.72 55.27 1ot4 n HIS 48 Cb 0.68 -1.20 -0.12 0.00 0.12 0.00 0.00 29.99 29.46 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1ot4 s SER 49 N -1.04 4.72 -0.06 4.39 0.15 -1.22 -5.02 113.70 115.62 1ot4 s SER 49 Ca -0.00 -2.83 -0.30 0.00 0.70 0.00 0.00 55.95 53.52 1ot4 s SER 49 Cb 0.00 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.56 1ot4 s SER 49 CO 0.05 -0.31 1.22 -2.16 1.20 0.00 0.00 173.24 173.25 1ot4 s PRO 50 N -0.04 4.34 -0.69 5.44 0.04 -1.26 -4.83 135.00 138.00 1ot4 s PRO 50 Ca 0.16 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 1ot4 s PRO 50 Cb -0.23 -3.57 0.13 0.00 0.04 0.00 0.00 34.50 30.87 1ot4 s PRO 50 CO -0.02 -0.47 0.76 -1.64 0.04 0.00 0.00 177.00 175.67 1ot4 s MET 51 N 2.30 3.24 0.44 4.56 -1.94 -1.15 -4.84 119.30 121.91 1ot4 s MET 51 Ca 0.56 -1.65 -0.21 0.00 -1.71 0.00 0.00 55.69 52.68 1ot4 s MET 51 Cb -0.25 -4.40 -0.13 0.00 2.01 0.00 0.00 34.83 32.05 1ot4 s MET 51 CO 0.22 -1.51 0.31 0.00 -0.01 0.00 0.00 175.02 174.03 1ot4 n ALA 52 N 5.80 -2.16 -2.60 3.03 0.00 -1.26 -1.74 120.51 121.58 1ot4 n ALA 52 Ca -0.00 0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.29 1ot4 n ALA 52 Cb 0.44 -1.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 1ot4 n ALA 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ot4 s VAL 53 N -1.63 3.33 -1.50 0.00 0.11 0.86 -4.78 120.40 116.79 1ot4 s VAL 53 Ca 0.62 -1.74 -0.10 0.00 -2.93 0.00 0.00 61.98 57.83 1ot4 s VAL 53 Cb -0.58 -2.70 -0.07 0.00 -1.53 0.00 0.00 36.38 31.49 1ot4 s VAL 53 CO 0.60 -0.21 2.76 2.29 -3.33 0.00 0.00 175.10 177.21 1ot4 n LYS 54 N -0.32 3.36 -2.49 1.54 2.85 -1.26 -4.66 118.16 117.17 1ot4 n LYS 54 Ca -0.09 -2.12 -0.24 0.00 -1.05 0.00 0.00 58.31 54.82 1ot4 n LYS 54 Cb 0.57 -2.79 0.09 0.00 -0.65 0.00 0.00 35.03 32.24 1ot4 n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ot4 s ALA 55 N 2.48 3.57 -0.04 0.58 0.00 -1.26 -3.22 121.76 123.88 1ot4 s ALA 55 Ca 0.63 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1ot4 s ALA 55 Cb 0.16 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1ot4 s ALA 55 CO -0.06 -1.30 0.13 0.00 0.00 0.00 0.00 175.76 174.53 1ot4 s ALA 56 N -3.10 -0.31 -0.23 0.00 0.00 -1.13 -4.84 121.76 112.14 1ot4 s ALA 56 Ca 0.63 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 1ot4 s ALA 56 Cb -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1ot4 s ALA 56 CO 0.43 -0.10 0.02 0.08 0.00 0.00 0.00 175.76 176.19 1ot4 s VAL 57 N -0.33 3.96 0.47 0.00 1.01 -1.26 -1.16 120.40 123.09 1ot4 s VAL 57 Ca -0.04 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1ot4 s VAL 57 Cb -0.03 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1ot4 s VAL 57 CO 0.00 0.39 0.20 -0.44 0.00 0.00 0.00 175.10 175.25 1ot4 s SER 58 N 1.40 4.40 0.03 3.32 0.01 0.89 -4.97 113.70 118.76 1ot4 s SER 58 Ca 0.05 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.05 1ot4 s SER 58 Cb -0.15 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 1ot4 s SER 58 CO 0.01 -0.77 -0.04 -0.83 0.41 0.00 0.00 173.24 172.02 1ot4 s GLY 59 N -4.00 0.31 0.00 3.44 0.00 -1.26 -0.21 107.32 105.61 1ot4 s GLY 59 Ca 0.31 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1ot4 s GLY 59 CO 0.18 -0.69 0.00 0.61 0.00 0.00 0.00 173.10 173.20 1ot4 n GLY 60 N 1.60 -0.12 2.13 0.20 0.00 -0.70 -4.87 105.19 103.43 1ot4 n GLY 60 Ca -0.23 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 1ot4 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ot4 n GLY 61 N 3.89 4.46 3.54 -0.02 0.00 -1.26 -4.90 105.19 110.90 1ot4 n GLY 61 Ca 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1ot4 n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ot4 s ASP 62 N -1.13 -0.50 0.00 1.61 1.11 -1.26 -5.01 116.67 111.49 1ot4 s ASP 62 Ca 0.52 0.46 0.24 0.00 0.18 0.00 0.00 52.55 53.95 1ot4 s ASP 62 Cb 0.44 0.42 1.43 0.00 1.07 0.00 0.00 42.92 46.28 1ot4 s ASP 62 CO 0.08 -0.52 1.79 -0.81 1.18 0.00 0.00 175.17 176.90 1ot4 n PRO 63 N 0.62 0.75 0.00 8.23 -0.04 -1.26 -1.79 135.00 141.51 1ot4 n PRO 63 Ca -0.14 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1ot4 n PRO 63 Cb 0.58 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.60 1ot4 n PRO 63 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ot4 n LYS 64 N -1.00 1.48 -4.13 0.54 2.85 -1.26 -2.88 118.16 113.75 1ot4 n LYS 64 Ca 0.18 -1.36 -0.34 0.00 -1.05 0.00 0.00 58.31 55.74 1ot4 n LYS 64 Cb 0.08 -1.32 -0.15 0.00 -0.65 0.00 0.00 35.03 32.99 1ot4 n LYS 64 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ot4 s THR 65 N -1.57 2.78 0.05 0.58 2.01 -0.74 -0.12 115.64 118.63 1ot4 s THR 65 Ca 0.19 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1ot4 s THR 65 Cb 0.14 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1ot4 s THR 65 CO 0.27 0.48 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.51 1ot4 s MET 66 N 1.24 0.81 -0.05 4.92 -1.94 -0.08 -1.72 119.30 122.48 1ot4 s MET 66 Ca 0.03 -0.78 -0.02 0.00 -1.71 0.00 0.00 55.69 53.21 1ot4 s MET 66 Cb -0.14 -0.78 0.04 0.00 2.01 0.00 0.00 34.83 35.95 1ot4 s MET 66 CO -0.06 0.18 0.09 0.14 -0.01 0.00 0.00 175.02 175.37 1ot4 s VAL 67 N -1.00 -0.10 -0.25 -6.03 -7.23 0.71 -0.38 120.40 106.12 1ot4 s VAL 67 Ca -0.01 0.27 -0.16 0.00 -1.81 0.00 0.00 61.98 60.27 1ot4 s VAL 67 Cb -0.08 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 1ot4 s VAL 67 CO 0.01 0.11 0.41 -0.63 -0.31 0.00 0.00 175.10 174.70 1ot4 s ILE 68 N 1.51 5.15 -0.28 -0.62 1.09 0.13 -0.08 121.20 128.10 1ot4 s ILE 68 Ca -0.04 0.68 -0.01 0.00 -1.10 0.00 0.00 60.65 60.18 1ot4 s ILE 68 Cb -0.12 -3.74 0.09 0.00 -1.06 0.00 0.00 42.46 37.63 1ot4 s ILE 68 CO -0.04 0.16 0.06 -0.89 -0.10 0.00 0.00 174.94 174.13 1ot4 s THR 69 N 1.94 0.99 0.16 2.92 2.01 -0.31 -0.23 115.64 123.11 1ot4 s THR 69 Ca 0.17 -1.27 -0.30 0.00 0.31 0.00 0.00 61.69 60.61 1ot4 s THR 69 Cb -0.15 -1.63 -0.07 0.00 0.01 0.00 0.00 72.50 70.66 1ot4 s THR 69 CO 0.09 -0.50 1.12 -2.16 -0.69 0.00 0.00 174.62 172.48 1ot4 s PRO 70 N 1.59 4.56 0.27 4.92 0.04 -1.26 -2.85 135.00 142.26 1ot4 s PRO 70 Ca 0.06 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1ot4 s PRO 70 Cb -0.18 -3.29 0.38 0.00 0.04 0.00 0.00 34.50 31.45 1ot4 s PRO 70 CO -0.18 0.01 1.74 0.00 0.04 0.00 0.00 177.00 178.61 1ot4 h ALA 71 N 5.40 1.11 -2.64 8.56 0.00 -1.87 -3.43 119.26 126.38 1ot4 h ALA 71 Ca -0.44 -0.30 -0.58 0.00 0.00 0.00 0.00 54.91 53.59 1ot4 h ALA 71 Cb 1.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1ot4 h ALA 71 CO 0.74 0.56 -0.21 0.45 0.00 0.00 0.00 179.25 180.79 1ot4 s SER 72 N -6.73 6.66 -0.02 0.00 0.15 -1.26 -5.05 113.70 107.45 1ot4 s SER 72 Ca -0.08 0.84 -0.30 0.00 0.70 0.00 0.00 55.95 57.11 1ot4 s SER 72 Cb 0.14 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1ot4 s SER 72 CO 0.80 0.13 1.20 -2.16 1.20 0.00 0.00 173.24 174.41 1ot4 s PRO 73 N -2.06 4.37 -0.11 5.44 0.04 -1.26 -4.95 135.00 136.46 1ot4 s PRO 73 Ca 0.36 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1ot4 s PRO 73 Cb -0.14 -3.51 -0.06 0.00 0.04 0.00 0.00 34.50 30.83 1ot4 s PRO 73 CO 0.19 -0.40 1.94 -0.51 0.04 0.00 0.00 177.00 178.26 1ot4 s LEU 74 N 1.93 3.99 0.57 -3.56 1.43 -1.26 -4.97 118.68 116.82 1ot4 s LEU 74 Ca 0.57 2.14 -0.04 0.00 -1.03 0.00 0.00 54.13 55.77 1ot4 s LEU 74 Cb -0.26 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.45 1ot4 s LEU 74 CO 0.24 -1.38 0.86 0.42 0.23 0.00 0.00 176.35 176.72 1ot4 s THR 75 N 5.82 3.48 0.63 5.49 -4.23 -1.26 -4.06 115.64 121.51 1ot4 s THR 75 Ca 0.87 -0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 61.03 1ot4 s THR 75 Cb -0.35 -3.37 -0.08 0.00 1.34 0.00 0.00 72.50 70.05 1ot4 s THR 75 CO 0.36 -0.35 0.44 0.00 -0.54 0.00 0.00 174.62 174.53 1ot4 n ALA 76 N -2.51 -1.52 0.00 3.99 0.00 -1.26 -4.74 120.51 114.47 1ot4 n ALA 76 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ot4 n ALA 76 Cb 0.58 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.84 0.47 3.15 0.00 0.00 0.15 -4.95 105.19 105.85 1ot4 n GLY 77 Ca 0.10 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.05 1.06 0.10 2.61 2.01 -1.26 0.09 115.64 119.20 1ot4 s THR 78 Ca 0.00 -1.17 -0.04 0.00 0.31 0.00 0.00 61.69 60.79 1ot4 s THR 78 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1ot4 s THR 78 CO 0.00 -0.15 0.11 -0.31 -0.69 0.00 0.00 174.62 173.58 1ot4 s TYR 79 N -1.12 0.51 -0.10 4.92 1.51 -0.60 -1.84 117.35 120.63 1ot4 s TYR 79 Ca -0.01 -0.94 -0.00 0.00 -1.01 0.00 0.00 57.07 55.10 1ot4 s TYR 79 Cb -0.09 -0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.51 1ot4 s TYR 79 CO 0.02 -0.53 -0.06 0.15 -1.11 0.00 0.00 175.55 174.02 1ot4 s LYS 80 N -3.95 1.32 -0.52 -0.62 1.02 0.76 -1.37 119.74 116.38 1ot4 s LYS 80 Ca 0.13 -0.18 -0.18 0.00 0.02 0.00 0.00 55.97 55.77 1ot4 s LYS 80 Cb 0.06 -1.43 0.08 0.00 -0.52 0.00 0.00 37.83 36.02 1ot4 s LYS 80 CO -0.05 -0.25 0.56 0.08 -0.92 0.00 0.00 175.35 174.77 1ot4 s VAL 81 N 1.69 5.00 -0.55 3.17 1.01 -0.50 -1.15 120.40 129.07 1ot4 s VAL 81 Ca 0.04 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 1ot4 s VAL 81 Cb -0.13 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.01 1ot4 s VAL 81 CO -0.07 -0.82 0.82 -1.81 0.00 0.00 0.00 175.10 173.23 1ot4 s ASP 82 N 2.98 6.27 0.25 3.32 1.11 -0.35 -0.06 116.67 130.19 1ot4 s ASP 82 Ca 0.10 -0.67 0.06 0.00 0.18 0.00 0.00 52.55 52.21 1ot4 s ASP 82 Cb -0.23 -2.38 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 1ot4 s ASP 82 CO 0.08 -1.13 0.31 -1.66 1.18 0.00 0.00 175.17 173.95 1ot4 s TRP 83 N 3.45 3.31 -0.10 4.23 1.48 0.13 0.29 118.94 131.72 1ot4 s TRP 83 Ca 0.23 -0.07 -0.08 0.00 -1.06 0.00 0.00 56.10 55.13 1ot4 s TRP 83 Cb -0.16 -1.54 0.03 0.00 -1.16 0.00 0.00 33.47 30.64 1ot4 s TRP 83 CO 0.15 0.44 0.25 1.03 -4.06 0.00 0.00 176.95 174.76 1ot4 s ARG 84 N -3.95 0.27 0.13 3.25 0.52 0.19 0.17 118.95 119.54 1ot4 s ARG 84 Ca 0.34 0.42 0.04 0.00 -0.52 0.00 0.00 55.73 56.02 1ot4 s ARG 84 Cb -0.09 0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.40 1ot4 s ARG 84 CO 0.28 -0.08 0.12 0.00 0.02 0.00 0.00 175.30 175.64 1ot4 s ALA 85 N 0.53 3.58 0.22 2.13 0.00 0.61 -1.51 121.76 127.31 1ot4 s ALA 85 Ca -0.03 -1.14 -0.15 0.00 0.00 0.00 0.00 51.96 50.64 1ot4 s ALA 85 Cb -0.05 -1.40 -0.08 0.00 0.00 0.00 0.00 23.12 21.60 1ot4 s ALA 85 CO -0.03 0.59 0.64 0.54 0.00 0.00 0.00 175.76 177.50 1ot4 s VAL 86 N -1.63 4.75 -0.13 0.00 0.11 -1.26 -1.43 120.40 120.82 1ot4 s VAL 86 Ca 0.30 0.92 -0.05 0.00 -2.93 0.00 0.00 61.98 60.23 1ot4 s VAL 86 Cb -0.11 -3.72 0.06 0.00 -1.53 0.00 0.00 36.38 31.08 1ot4 s VAL 86 CO 0.23 0.08 0.26 -0.55 -3.33 0.00 0.00 175.10 171.80 1ot4 s SER 87 N -1.93 0.19 0.20 3.54 0.15 -1.26 -4.80 113.70 109.78 1ot4 s SER 87 Ca 0.45 0.59 -0.20 0.00 0.70 0.00 0.00 55.95 57.49 1ot4 s SER 87 Cb -0.14 0.65 0.16 0.00 -1.71 0.00 0.00 66.02 64.98 1ot4 s SER 87 CO 0.20 -0.22 1.57 0.28 1.20 0.00 0.00 173.24 176.26 1ot4 h SER 88 N 8.02 -1.32 -2.69 5.45 0.02 -1.98 -3.40 113.55 117.65 1ot4 h SER 88 Ca -0.21 0.27 -0.59 0.00 -0.84 0.00 0.00 61.79 60.42 1ot4 h SER 88 Cb 1.12 0.67 0.10 0.00 0.14 0.00 0.00 62.40 64.43 1ot4 h SER 88 CO 0.19 -0.30 0.42 0.47 -1.14 0.00 0.00 176.83 176.47 1ot4 n ASP 89 N -5.45 2.20 -4.43 3.07 8.00 -1.26 -4.80 116.55 113.88 1ot4 n ASP 89 Ca 0.07 1.17 -0.48 0.00 0.71 0.00 0.00 54.79 56.25 1ot4 n ASP 89 Cb 0.37 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.06 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ot4 n THR 90 N 1.02 1.84 -1.78 -3.53 -1.04 -1.26 -4.29 114.28 105.23 1ot4 n THR 90 Ca 0.10 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 1ot4 n THR 90 Cb 0.32 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1ot4 n THR 90 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1ot4 n HIS 91 N 0.16 -2.97 -0.53 -1.42 8.25 -1.26 -5.04 115.22 112.41 1ot4 n HIS 91 Ca 0.17 1.77 0.00 0.00 -0.26 0.00 0.00 57.72 59.40 1ot4 n HIS 91 Cb 0.25 -3.12 0.00 0.00 1.12 0.00 0.00 29.99 28.24 1ot4 n HIS 91 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ot4 n PRO 92 N 1.13 -0.07 -4.26 -0.41 -0.04 -1.26 -4.82 135.00 125.27 1ot4 n PRO 92 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1ot4 n PRO 92 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1ot4 n PRO 92 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ot4 s ILE 93 N -0.71 3.70 0.34 0.52 -4.36 -0.51 -4.93 121.20 115.24 1ot4 s ILE 93 Ca 0.00 -1.01 0.09 0.00 -0.26 0.00 0.00 60.65 59.47 1ot4 s ILE 93 Cb 0.00 -2.71 -0.06 0.00 1.25 0.00 0.00 42.46 40.94 1ot4 s ILE 93 CO 0.00 0.20 -0.07 0.42 0.24 0.00 0.00 174.94 175.73 1ot4 s THR 94 N -1.19 2.33 0.18 8.37 -4.23 -1.26 -0.28 115.64 119.56 1ot4 s THR 94 Ca 0.22 -2.14 -0.23 0.00 -1.18 0.00 0.00 61.69 58.35 1ot4 s THR 94 Cb -0.11 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.09 1ot4 s THR 94 CO 0.14 -0.20 0.73 -0.83 -0.54 0.00 0.00 174.62 173.92 1ot4 s GLY 95 N -3.64 -0.35 -0.14 3.99 0.00 0.46 -4.87 107.32 102.77 1ot4 s GLY 95 Ca 0.33 0.21 -0.17 0.00 0.00 0.00 0.00 44.72 45.08 1ot4 s GLY 95 CO 0.17 0.07 0.47 -1.35 0.00 0.00 0.00 173.10 172.46 1ot4 s SER 96 N -2.81 -0.46 -0.27 1.64 1.04 -1.26 0.18 113.70 111.77 1ot4 s SER 96 Ca 0.07 0.80 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 1ot4 s SER 96 Cb -0.03 0.83 0.09 0.00 0.10 0.00 0.00 66.02 67.01 1ot4 s SER 96 CO -0.03 -0.25 0.08 -0.69 0.98 0.00 0.00 173.24 173.34 1ot4 s VAL 97 N -0.11 0.58 0.16 5.02 1.01 0.91 -4.94 120.40 123.02 1ot4 s VAL 97 Ca -0.03 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 1ot4 s VAL 97 Cb -0.03 -1.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1ot4 s VAL 97 CO 0.02 -0.52 0.75 0.28 0.00 0.00 0.00 175.10 175.63 1ot4 s THR 98 N 1.79 4.41 0.11 3.92 -1.32 -1.26 -1.40 115.64 121.89 1ot4 s THR 98 Ca 0.06 1.64 -0.12 0.00 -1.21 0.00 0.00 61.69 62.06 1ot4 s THR 98 Cb -0.17 -4.10 0.01 0.00 -1.51 0.00 0.00 72.50 66.73 1ot4 s THR 98 CO -0.21 0.51 0.28 0.72 -2.21 0.00 0.00 174.62 173.72 1ot4 s PHE 99 N -1.16 0.03 0.34 9.09 -0.12 -0.47 0.41 117.98 126.09 1ot4 s PHE 99 Ca 0.35 -0.41 0.07 0.00 -0.05 0.00 0.00 56.93 56.90 1ot4 s PHE 99 Cb -0.22 0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.21 1ot4 s PHE 99 CO 0.25 -0.62 0.33 0.15 -0.05 0.00 0.00 175.22 175.28 1ot4 s LYS 100 N -3.85 2.78 -0.16 1.99 1.02 -0.46 -1.56 119.74 119.51 1ot4 s LYS 100 Ca 0.05 -1.26 -0.05 0.00 0.02 0.00 0.00 55.97 54.73 1ot4 s LYS 100 Cb 0.03 -2.53 0.08 0.00 -0.52 0.00 0.00 37.83 34.89 1ot4 s LYS 100 CO -0.11 0.07 0.32 0.08 -0.92 0.00 0.00 175.35 174.79 1ot4 s VAL 101 N -2.29 -0.49 -2.78 3.17 1.01 0.11 -2.95 120.40 116.17 1ot4 s VAL 101 Ca 0.42 0.19 0.26 0.00 0.00 0.00 0.00 61.98 62.85 1ot4 s VAL 101 Cb -0.06 -0.56 0.35 0.00 0.00 0.00 0.00 36.38 36.11 1ot4 s VAL 101 CO 0.27 0.06 1.47 0.29 0.00 0.00 0.00 175.10 177.20