#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 4.60 0.08 -0.41 0.04 -1.26 -5.04 135.00 133.00 1ot4 s PRO 2 Ca 0.00 1.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 1ot4 s PRO 2 Cb 0.00 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 1ot4 s PRO 2 CO 0.00 0.10 0.18 0.15 0.04 0.00 0.00 177.00 177.47 1ot4 s LYS 3 N -0.68 0.80 1.17 4.56 1.02 -1.26 -4.86 119.74 120.49 1ot4 s LYS 3 Ca 0.48 -0.90 -0.17 0.00 0.02 0.00 0.00 55.97 55.40 1ot4 s LYS 3 Cb -0.30 0.32 0.21 0.00 -0.52 0.00 0.00 37.83 37.54 1ot4 s LYS 3 CO 0.37 -0.25 0.40 1.47 -0.92 0.00 0.00 175.35 176.42 1ot4 n LEU 4 N 0.11 -1.60 0.00 3.17 -0.00 -1.26 -4.97 117.00 112.44 1ot4 n LEU 4 Ca -0.16 -0.37 0.00 0.00 -0.00 0.00 0.00 56.01 55.49 1ot4 n LEU 4 Cb 0.62 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1ot4 n LEU 4 CO 0.23 -3.46 0.07 0.52 -0.00 0.00 0.00 177.39 174.74 1ot4 n VAL 5 N -4.79 0.00 -4.21 1.47 0.31 -1.26 -4.94 118.33 104.92 1ot4 n VAL 5 Ca 0.05 0.54 -0.17 0.00 -0.01 0.00 0.00 64.34 64.74 1ot4 n VAL 5 Cb 0.52 -1.34 -0.12 0.00 -0.91 0.00 0.00 33.84 31.98 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 -1.81 1.35 0.23 4.52 0.01 -1.24 -5.05 113.70 111.72 1ot4 s SER 6 Ca 0.00 -0.49 -0.19 0.00 1.31 0.00 0.00 55.95 56.58 1ot4 s SER 6 Cb 0.00 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.21 1ot4 s SER 6 CO 0.00 -0.06 0.61 -0.94 0.41 0.00 0.00 173.24 173.26 1ot4 s SER 7 N -1.33 -0.27 -0.40 2.44 1.04 -1.26 0.70 113.70 114.62 1ot4 s SER 7 Ca -0.03 -0.54 0.11 0.00 0.48 0.00 0.00 55.95 55.98 1ot4 s SER 7 Cb -0.08 0.64 0.36 0.00 0.10 0.00 0.00 66.02 67.04 1ot4 s SER 7 CO 0.01 -1.17 0.78 0.41 0.98 0.00 0.00 173.24 174.25 1ot4 n THR 8 N -0.40 0.42 0.04 2.02 -1.04 0.14 -4.92 114.28 110.54 1ot4 n THR 8 Ca -0.07 -4.61 -0.02 0.00 -2.04 0.00 0.00 64.05 57.31 1ot4 n THR 8 Cb 0.61 -0.36 -0.01 0.00 -1.82 0.00 0.00 70.33 68.75 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 2.99 -0.13 0.00 -2.82 0.13 -1.88 -1.42 132.00 128.86 1ot4 h PRO 9 Ca 0.09 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ot4 h PRO 9 Cb 0.92 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ot4 h PRO 9 CO 0.55 -0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.23 1ot4 n ALA 10 N -2.30 0.00 -1.26 -0.56 0.00 -1.26 -4.59 120.51 110.54 1ot4 n ALA 10 Ca -0.02 0.00 -0.60 0.00 0.00 0.00 0.00 53.44 52.83 1ot4 n ALA 10 Cb 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 -3.54 0.00 1.02 -1.26 0.11 120.64 116.98 1ot4 n GLU 11 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1ot4 n GLU 11 Cb 0.00 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 29.90 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 7.14 -0.41 3.55 0.62 0.00 0.16 -4.74 105.19 111.50 1ot4 n GLY 12 Ca 0.52 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 46.21 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 5.33 -0.20 1.61 0.01 0.31 -4.71 113.70 113.45 1ot4 s SER 13 Ca 0.46 0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.82 1ot4 s SER 13 Cb -0.27 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.39 1ot4 s SER 13 CO 0.57 -2.37 0.04 -1.61 0.41 0.00 0.00 173.24 170.28 1ot4 s GLU 14 N 6.93 3.78 0.00 12.44 2.02 -1.26 -0.09 118.70 142.51 1ot4 s GLU 14 Ca 0.65 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1ot4 s GLU 14 Cb -0.12 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1ot4 s GLU 14 CO 0.18 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.95 1ot4 n GLY 15 N 4.09 3.53 3.61 -1.39 0.00 -1.23 -4.94 105.19 108.86 1ot4 n GLY 15 Ca -0.17 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.19 0.06 4.61 0.00 -1.24 -1.04 121.76 121.96 1ot4 s ALA 16 Ca 0.00 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 52.88 1ot4 s ALA 16 Cb 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 1ot4 s ALA 16 CO 0.00 -0.85 0.63 0.00 0.00 0.00 0.00 175.76 175.54 1ot4 s ALA 17 N -2.38 3.51 0.96 0.00 0.00 -1.26 -4.70 121.76 117.90 1ot4 s ALA 17 Ca 0.12 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.06 1ot4 s ALA 17 Cb 0.02 -2.76 0.17 0.00 0.00 0.00 0.00 23.12 20.56 1ot4 s ALA 17 CO -0.04 0.28 1.16 -1.25 0.00 0.00 0.00 175.76 175.91 1ot4 s PRO 18 N -0.72 0.69 -0.00 0.00 0.04 -1.26 -4.99 135.00 128.76 1ot4 s PRO 18 Ca 0.32 0.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.22 1ot4 s PRO 18 Cb -0.20 -1.80 -0.19 0.00 0.04 0.00 0.00 34.50 32.35 1ot4 s PRO 18 CO 0.20 -2.47 1.33 0.00 0.04 0.00 0.00 177.00 176.11 1ot4 h ALA 19 N -1.69 -0.03 -2.49 8.56 0.00 -1.97 -3.47 119.26 118.17 1ot4 h ALA 19 Ca -0.49 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 1ot4 h ALA 19 Cb 1.31 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.95 1ot4 h ALA 19 CO 0.54 -0.31 -0.01 -1.59 0.00 0.00 0.00 179.25 177.87 1ot4 s LYS 20 N -4.57 0.99 0.22 0.00 0.00 -1.26 -4.70 119.74 110.42 1ot4 s LYS 20 Ca -0.15 -0.25 -0.19 0.00 0.00 0.00 0.00 55.97 55.37 1ot4 s LYS 20 Cb 0.02 0.45 -0.08 0.00 0.00 0.00 0.00 37.83 38.22 1ot4 s LYS 20 CO 0.66 -0.35 0.71 0.42 0.00 0.00 0.00 175.35 176.80 1ot4 s ILE 21 N -2.36 4.59 0.12 3.79 1.09 0.54 -4.89 121.20 124.08 1ot4 s ILE 21 Ca -0.06 1.24 0.09 0.00 -1.10 0.00 0.00 60.65 60.82 1ot4 s ILE 21 Cb -0.01 -3.84 -0.04 0.00 -1.06 0.00 0.00 42.46 37.51 1ot4 s ILE 21 CO -0.01 0.20 -0.17 -0.70 -0.10 0.00 0.00 174.94 174.15 1ot4 s GLU 22 N -2.01 1.82 -0.06 2.79 -6.30 -0.54 -0.33 118.70 114.07 1ot4 s GLU 22 Ca 0.43 -1.17 -0.10 0.00 -2.50 0.00 0.00 54.97 51.63 1ot4 s GLU 22 Cb -0.16 -2.13 0.02 0.00 0.00 0.00 0.00 34.13 31.86 1ot4 s GLU 22 CO 0.21 0.48 0.24 -0.51 0.02 0.00 0.00 175.26 175.70 1ot4 s LEU 23 N -2.18 1.11 0.10 2.70 1.43 0.10 0.24 118.68 122.18 1ot4 s LEU 23 Ca 0.18 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1ot4 s LEU 23 Cb -0.11 0.90 -0.04 0.00 0.03 0.00 0.00 46.19 46.97 1ot4 s LEU 23 CO 0.11 -0.21 -0.04 -1.00 0.23 0.00 0.00 176.35 175.43 1ot4 s HIS 24 N -0.43 0.84 -0.21 0.29 3.76 0.22 -0.36 115.29 119.40 1ot4 s HIS 24 Ca -0.05 -0.98 -0.13 0.00 -0.15 0.00 0.00 55.06 53.75 1ot4 s HIS 24 Cb -0.04 -0.51 0.07 0.00 1.11 0.00 0.00 32.58 33.22 1ot4 s HIS 24 CO 0.01 -0.23 0.53 -0.06 -0.85 0.00 0.00 174.74 174.14 1ot4 s PHE 25 N -3.72 -0.77 -0.79 1.40 0.08 -0.23 -3.67 117.98 110.28 1ot4 s PHE 25 Ca 0.13 1.61 0.18 0.00 0.12 0.00 0.00 56.93 58.97 1ot4 s PHE 25 Cb 0.06 0.39 0.75 0.00 -0.57 0.00 0.00 43.02 43.66 1ot4 s PHE 25 CO -0.05 -0.40 1.55 0.45 -0.10 0.00 0.00 175.22 176.67 1ot4 n SER 26 N 4.11 0.27 -4.07 1.36 2.88 -1.26 -4.63 113.62 112.28 1ot4 n SER 26 Ca -0.21 0.57 -0.20 0.00 -1.33 0.00 0.00 58.87 57.70 1ot4 n SER 26 Cb 0.57 -0.62 -0.15 0.00 -0.75 0.00 0.00 64.21 63.26 1ot4 n SER 26 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1ot4 s GLU 27 N -3.13 0.89 0.29 -1.46 2.12 -1.26 -5.11 118.70 111.04 1ot4 s GLU 27 Ca 0.06 -0.46 -0.25 0.00 0.36 0.00 0.00 54.97 54.68 1ot4 s GLU 27 Cb 0.09 -0.86 -0.16 0.00 0.26 0.00 0.00 34.13 33.45 1ot4 s GLU 27 CO 0.31 0.23 0.34 -1.71 -0.54 0.00 0.00 175.26 173.89 1ot4 n ASN 28 N 2.63 -1.91 -4.16 -1.70 5.15 -1.26 -4.77 115.26 109.24 1ot4 n ASN 28 Ca -0.15 0.99 -0.38 0.00 -0.60 0.00 0.00 54.58 54.44 1ot4 n ASN 28 Cb 0.56 -0.93 -0.10 0.00 -0.53 0.00 0.00 39.78 38.78 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1ot4 s LEU 29 N 3.53 5.47 0.68 1.20 1.98 -1.22 -4.94 118.68 125.38 1ot4 s LEU 29 Ca 0.62 -2.02 -0.12 0.00 -2.89 0.00 0.00 54.13 49.71 1ot4 s LEU 29 Cb -0.80 -1.91 0.01 0.00 0.66 0.00 0.00 46.19 44.14 1ot4 s LEU 29 CO 0.59 -0.60 1.07 -0.69 -1.89 0.00 0.00 176.35 174.83 1ot4 s VAL 30 N 1.18 3.77 -0.96 1.68 1.01 -1.26 -4.76 120.40 121.05 1ot4 s VAL 30 Ca 0.08 0.66 -0.00 0.00 0.00 0.00 0.00 61.98 62.71 1ot4 s VAL 30 Cb -0.24 -3.27 0.32 0.00 0.00 0.00 0.00 36.38 33.19 1ot4 s VAL 30 CO -0.03 -0.67 1.64 1.07 0.00 0.00 0.00 175.10 177.11 1ot4 n THR 31 N -2.88 5.50 -0.10 3.92 5.66 -1.26 -4.51 114.28 120.61 1ot4 n THR 31 Ca 0.08 -5.91 -0.14 0.00 -3.05 0.00 0.00 64.05 55.04 1ot4 n THR 31 Cb 0.53 -1.59 -0.05 0.00 -1.55 0.00 0.00 70.33 67.67 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 0.06 0.52 -0.69 1.09 -0.06 -1.26 -4.79 117.38 112.26 1ot4 n GLN 32 Ca 0.42 0.36 0.01 0.00 -2.00 0.00 0.00 57.00 55.79 1ot4 n GLN 32 Cb 0.29 -1.56 0.01 0.00 -4.06 0.00 0.00 30.24 24.92 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 -4.46 0.00 -2.54 3.69 3.01 -1.26 -5.10 117.46 110.80 1ot4 n PHE 33 Ca -0.23 -0.16 -0.23 0.00 1.01 0.00 0.00 57.45 57.84 1ot4 n PHE 33 Cb 0.54 -0.08 0.04 0.00 -0.01 0.00 0.00 39.48 39.98 1ot4 n PHE 33 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ot4 s SER 34 N -1.30 5.27 0.00 4.37 0.15 -1.26 -4.71 113.70 116.22 1ot4 s SER 34 Ca 0.09 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1ot4 s SER 34 Cb 0.09 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 1ot4 s SER 34 CO -0.03 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 173.82 1ot4 n GLY 35 N -2.49 -2.54 3.39 9.45 0.00 0.14 -4.94 105.19 108.19 1ot4 n GLY 35 Ca 0.07 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.86 -1.31 -0.22 4.61 0.00 -1.26 0.60 121.76 122.32 1ot4 s ALA 36 Ca 0.00 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1ot4 s ALA 36 Cb 0.00 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.29 1ot4 s ALA 36 CO 0.00 -0.35 0.52 0.15 0.00 0.00 0.00 175.76 176.08 1ot4 s LYS 37 N -1.46 0.48 -0.10 0.00 3.01 0.82 -4.65 119.74 117.84 1ot4 s LYS 37 Ca -0.11 1.05 -0.15 0.00 -1.01 0.00 0.00 55.97 55.75 1ot4 s LYS 37 Cb -0.02 0.22 -0.05 0.00 -1.01 0.00 0.00 37.83 36.97 1ot4 s LYS 37 CO 0.06 -0.18 0.36 -1.17 0.51 0.00 0.00 175.35 174.93 1ot4 s LEU 38 N 1.94 4.33 -0.01 3.17 2.96 -1.26 -0.87 118.68 128.93 1ot4 s LEU 38 Ca -0.07 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1ot4 s LEU 38 Cb -0.09 -2.50 0.00 0.00 0.50 0.00 0.00 46.19 44.11 1ot4 s LEU 38 CO -0.15 0.16 -0.07 0.68 -1.32 0.00 0.00 176.35 175.65 1ot4 s VAL 39 N -0.04 0.58 -0.65 1.68 -7.23 -0.98 -0.08 120.40 113.68 1ot4 s VAL 39 Ca 0.21 -0.27 -0.19 0.00 -1.81 0.00 0.00 61.98 59.92 1ot4 s VAL 39 Cb -0.15 -0.51 0.11 0.00 0.56 0.00 0.00 36.38 36.39 1ot4 s VAL 39 CO 0.08 0.18 0.78 -0.32 -0.31 0.00 0.00 175.10 175.52 1ot4 s MET 40 N 0.08 3.15 -0.84 4.82 1.75 -1.03 -0.25 119.30 126.98 1ot4 s MET 40 Ca -0.01 -1.40 0.01 0.00 -1.25 0.00 0.00 55.69 53.04 1ot4 s MET 40 Cb -0.06 -4.35 0.33 0.00 2.84 0.00 0.00 34.83 33.60 1ot4 s MET 40 CO -0.00 -1.58 1.50 -2.37 -0.65 0.00 0.00 175.02 171.92 1ot4 n THR 41 N 5.46 4.80 -0.22 10.11 5.66 -0.79 -3.09 114.28 136.22 1ot4 n THR 41 Ca -0.04 -5.73 -0.08 0.00 -3.05 0.00 0.00 64.05 55.15 1ot4 n THR 41 Cb 0.44 -1.47 -0.07 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 3.66 -0.45 -3.19 1.79 0.00 -1.78 -3.41 119.26 115.88 1ot4 h ALA 42 Ca 0.39 0.05 -0.24 0.00 0.00 0.00 0.00 54.91 55.11 1ot4 h ALA 42 Cb 0.39 1.17 -0.32 0.00 0.00 0.00 0.00 17.79 19.03 1ot4 h ALA 42 CO 1.05 -0.69 -0.58 1.41 0.00 0.00 0.00 179.25 180.44 1ot4 s MET 43 N -4.69 0.11 -0.10 0.00 1.75 -1.26 -4.77 119.30 110.34 1ot4 s MET 43 Ca -0.08 0.43 -0.30 0.00 -1.25 0.00 0.00 55.69 54.49 1ot4 s MET 43 Cb 0.07 -0.18 -0.03 0.00 2.84 0.00 0.00 34.83 37.54 1ot4 s MET 43 CO 0.41 -0.18 1.24 -1.25 -0.65 0.00 0.00 175.02 174.59 1ot4 s PRO 44 N 1.33 4.29 -0.07 4.11 0.04 -1.26 -4.87 135.00 138.56 1ot4 s PRO 44 Ca -0.08 1.69 -0.07 0.00 0.04 0.00 0.00 61.00 62.58 1ot4 s PRO 44 Cb -0.11 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1ot4 s PRO 44 CO -0.06 -0.57 -0.15 0.41 0.04 0.00 0.00 177.00 176.66 1ot4 n GLY 45 N 3.50 -0.21 3.19 0.56 0.00 -1.26 -4.84 105.19 106.12 1ot4 n GLY 45 Ca 0.12 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ot4 n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ot4 s MET 46 N -2.29 3.17 -0.60 1.61 -1.94 -1.26 -4.82 119.30 113.18 1ot4 s MET 46 Ca -0.14 -2.72 -0.24 0.00 -1.71 0.00 0.00 55.69 50.87 1ot4 s MET 46 Cb 0.04 -4.06 0.04 0.00 2.01 0.00 0.00 34.83 32.86 1ot4 s MET 46 CO 0.19 -1.23 0.64 -1.91 -0.01 0.00 0.00 175.02 172.70 1ot4 n GLU 47 N 3.33 -1.79 -3.17 2.03 2.13 -1.26 -3.43 120.64 118.49 1ot4 n GLU 47 Ca 0.14 1.17 -0.00 0.00 0.66 0.00 0.00 57.16 59.13 1ot4 n GLU 47 Cb 0.41 -2.14 -0.00 0.00 0.27 0.00 0.00 31.44 29.98 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 -1.13 -0.16 -3.81 4.31 1.44 -1.26 -4.90 115.22 109.70 1ot4 n HIS 48 Ca -0.18 0.07 -0.31 0.00 -2.01 0.00 0.00 57.72 55.29 1ot4 n HIS 48 Cb 0.69 -1.12 -0.10 0.00 0.12 0.00 0.00 29.99 29.58 1ot4 n HIS 48 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1ot4 s SER 49 N -0.99 5.19 0.57 4.39 1.04 -1.22 -5.01 113.70 117.67 1ot4 s SER 49 Ca -0.00 -3.76 -0.16 0.00 0.48 0.00 0.00 55.95 52.51 1ot4 s SER 49 Cb 0.00 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.34 1ot4 s SER 49 CO 0.03 -0.13 1.05 -2.16 0.98 0.00 0.00 173.24 173.01 1ot4 s PRO 50 N -1.34 3.45 -0.59 4.02 0.04 -1.26 -4.86 135.00 134.45 1ot4 s PRO 50 Ca 0.25 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1ot4 s PRO 50 Cb -0.07 -2.05 0.15 0.00 0.04 0.00 0.00 34.50 32.57 1ot4 s PRO 50 CO -0.14 -0.70 0.38 -1.64 0.04 0.00 0.00 177.00 174.93 1ot4 s MET 51 N -3.98 2.33 0.32 4.56 -1.94 -1.18 -4.95 119.30 114.47 1ot4 s MET 51 Ca 0.63 -2.64 -0.24 0.00 -1.71 0.00 0.00 55.69 51.73 1ot4 s MET 51 Cb -0.15 -3.55 -0.16 0.00 2.01 0.00 0.00 34.83 32.98 1ot4 s MET 51 CO 0.34 -1.15 0.27 0.00 -0.01 0.00 0.00 175.02 174.47 1ot4 n ALA 52 N 3.20 -2.89 -2.60 3.03 0.00 -1.26 -2.47 120.51 117.51 1ot4 n ALA 52 Ca 0.08 0.24 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1ot4 n ALA 52 Cb 0.35 -1.54 -0.10 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.41 3.58 -0.70 0.00 0.11 0.89 -4.81 120.40 118.07 1ot4 s VAL 53 Ca 0.61 -0.98 -0.26 0.00 -2.93 0.00 0.00 61.98 58.42 1ot4 s VAL 53 Cb -0.75 -2.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 1ot4 s VAL 53 CO 0.60 0.26 1.94 -0.75 -3.33 0.00 0.00 175.10 173.82 1ot4 s LYS 54 N -1.81 2.54 0.27 1.54 2.20 -1.26 -4.62 119.74 118.60 1ot4 s LYS 54 Ca 0.20 0.39 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 1ot4 s LYS 54 Cb -0.11 -4.61 -0.03 0.00 -1.51 0.00 0.00 37.83 31.56 1ot4 s LYS 54 CO 0.11 -3.01 0.22 0.00 -0.36 0.00 0.00 175.35 172.31 1ot4 s ALA 55 N 9.76 1.53 -0.07 3.13 0.00 -1.26 -2.25 121.76 132.60 1ot4 s ALA 55 Ca 0.71 -1.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 1ot4 s ALA 55 Cb -0.11 1.43 0.02 0.00 0.00 0.00 0.00 23.12 24.46 1ot4 s ALA 55 CO 0.14 -0.64 0.28 0.00 0.00 0.00 0.00 175.76 175.54 1ot4 s ALA 56 N -3.75 -0.69 -0.18 0.00 0.00 -1.09 -4.85 121.76 111.19 1ot4 s ALA 56 Ca 0.40 0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 1ot4 s ALA 56 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1ot4 s ALA 56 CO 0.21 -0.19 0.02 0.54 0.00 0.00 0.00 175.76 176.34 1ot4 s VAL 57 N -0.52 4.34 0.02 0.00 0.11 -1.26 -1.22 120.40 121.88 1ot4 s VAL 57 Ca -0.06 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 1ot4 s VAL 57 Cb -0.04 -2.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.85 1ot4 s VAL 57 CO 0.02 0.45 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.75 1ot4 s SER 58 N 0.57 0.53 0.47 3.54 0.01 -0.03 -5.00 113.70 113.79 1ot4 s SER 58 Ca 0.01 -0.41 -0.19 0.00 1.31 0.00 0.00 55.95 56.66 1ot4 s SER 58 Cb -0.14 0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.04 1ot4 s SER 58 CO 0.02 -0.18 0.99 -0.83 0.41 0.00 0.00 173.24 173.65 1ot4 s GLY 59 N -1.18 2.33 0.00 3.44 0.00 -1.26 0.53 107.32 111.18 1ot4 s GLY 59 Ca -0.09 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1ot4 s GLY 59 CO -0.00 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1ot4 n GLY 60 N -0.78 0.87 0.15 0.20 0.00 0.26 -4.77 105.19 101.12 1ot4 n GLY 60 Ca 0.08 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.59 -0.02 0.00 -1.98 -3.45 103.07 94.74 1ot4 h GLY 61 Ca 0.00 0.11 -0.47 0.00 0.00 0.00 0.00 47.33 46.96 1ot4 h GLY 61 CO 0.00 -0.11 -0.40 0.99 0.00 0.00 0.00 176.54 177.02 1ot4 s ASP 62 N -5.14 5.50 0.26 0.19 1.11 -1.26 -5.00 116.67 112.33 1ot4 s ASP 62 Ca -0.15 -0.41 0.25 0.00 0.18 0.00 0.00 52.55 52.42 1ot4 s ASP 62 Cb 0.03 -1.01 0.90 0.00 1.07 0.00 0.00 42.92 43.91 1ot4 s ASP 62 CO 0.61 -0.42 1.75 1.55 1.18 0.00 0.00 175.17 179.85 1ot4 h PRO 63 N 1.09 0.00 -0.00 8.23 0.13 -1.93 -2.40 132.00 137.13 1ot4 h PRO 63 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ot4 h PRO 63 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ot4 h PRO 63 CO 0.56 0.00 -0.34 0.36 -0.23 0.00 0.00 178.00 178.35 1ot4 n LYS 64 N -2.32 0.03 -3.84 0.86 2.85 -1.26 -3.46 118.16 111.01 1ot4 n LYS 64 Ca 0.04 -0.02 -0.36 0.00 -1.05 0.00 0.00 58.31 56.92 1ot4 n LYS 64 Cb 0.34 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.08 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 -2.98 3.60 0.27 0.58 2.01 -0.90 -1.07 115.64 117.14 1ot4 s THR 65 Ca 0.13 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.55 1ot4 s THR 65 Cb 0.18 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1ot4 s THR 65 CO 0.64 0.23 0.23 -0.04 -0.69 0.00 0.00 174.62 175.00 1ot4 s MET 66 N 1.47 2.94 -0.22 4.92 -1.94 0.52 0.91 119.30 127.90 1ot4 s MET 66 Ca 0.03 -1.06 -0.08 0.00 -1.71 0.00 0.00 55.69 52.87 1ot4 s MET 66 Cb -0.16 -2.58 0.09 0.00 2.01 0.00 0.00 34.83 34.19 1ot4 s MET 66 CO -0.01 0.35 0.47 0.54 -0.01 0.00 0.00 175.02 176.37 1ot4 s VAL 67 N -2.15 -0.58 -0.24 -6.03 0.11 0.19 0.01 120.40 111.71 1ot4 s VAL 67 Ca 0.34 0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 59.37 1ot4 s VAL 67 Cb -0.08 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1ot4 s VAL 67 CO 0.26 0.05 0.36 -0.63 -3.33 0.00 0.00 175.10 171.80 1ot4 s ILE 68 N 2.42 5.21 -0.26 7.04 1.09 0.55 -0.85 121.20 136.40 1ot4 s ILE 68 Ca -0.04 0.58 0.01 0.00 -1.10 0.00 0.00 60.65 60.10 1ot4 s ILE 68 Cb -0.11 -3.69 0.07 0.00 -1.06 0.00 0.00 42.46 37.67 1ot4 s ILE 68 CO -0.14 0.22 -0.01 -0.89 -0.10 0.00 0.00 174.94 174.01 1ot4 s THR 69 N 1.61 1.48 0.17 2.92 2.01 -0.35 -0.34 115.64 123.14 1ot4 s THR 69 Ca 0.16 -1.35 -0.30 0.00 0.31 0.00 0.00 61.69 60.51 1ot4 s THR 69 Cb -0.15 -1.85 -0.08 0.00 0.01 0.00 0.00 72.50 70.44 1ot4 s THR 69 CO 0.08 -0.25 1.12 -2.16 -0.69 0.00 0.00 174.62 172.72 1ot4 s PRO 70 N 1.39 4.57 0.27 4.92 0.04 -1.26 -2.69 135.00 142.24 1ot4 s PRO 70 Ca -0.01 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1ot4 s PRO 70 Cb -0.19 -3.28 0.36 0.00 0.04 0.00 0.00 34.50 31.44 1ot4 s PRO 70 CO -0.09 0.03 1.67 0.00 0.04 0.00 0.00 177.00 178.64 1ot4 h ALA 71 N 5.23 1.02 -2.71 8.56 0.00 -1.78 -3.44 119.26 126.14 1ot4 h ALA 71 Ca -0.44 -0.41 -0.58 0.00 0.00 0.00 0.00 54.91 53.48 1ot4 h ALA 71 Cb 1.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1ot4 h ALA 71 CO 0.73 0.60 -0.47 0.45 0.00 0.00 0.00 179.25 180.57 1ot4 s SER 72 N -6.86 6.36 0.07 0.00 0.15 -1.19 -5.07 113.70 107.16 1ot4 s SER 72 Ca -0.06 0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.53 1ot4 s SER 72 Cb 0.13 -1.95 -0.06 0.00 -1.71 0.00 0.00 66.02 62.44 1ot4 s SER 72 CO 0.79 0.10 1.16 -2.16 1.20 0.00 0.00 173.24 174.33 1ot4 s PRO 73 N -2.91 4.47 -0.25 5.44 0.04 -1.26 -4.98 135.00 135.56 1ot4 s PRO 73 Ca 0.35 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1ot4 s PRO 73 Cb -0.12 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.07 1ot4 s PRO 73 CO 0.28 -0.18 1.28 -0.51 0.04 0.00 0.00 177.00 177.91 1ot4 s LEU 74 N 0.82 4.00 0.70 -3.56 1.43 -1.26 -5.01 118.68 115.79 1ot4 s LEU 74 Ca 0.56 1.39 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1ot4 s LEU 74 Cb -0.28 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.50 1ot4 s LEU 74 CO 0.30 -0.95 0.97 0.42 0.23 0.00 0.00 176.35 177.32 1ot4 s THR 75 N 4.03 2.26 0.97 5.49 -4.23 -1.26 -4.67 115.64 118.23 1ot4 s THR 75 Ca 0.55 -0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 60.43 1ot4 s THR 75 Cb -0.18 -2.73 0.14 0.00 1.34 0.00 0.00 72.50 71.06 1ot4 s THR 75 CO 0.19 0.00 0.93 0.00 -0.54 0.00 0.00 174.62 175.20 1ot4 n ALA 76 N -2.81 -1.63 0.00 3.99 0.00 -1.26 -4.76 120.51 114.04 1ot4 n ALA 76 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1ot4 n ALA 76 Cb 0.60 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 0.71 0.54 3.08 0.00 0.00 0.15 -4.88 105.19 104.78 1ot4 n GLY 77 Ca 0.09 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.18 1.22 0.22 2.61 2.01 -1.26 0.20 115.64 119.46 1ot4 s THR 78 Ca 0.00 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1ot4 s THR 78 Cb 0.00 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1ot4 s THR 78 CO 0.00 0.36 0.13 -0.31 -0.69 0.00 0.00 174.62 174.11 1ot4 s TYR 79 N 0.21 1.30 -0.17 4.92 1.51 -0.62 -1.89 117.35 122.62 1ot4 s TYR 79 Ca -0.06 -1.33 -0.04 0.00 -1.01 0.00 0.00 57.07 54.63 1ot4 s TYR 79 Cb -0.12 -0.68 0.09 0.00 -0.11 0.00 0.00 41.96 41.14 1ot4 s TYR 79 CO 0.02 -0.55 0.27 0.21 -1.11 0.00 0.00 175.55 174.39 1ot4 s LYS 80 N -4.09 0.19 -0.48 -0.62 2.20 0.65 -1.32 119.74 116.28 1ot4 s LYS 80 Ca 0.39 0.53 -0.24 0.00 -0.36 0.00 0.00 55.97 56.28 1ot4 s LYS 80 Cb 0.07 -0.52 0.03 0.00 -1.51 0.00 0.00 37.83 35.90 1ot4 s LYS 80 CO 0.13 -0.47 0.87 0.08 -0.36 0.00 0.00 175.35 175.60 1ot4 s VAL 81 N 2.41 4.53 -0.32 4.02 1.01 0.72 -2.33 120.40 130.44 1ot4 s VAL 81 Ca 0.05 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 1ot4 s VAL 81 Cb -0.14 -4.41 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1ot4 s VAL 81 CO -0.11 -0.85 0.54 -1.81 0.00 0.00 0.00 175.10 172.86 1ot4 s ASP 82 N 2.35 6.38 0.27 3.32 1.11 -0.04 0.42 116.67 130.48 1ot4 s ASP 82 Ca 0.32 0.19 0.10 0.00 0.18 0.00 0.00 52.55 53.35 1ot4 s ASP 82 Cb -0.12 -2.28 -0.04 0.00 1.07 0.00 0.00 42.92 41.55 1ot4 s ASP 82 CO 0.23 -0.44 -0.03 -1.66 1.18 0.00 0.00 175.17 174.45 1ot4 s TRP 83 N 2.43 2.63 -0.10 4.23 1.48 0.23 -0.13 118.94 129.70 1ot4 s TRP 83 Ca 0.21 -0.25 -0.04 0.00 -1.06 0.00 0.00 56.10 54.95 1ot4 s TRP 83 Cb -0.15 -1.18 0.05 0.00 -1.16 0.00 0.00 33.47 31.02 1ot4 s TRP 83 CO 0.12 0.62 0.21 1.03 -4.06 0.00 0.00 176.95 174.87 1ot4 s ARG 84 N -3.65 0.11 0.45 3.25 3.00 0.20 -0.53 118.95 121.78 1ot4 s ARG 84 Ca 0.31 0.60 0.08 0.00 0.00 0.00 0.00 55.73 56.72 1ot4 s ARG 84 Cb -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 34.95 34.75 1ot4 s ARG 84 CO 0.19 -0.26 0.49 0.00 0.00 0.00 0.00 175.30 175.72 1ot4 s ALA 85 N 2.03 4.32 -0.05 2.13 0.00 0.87 -0.68 121.76 130.38 1ot4 s ALA 85 Ca -0.01 -1.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.04 1ot4 s ALA 85 Cb -0.12 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1ot4 s ALA 85 CO -0.07 -0.36 0.27 0.54 0.00 0.00 0.00 175.76 176.14 1ot4 s VAL 86 N -2.51 0.04 -0.41 0.00 0.11 -1.26 0.13 120.40 116.51 1ot4 s VAL 86 Ca 0.50 -0.34 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 1ot4 s VAL 86 Cb -0.05 -0.50 0.21 0.00 -1.53 0.00 0.00 36.38 34.51 1ot4 s VAL 86 CO 0.30 -0.19 0.45 -0.24 -3.33 0.00 0.00 175.10 172.09 1ot4 n SER 87 N 1.94 -0.43 -1.28 3.54 2.88 -1.26 -4.52 113.62 114.48 1ot4 n SER 87 Ca -0.18 -2.55 0.15 0.00 -1.33 0.00 0.00 58.87 54.95 1ot4 n SER 87 Cb 0.57 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 63.55 1ot4 n SER 87 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ot4 n SER 88 N 2.22 -6.81 -1.19 -3.46 7.64 -1.26 -4.92 113.62 105.84 1ot4 n SER 88 Ca 0.25 0.99 0.14 0.00 1.01 0.00 0.00 58.87 61.26 1ot4 n SER 88 Cb 0.51 -4.22 -0.05 0.00 -1.01 0.00 0.00 64.21 59.44 1ot4 n SER 88 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ot4 n ASP 89 N -4.22 -6.48 -4.39 6.43 9.92 -1.26 -4.23 116.55 112.33 1ot4 n ASP 89 Ca -0.05 0.72 -0.44 0.00 -0.53 0.00 0.00 54.79 54.49 1ot4 n ASP 89 Cb 0.62 -3.81 0.00 0.00 -0.64 0.00 0.00 41.12 37.28 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1ot4 n THR 90 N -3.65 4.32 -2.74 -3.53 -1.04 -1.26 -4.69 114.28 101.68 1ot4 n THR 90 Ca -0.02 -4.79 -0.07 0.00 -2.04 0.00 0.00 64.05 57.13 1ot4 n THR 90 Cb 0.64 -2.46 0.04 0.00 -1.82 0.00 0.00 70.33 66.73 1ot4 n THR 90 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1ot4 n HIS 91 N 5.07 -3.12 -1.80 -1.42 -0.00 -1.26 -5.15 115.22 107.54 1ot4 n HIS 91 Ca 0.36 -1.54 -0.32 0.00 -0.00 0.00 0.00 57.72 56.22 1ot4 n HIS 91 Cb 0.41 1.49 0.03 0.00 -0.00 0.00 0.00 29.99 31.93 1ot4 n HIS 91 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1ot4 s PRO 92 N 0.69 3.13 -0.13 1.57 0.04 -1.26 -4.45 135.00 134.59 1ot4 s PRO 92 Ca 0.31 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.36 1ot4 s PRO 92 Cb 0.18 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1ot4 s PRO 92 CO -0.19 -0.95 0.04 0.42 0.04 0.00 0.00 177.00 176.37 1ot4 s ILE 93 N -2.79 4.67 0.02 0.56 1.09 0.12 -4.94 121.20 119.93 1ot4 s ILE 93 Ca 0.60 -0.10 -0.00 0.00 -1.10 0.00 0.00 60.65 60.05 1ot4 s ILE 93 Cb -0.15 -3.03 -0.04 0.00 -1.06 0.00 0.00 42.46 38.19 1ot4 s ILE 93 CO 0.47 0.56 0.12 0.42 -0.10 0.00 0.00 174.94 176.40 1ot4 s THR 94 N -0.45 4.91 0.06 2.92 -4.23 -1.26 -0.09 115.64 117.49 1ot4 s THR 94 Ca 0.09 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 59.93 1ot4 s THR 94 Cb -0.12 -3.30 0.06 0.00 1.34 0.00 0.00 72.50 70.48 1ot4 s THR 94 CO 0.02 0.27 0.56 -0.83 -0.54 0.00 0.00 174.62 174.09 1ot4 s GLY 95 N -2.03 -0.48 -0.04 3.99 0.00 0.32 -4.88 107.32 104.19 1ot4 s GLY 95 Ca 0.27 0.66 -0.07 0.00 0.00 0.00 0.00 44.72 45.58 1ot4 s GLY 95 CO 0.19 0.34 0.16 -0.56 0.00 0.00 0.00 173.10 173.23 1ot4 s SER 96 N -2.05 -0.09 -0.28 1.64 0.01 -1.26 0.75 113.70 112.42 1ot4 s SER 96 Ca -0.04 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.34 1ot4 s SER 96 Cb -0.01 0.29 0.08 0.00 0.21 0.00 0.00 66.02 66.60 1ot4 s SER 96 CO -0.03 -0.19 0.01 -0.69 0.41 0.00 0.00 173.24 172.75 1ot4 s VAL 97 N -0.53 1.58 0.02 3.43 1.01 0.17 -4.91 120.40 121.16 1ot4 s VAL 97 Ca -0.06 -1.56 -0.20 0.00 0.00 0.00 0.00 61.98 60.16 1ot4 s VAL 97 Cb -0.04 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 1ot4 s VAL 97 CO 0.01 -0.36 0.59 0.28 0.00 0.00 0.00 175.10 175.62 1ot4 s THR 98 N 1.31 4.86 0.04 3.92 -1.32 -1.26 -0.20 115.64 123.00 1ot4 s THR 98 Ca 0.02 1.23 -0.13 0.00 -1.21 0.00 0.00 61.69 61.60 1ot4 s THR 98 Cb -0.19 -3.92 0.02 0.00 -1.51 0.00 0.00 72.50 66.90 1ot4 s THR 98 CO -0.11 0.46 0.29 0.72 -2.21 0.00 0.00 174.62 173.77 1ot4 s PHE 99 N -0.45 -0.08 0.33 9.09 -0.12 -0.43 0.39 117.98 126.70 1ot4 s PHE 99 Ca 0.30 -0.06 0.07 0.00 -0.05 0.00 0.00 56.93 57.20 1ot4 s PHE 99 Cb -0.19 0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.26 1ot4 s PHE 99 CO 0.18 -0.49 0.36 0.15 -0.05 0.00 0.00 175.22 175.37 1ot4 s LYS 100 N -2.51 2.92 -0.13 1.99 1.02 0.87 -1.59 119.74 122.31 1ot4 s LYS 100 Ca -0.05 -1.15 -0.04 0.00 0.02 0.00 0.00 55.97 54.75 1ot4 s LYS 100 Cb -0.01 -2.63 0.06 0.00 -0.52 0.00 0.00 37.83 34.73 1ot4 s LYS 100 CO -0.03 0.11 0.13 0.08 -0.92 0.00 0.00 175.35 174.72 1ot4 s VAL 101 N -2.23 -0.19 -1.61 3.17 1.01 0.13 -3.51 120.40 117.17 1ot4 s VAL 101 Ca 0.42 0.08 0.13 0.00 0.00 0.00 0.00 61.98 62.60 1ot4 s VAL 101 Cb -0.07 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 35.95 1ot4 s VAL 101 CO 0.28 -0.08 0.91 0.29 0.00 0.00 0.00 175.10 176.50