#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 3.53 0.11 -0.41 0.04 -1.26 -4.98 135.00 132.03 1ot4 s PRO 2 Ca 0.00 0.88 0.01 0.00 0.04 0.00 0.00 61.00 61.93 1ot4 s PRO 2 Cb 0.00 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1ot4 s PRO 2 CO 0.00 -1.63 -0.05 -1.59 0.04 0.00 0.00 177.00 173.78 1ot4 s LYS 3 N 5.03 0.86 1.15 4.56 -2.85 -1.26 -4.46 119.74 122.77 1ot4 s LYS 3 Ca 0.61 -1.36 -0.18 0.00 -1.00 0.00 0.00 55.97 54.04 1ot4 s LYS 3 Cb -0.13 -0.15 0.18 0.00 -2.06 0.00 0.00 37.83 35.67 1ot4 s LYS 3 CO 0.32 -0.06 0.29 1.47 0.10 0.00 0.00 175.35 177.47 1ot4 n LEU 4 N -0.06 -1.82 0.00 2.77 -0.00 -1.26 -4.97 117.00 111.66 1ot4 n LEU 4 Ca -0.11 -0.30 0.00 0.00 -0.00 0.00 0.00 56.01 55.60 1ot4 n LEU 4 Cb 0.61 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1ot4 n LEU 4 CO 0.30 -3.34 0.11 0.52 -0.00 0.00 0.00 177.39 174.99 1ot4 n VAL 5 N -4.68 0.00 -4.11 1.47 0.31 -1.25 -4.94 118.33 105.12 1ot4 n VAL 5 Ca 0.04 0.60 -0.15 0.00 -0.01 0.00 0.00 64.34 64.82 1ot4 n VAL 5 Cb 0.54 -1.36 -0.12 0.00 -0.91 0.00 0.00 33.84 32.00 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 -1.75 1.19 0.21 4.52 0.01 -1.24 -5.05 113.70 111.59 1ot4 s SER 6 Ca 0.00 -0.59 -0.19 0.00 1.31 0.00 0.00 55.95 56.48 1ot4 s SER 6 Cb 0.00 0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.27 1ot4 s SER 6 CO 0.00 -0.16 0.58 -0.94 0.41 0.00 0.00 173.24 173.13 1ot4 s SER 7 N -1.70 -0.31 -0.39 2.44 1.04 -1.26 0.77 113.70 114.29 1ot4 s SER 7 Ca -0.06 -0.45 0.12 0.00 0.48 0.00 0.00 55.95 56.04 1ot4 s SER 7 Cb -0.09 0.62 0.37 0.00 0.10 0.00 0.00 66.02 67.01 1ot4 s SER 7 CO 0.01 -1.11 0.80 0.41 0.98 0.00 0.00 173.24 174.33 1ot4 n THR 8 N -0.38 0.48 0.05 2.02 -1.04 0.17 -4.91 114.28 110.68 1ot4 n THR 8 Ca -0.09 -4.51 -0.03 0.00 -2.04 0.00 0.00 64.05 57.38 1ot4 n THR 8 Cb 0.62 -0.30 -0.01 0.00 -1.82 0.00 0.00 70.33 68.82 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 -0.17 0.00 -2.82 0.13 -1.87 -1.46 132.00 128.80 1ot4 h PRO 9 Ca 0.08 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ot4 h PRO 9 Cb 0.94 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ot4 h PRO 9 CO 0.55 -0.12 0.00 0.00 -0.23 0.00 0.00 178.00 178.21 1ot4 n ALA 10 N -2.40 0.00 -1.38 -0.56 0.00 -1.26 -4.57 120.51 110.35 1ot4 n ALA 10 Ca -0.02 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.89 1ot4 n ALA 10 Cb 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 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 0.62 -4.00 0.00 1.02 -1.26 -1.33 120.64 115.69 1ot4 n GLU 11 Ca 0.00 0.16 -0.30 0.00 -0.02 0.00 0.00 57.16 57.00 1ot4 n GLU 11 Cb 0.00 -2.08 -0.05 0.00 -0.02 0.00 0.00 31.44 29.29 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 6.89 -0.29 3.52 0.62 0.00 0.15 -4.87 105.19 111.21 1ot4 n GLY 12 Ca 0.48 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 46.29 1ot4 n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ot4 s SER 13 N -4.03 5.89 -0.25 1.61 0.15 -0.44 -4.91 113.70 111.73 1ot4 s SER 13 Ca 0.13 -0.36 -0.10 0.00 0.70 0.00 0.00 55.95 56.33 1ot4 s SER 13 Cb -0.07 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 1ot4 s SER 13 CO 0.81 -0.18 0.14 -1.61 1.20 0.00 0.00 173.24 173.60 1ot4 s GLU 14 N 1.70 3.92 0.00 5.44 2.02 -1.26 -1.24 118.70 129.27 1ot4 s GLU 14 Ca 0.06 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1ot4 s GLU 14 Cb -0.17 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.56 1ot4 s GLU 14 CO 0.09 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.72 1ot4 n GLY 15 N 4.63 -1.77 0.00 -1.39 0.00 -1.21 -4.99 105.19 100.45 1ot4 n GLY 15 Ca -0.15 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.42 0.00 -1.32 4.61 0.00 -1.26 0.44 120.51 120.57 1ot4 n ALA 16 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.88 1ot4 n ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -3.00 0.49 -1.03 0.00 0.00 -1.25 -4.74 120.51 110.98 1ot4 n ALA 17 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 1ot4 n ALA 17 Cb 0.00 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.23 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 7.75 -0.60 0.00 0.00 -0.04 -1.26 -4.99 135.00 135.86 1ot4 n PRO 18 Ca 0.51 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1ot4 n PRO 18 Cb 0.05 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 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 -3.09 0.11 -3.38 0.55 0.00 -1.26 -4.89 120.51 108.56 1ot4 n ALA 19 Ca -0.01 -0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 1ot4 n ALA 19 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.85 0.92 0.23 0.00 0.00 -1.26 -4.76 119.74 114.02 1ot4 s LYS 20 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 55.97 55.81 1ot4 s LYS 20 Cb 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 37.83 38.17 1ot4 s LYS 20 CO 0.00 -0.29 0.70 0.42 0.00 0.00 0.00 175.35 176.18 1ot4 s ILE 21 N -1.46 4.65 0.11 3.79 1.09 0.13 -4.88 121.20 124.62 1ot4 s ILE 21 Ca -0.11 1.12 0.09 0.00 -1.10 0.00 0.00 60.65 60.65 1ot4 s ILE 21 Cb -0.02 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.56 1ot4 s ILE 21 CO 0.06 0.12 -0.20 -0.70 -0.10 0.00 0.00 174.94 174.12 1ot4 s GLU 22 N -2.20 1.74 -0.07 2.79 2.12 -0.55 -0.39 118.70 122.14 1ot4 s GLU 22 Ca 0.45 -1.19 -0.11 0.00 0.36 0.00 0.00 54.97 54.48 1ot4 s GLU 22 Cb -0.15 -2.08 0.02 0.00 0.26 0.00 0.00 34.13 32.19 1ot4 s GLU 22 CO 0.20 0.48 0.27 -0.51 -0.54 0.00 0.00 175.26 175.16 1ot4 s LEU 23 N -2.03 0.99 0.09 2.70 1.43 0.71 0.46 118.68 123.03 1ot4 s LEU 23 Ca 0.17 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1ot4 s LEU 23 Cb -0.10 1.00 -0.04 0.00 0.03 0.00 0.00 46.19 47.08 1ot4 s LEU 23 CO 0.09 -0.22 -0.08 -1.00 0.23 0.00 0.00 176.35 175.37 1ot4 s HIS 24 N -0.41 0.95 -0.27 0.29 3.76 0.23 -0.47 115.29 119.37 1ot4 s HIS 24 Ca -0.05 -0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 54.10 1ot4 s HIS 24 Cb -0.03 -0.53 0.15 0.00 1.11 0.00 0.00 32.58 33.27 1ot4 s HIS 24 CO 0.01 -0.07 0.42 -0.06 -0.85 0.00 0.00 174.74 174.20 1ot4 s PHE 25 N -2.87 -1.01 -1.40 1.40 0.40 -1.04 -3.64 117.98 109.81 1ot4 s PHE 25 Ca 0.07 0.81 0.17 0.00 -0.60 0.00 0.00 56.93 57.38 1ot4 s PHE 25 Cb 0.00 0.05 0.83 0.00 0.51 0.00 0.00 43.02 44.41 1ot4 s PHE 25 CO -0.02 -0.83 1.49 0.45 0.70 0.00 0.00 175.22 177.01 1ot4 n SER 26 N 5.37 0.00 -0.77 1.36 2.88 -1.26 -1.88 113.62 119.32 1ot4 n SER 26 Ca -0.02 0.08 0.03 0.00 -1.33 0.00 0.00 58.87 57.63 1ot4 n SER 26 Cb 0.50 -0.30 0.20 0.00 -0.75 0.00 0.00 64.21 63.86 1ot4 n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ot4 n GLU 27 N -1.30 1.73 -1.59 -1.46 1.02 -1.26 -5.08 120.64 112.71 1ot4 n GLU 27 Ca 0.08 -3.15 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 1ot4 n GLU 27 Cb 0.14 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ot4 n ASN 28 N -1.12 -8.56 -2.81 1.62 2.85 -0.79 -4.79 115.26 101.66 1ot4 n ASN 28 Ca 0.24 1.44 -0.30 0.00 -0.11 0.00 0.00 54.58 55.86 1ot4 n ASN 28 Cb 0.83 -4.89 -0.01 0.00 1.24 0.00 0.00 39.78 36.94 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1ot4 n LEU 29 N -1.43 5.20 -4.40 1.20 0.00 -1.26 -4.94 117.00 111.37 1ot4 n LEU 29 Ca 0.00 -5.37 -0.46 0.00 0.00 0.00 0.00 56.01 50.19 1ot4 n LEU 29 Cb 0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 43.42 42.92 1ot4 n LEU 29 CO 0.00 2.21 -0.04 0.52 0.00 0.00 0.00 177.39 180.08 1ot4 n VAL 30 N -0.36 1.66 -2.47 1.96 0.31 -1.26 -4.82 118.33 113.34 1ot4 n VAL 30 Ca 0.38 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.81 1ot4 n VAL 30 Cb 0.47 -0.16 0.01 0.00 -0.91 0.00 0.00 33.84 33.25 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 -0.31 5.77 -0.09 2.52 5.66 -1.26 -4.44 114.28 122.12 1ot4 n THR 31 Ca 0.15 -5.46 -0.23 0.00 -3.05 0.00 0.00 64.05 55.46 1ot4 n THR 31 Cb 0.31 -1.76 -0.12 0.00 -1.55 0.00 0.00 70.33 67.21 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 0.67 0.65 -0.55 1.09 -0.06 -1.26 -4.75 117.38 113.16 1ot4 n GLN 32 Ca 0.50 0.31 -0.00 0.00 -2.00 0.00 0.00 57.00 55.80 1ot4 n GLN 32 Cb 0.26 -1.62 -0.00 0.00 -4.06 0.00 0.00 30.24 24.83 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 -3.83 0.00 -2.50 3.69 3.72 -1.26 -5.12 117.46 112.16 1ot4 n PHE 33 Ca -0.41 -0.03 -0.26 0.00 -0.05 0.00 0.00 57.45 56.70 1ot4 n PHE 33 Cb 0.91 0.09 0.03 0.00 -0.94 0.00 0.00 39.48 39.56 1ot4 n PHE 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ot4 s SER 34 N -0.62 5.64 0.00 4.37 0.15 -1.26 -4.39 113.70 117.59 1ot4 s SER 34 Ca 0.01 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1ot4 s SER 34 Cb 0.01 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1ot4 s SER 34 CO -0.01 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.05 1ot4 n GLY 35 N -2.49 2.69 3.16 9.45 0.00 -0.17 -4.99 105.19 112.84 1ot4 n GLY 35 Ca 0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 0.90 -0.22 4.61 0.00 -1.26 -0.32 121.76 123.47 1ot4 s ALA 36 Ca 0.00 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 1ot4 s ALA 36 Cb 0.00 0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.40 1ot4 s ALA 36 CO 0.00 -0.27 0.54 0.15 0.00 0.00 0.00 175.76 176.18 1ot4 s LYS 37 N -3.86 0.54 -0.04 0.00 3.01 0.13 -4.85 119.74 114.67 1ot4 s LYS 37 Ca 0.12 0.98 -0.14 0.00 -1.01 0.00 0.00 55.97 55.91 1ot4 s LYS 37 Cb 0.06 0.05 -0.05 0.00 -1.01 0.00 0.00 37.83 36.88 1ot4 s LYS 37 CO -0.05 -0.15 0.39 -1.17 0.51 0.00 0.00 175.35 174.87 1ot4 s LEU 38 N 1.49 4.43 -0.03 3.17 2.96 -1.26 -1.23 118.68 128.21 1ot4 s LEU 38 Ca -0.10 0.87 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 1ot4 s LEU 38 Cb -0.07 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.08 1ot4 s LEU 38 CO -0.16 0.27 -0.09 0.68 -1.32 0.00 0.00 176.35 175.74 1ot4 s VAL 39 N -0.74 0.76 -0.76 1.68 -7.23 -1.03 -0.93 120.40 112.14 1ot4 s VAL 39 Ca 0.23 -0.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.85 1ot4 s VAL 39 Cb -0.16 -0.69 0.09 0.00 0.56 0.00 0.00 36.38 36.18 1ot4 s VAL 39 CO 0.11 0.24 1.04 -0.32 -0.31 0.00 0.00 175.10 175.87 1ot4 s MET 40 N 0.29 3.29 -0.90 4.82 1.75 0.90 -1.04 119.30 128.41 1ot4 s MET 40 Ca -0.05 -1.14 0.00 0.00 -1.25 0.00 0.00 55.69 53.26 1ot4 s MET 40 Cb -0.09 -4.51 0.33 0.00 2.84 0.00 0.00 34.83 33.40 1ot4 s MET 40 CO 0.01 -1.83 1.63 -2.37 -0.65 0.00 0.00 175.02 171.81 1ot4 n THR 41 N 5.84 5.13 0.21 10.11 5.66 -0.67 -2.64 114.28 137.93 1ot4 n THR 41 Ca 0.07 -5.73 -0.15 0.00 -3.05 0.00 0.00 64.05 55.20 1ot4 n THR 41 Cb 0.47 -1.48 -0.08 0.00 -1.55 0.00 0.00 70.33 67.69 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 3.79 -1.05 -2.42 1.79 0.00 -1.71 -3.43 119.26 116.23 1ot4 h ALA 42 Ca 0.44 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 1ot4 h ALA 42 Cb 0.35 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 1ot4 h ALA 42 CO 1.11 -1.09 -0.54 -1.64 0.00 0.00 0.00 179.25 177.09 1ot4 s MET 43 N -5.30 0.84 -0.30 0.00 -1.94 -1.26 -4.75 119.30 106.58 1ot4 s MET 43 Ca -0.14 -1.21 -0.29 0.00 -1.71 0.00 0.00 55.69 52.33 1ot4 s MET 43 Cb 0.04 0.28 -0.00 0.00 2.01 0.00 0.00 34.83 37.15 1ot4 s MET 43 CO 0.49 -0.24 1.35 -1.25 -0.01 0.00 0.00 175.02 175.36 1ot4 s PRO 44 N -3.95 3.86 -0.16 2.03 0.04 -1.26 -4.82 135.00 130.74 1ot4 s PRO 44 Ca 0.13 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 1ot4 s PRO 44 Cb 0.06 -3.91 -0.07 0.00 0.04 0.00 0.00 34.50 30.62 1ot4 s PRO 44 CO -0.05 -1.19 -0.13 0.41 0.04 0.00 0.00 177.00 176.07 1ot4 n GLY 45 N 4.44 -0.87 2.48 0.56 0.00 -1.26 -4.79 105.19 105.75 1ot4 n GLY 45 Ca 0.15 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.55 1.14 -3.49 1.61 2.81 -1.26 -4.93 117.12 108.46 1ot4 n MET 46 Ca -0.14 -3.79 -0.19 0.00 -1.81 0.00 0.00 57.70 51.78 1ot4 n MET 46 Cb 0.39 -1.82 0.02 0.00 -0.71 0.00 0.00 33.22 31.10 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 1.92 -1.39 -2.51 0.03 2.13 -1.26 -3.95 120.64 115.61 1ot4 n GLU 47 Ca 0.25 0.89 -0.05 0.00 0.66 0.00 0.00 57.16 58.92 1ot4 n GLU 47 Cb 0.45 -4.28 0.01 0.00 0.27 0.00 0.00 31.44 27.89 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 -2.96 -2.46 -3.34 4.31 -0.00 -1.26 -5.02 115.22 104.48 1ot4 n HIS 48 Ca -0.12 0.98 -0.26 0.00 -0.00 0.00 0.00 57.72 58.32 1ot4 n HIS 48 Cb 0.59 -3.39 -0.09 0.00 -0.00 0.00 0.00 29.99 27.10 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ot4 n SER 49 N -0.61 0.19 -4.29 0.26 7.64 -1.25 -5.00 113.62 110.56 1ot4 n SER 49 Ca 0.07 -2.60 -0.29 0.00 1.01 0.00 0.00 58.87 57.05 1ot4 n SER 49 Cb 0.37 -0.60 0.18 0.00 -1.01 0.00 0.00 64.21 63.15 1ot4 n SER 49 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ot4 s PRO 50 N -0.65 0.27 -0.14 1.43 0.04 -1.26 -4.54 135.00 130.15 1ot4 s PRO 50 Ca 0.34 -0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.34 1ot4 s PRO 50 Cb 0.09 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.88 1ot4 s PRO 50 CO -0.15 -2.72 -0.14 -1.64 0.04 0.00 0.00 177.00 172.38 1ot4 s MET 51 N -5.51 2.28 0.95 4.56 -1.94 -1.08 -4.96 119.30 113.59 1ot4 s MET 51 Ca 0.69 -0.56 -0.11 0.00 -1.71 0.00 0.00 55.69 54.00 1ot4 s MET 51 Cb -0.10 -2.06 0.12 0.00 2.01 0.00 0.00 34.83 34.80 1ot4 s MET 51 CO 0.54 -0.21 0.89 0.00 -0.01 0.00 0.00 175.02 176.23 1ot4 n ALA 52 N 4.67 -1.55 -3.73 3.03 0.00 -1.26 -0.07 120.51 121.60 1ot4 n ALA 52 Ca -0.17 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.36 1ot4 n ALA 52 Cb 0.50 -2.05 -0.17 0.00 0.00 0.00 0.00 19.45 17.74 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 -2.54 1.51 -0.51 0.00 0.11 -0.10 -4.67 120.40 114.19 1ot4 s VAL 53 Ca 0.64 -0.64 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 1ot4 s VAL 53 Cb -0.22 -1.39 -0.12 0.00 -1.53 0.00 0.00 36.38 33.12 1ot4 s VAL 53 CO 0.61 0.44 2.37 0.29 -3.33 0.00 0.00 175.10 175.49 1ot4 n LYS 54 N 4.32 0.92 -4.21 1.54 5.02 -1.26 -4.56 118.16 119.93 1ot4 n LYS 54 Ca -0.18 0.15 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 1ot4 n LYS 54 Cb 0.51 -2.65 -0.08 0.00 -0.02 0.00 0.00 35.03 32.79 1ot4 n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ot4 s ALA 55 N 9.32 1.30 -0.09 7.82 0.00 -1.26 -1.46 121.76 137.38 1ot4 s ALA 55 Ca 1.10 -1.77 -0.18 0.00 0.00 0.00 0.00 51.96 51.12 1ot4 s ALA 55 Cb -0.68 1.38 0.04 0.00 0.00 0.00 0.00 23.12 23.86 1ot4 s ALA 55 CO 0.41 -0.65 0.44 0.00 0.00 0.00 0.00 175.76 175.95 1ot4 s ALA 56 N -3.79 -1.10 -0.11 0.00 0.00 -0.95 -4.82 121.76 110.99 1ot4 s ALA 56 Ca 0.38 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 1ot4 s ALA 56 Cb 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1ot4 s ALA 56 CO 0.18 -0.26 0.45 0.54 0.00 0.00 0.00 175.76 176.67 1ot4 s VAL 57 N -0.57 5.18 -0.04 0.00 0.11 -1.26 -1.41 120.40 122.41 1ot4 s VAL 57 Ca -0.07 0.89 -0.01 0.00 -2.93 0.00 0.00 61.98 59.86 1ot4 s VAL 57 Cb -0.03 -3.78 0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1ot4 s VAL 57 CO 0.03 0.36 0.03 -0.44 -3.33 0.00 0.00 175.10 171.76 1ot4 s SER 58 N 0.40 0.81 0.60 3.54 0.01 0.83 -4.97 113.70 114.93 1ot4 s SER 58 Ca 0.24 0.01 -0.17 0.00 1.31 0.00 0.00 55.95 57.35 1ot4 s SER 58 Cb -0.15 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 1ot4 s SER 58 CO 0.10 -0.18 1.11 -0.83 0.41 0.00 0.00 173.24 173.85 1ot4 s GLY 59 N 1.61 2.33 0.00 3.44 0.00 -1.26 0.26 107.32 113.70 1ot4 s GLY 59 Ca -0.02 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1ot4 s GLY 59 CO -0.03 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.66 1ot4 n GLY 60 N -0.32 1.21 0.18 0.20 0.00 0.12 -4.75 105.19 101.82 1ot4 n GLY 60 Ca 0.11 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 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 0.60 -3.41 -0.02 0.00 -1.97 -3.43 103.07 94.84 1ot4 h GLY 61 Ca 0.00 -0.14 -0.55 0.00 0.00 0.00 0.00 47.33 46.65 1ot4 h GLY 61 CO 0.00 0.09 -0.55 0.99 0.00 0.00 0.00 176.54 177.06 1ot4 s ASP 62 N -5.44 5.48 0.12 0.19 1.01 -1.26 -5.00 116.67 111.76 1ot4 s ASP 62 Ca -0.13 -0.19 0.23 0.00 0.71 0.00 0.00 52.55 53.17 1ot4 s ASP 62 Cb 0.13 -1.41 0.91 0.00 1.01 0.00 0.00 42.92 43.57 1ot4 s ASP 62 CO 0.72 0.03 1.72 -0.81 0.21 0.00 0.00 175.17 177.04 1ot4 n PRO 63 N -0.68 0.11 0.09 8.23 -0.04 -1.26 -2.17 135.00 139.28 1ot4 n PRO 63 Ca -0.08 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1ot4 n PRO 63 Cb 0.56 -1.67 0.23 0.00 -0.04 0.00 0.00 33.50 32.58 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 -4.80 0.54 2.10 -1.93 -3.40 116.57 109.08 1ot4 h LYS 64 Ca 0.00 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.97 1ot4 h LYS 64 Cb 0.46 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.53 1ot4 h LYS 64 CO 0.00 0.00 -0.62 0.99 -2.00 0.00 0.00 179.45 177.82 1ot4 s THR 65 N -3.16 3.99 0.14 0.07 2.01 -0.92 -2.49 115.64 115.27 1ot4 s THR 65 Ca 0.07 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.39 1ot4 s THR 65 Cb 0.12 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1ot4 s THR 65 CO 0.68 0.08 0.30 -0.32 -0.69 0.00 0.00 174.62 174.68 1ot4 s MET 66 N 1.50 3.47 -0.11 4.92 1.75 0.38 0.12 119.30 131.33 1ot4 s MET 66 Ca 0.03 -0.46 -0.03 0.00 -1.25 0.00 0.00 55.69 53.97 1ot4 s MET 66 Cb -0.17 -2.94 0.05 0.00 2.84 0.00 0.00 34.83 34.61 1ot4 s MET 66 CO 0.03 0.50 0.14 0.08 -0.65 0.00 0.00 175.02 175.12 1ot4 s VAL 67 N -1.72 -0.22 -0.20 10.11 1.01 0.14 -0.21 120.40 129.30 1ot4 s VAL 67 Ca 0.36 0.22 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 1ot4 s VAL 67 Cb -0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1ot4 s VAL 67 CO 0.28 0.04 0.69 -0.63 0.00 0.00 0.00 175.10 175.48 1ot4 s ILE 68 N 2.26 4.97 -0.22 2.22 1.09 0.48 -0.12 121.20 131.89 1ot4 s ILE 68 Ca 0.04 1.31 0.00 0.00 -1.10 0.00 0.00 60.65 60.90 1ot4 s ILE 68 Cb -0.13 -4.00 0.06 0.00 -1.06 0.00 0.00 42.46 37.33 1ot4 s ILE 68 CO -0.07 0.07 -0.05 -0.89 -0.10 0.00 0.00 174.94 173.90 1ot4 s THR 69 N 2.07 1.40 0.16 2.92 2.01 -0.50 -0.70 115.64 123.00 1ot4 s THR 69 Ca 0.31 -1.05 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 1ot4 s THR 69 Cb -0.16 -1.65 -0.07 0.00 0.01 0.00 0.00 72.50 70.63 1ot4 s THR 69 CO 0.10 -0.04 1.13 -2.16 -0.69 0.00 0.00 174.62 172.96 1ot4 s PRO 70 N 1.47 4.55 0.42 4.92 0.04 -1.26 -2.23 135.00 142.90 1ot4 s PRO 70 Ca -0.04 1.74 0.29 0.00 0.04 0.00 0.00 61.00 63.03 1ot4 s PRO 70 Cb -0.18 -3.29 1.18 0.00 0.04 0.00 0.00 34.50 32.26 1ot4 s PRO 70 CO -0.07 -0.00 1.86 0.00 0.04 0.00 0.00 177.00 178.83 1ot4 h ALA 71 N 5.42 1.00 -3.88 8.56 0.00 -1.57 -3.43 119.26 125.36 1ot4 h ALA 71 Ca -0.44 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 1ot4 h ALA 71 Cb 1.21 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 1ot4 h ALA 71 CO 0.74 0.00 -0.86 0.45 0.00 0.00 0.00 179.25 179.58 1ot4 s SER 72 N -5.05 3.21 0.12 0.00 0.15 -1.19 -5.06 113.70 105.88 1ot4 s SER 72 Ca 0.03 -0.74 -0.30 0.00 0.70 0.00 0.00 55.95 55.63 1ot4 s SER 72 Cb 0.09 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 64.13 1ot4 s SER 72 CO 0.48 0.16 1.14 -2.16 1.20 0.00 0.00 173.24 174.06 1ot4 s PRO 73 N -2.04 4.52 -0.26 5.44 0.04 -1.26 -4.97 135.00 136.47 1ot4 s PRO 73 Ca 0.13 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 1ot4 s PRO 73 Cb -0.10 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 1ot4 s PRO 73 CO 0.06 -0.08 1.44 -0.51 0.04 0.00 0.00 177.00 177.95 1ot4 s LEU 74 N 0.30 3.90 0.64 -3.56 1.43 -1.26 -5.00 118.68 115.13 1ot4 s LEU 74 Ca 0.54 1.41 -0.07 0.00 -1.03 0.00 0.00 54.13 54.97 1ot4 s LEU 74 Cb -0.29 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.41 1ot4 s LEU 74 CO 0.32 -1.14 0.97 0.42 0.23 0.00 0.00 176.35 177.14 1ot4 s THR 75 N 4.70 3.37 0.14 5.49 -4.23 -1.26 -3.85 115.64 120.00 1ot4 s THR 75 Ca 0.63 0.06 -0.34 0.00 -1.18 0.00 0.00 61.69 60.86 1ot4 s THR 75 Cb -0.21 -3.38 -0.16 0.00 1.34 0.00 0.00 72.50 70.10 1ot4 s THR 75 CO 0.26 -0.42 1.34 0.00 -0.54 0.00 0.00 174.62 175.25 1ot4 n ALA 76 N -2.74 -0.27 0.00 3.99 0.00 -1.26 -4.76 120.51 115.48 1ot4 n ALA 76 Ca 0.06 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1ot4 n ALA 76 Cb 0.58 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 2.48 0.07 3.08 0.00 0.00 0.79 -4.96 105.19 106.64 1ot4 n GLY 77 Ca 0.16 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.17 1.03 0.25 2.61 2.01 -1.26 0.27 115.64 117.38 1ot4 s THR 78 Ca 0.00 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1ot4 s THR 78 Cb 0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1ot4 s THR 78 CO 0.00 0.30 0.19 -0.31 -0.69 0.00 0.00 174.62 174.11 1ot4 s TYR 79 N -0.14 1.41 -0.19 4.92 1.51 -0.67 -1.66 117.35 122.54 1ot4 s TYR 79 Ca 0.02 -1.50 -0.04 0.00 -1.01 0.00 0.00 57.07 54.54 1ot4 s TYR 79 Cb -0.07 -0.63 0.09 0.00 -0.11 0.00 0.00 41.96 41.24 1ot4 s TYR 79 CO 0.00 -0.73 0.29 0.21 -1.11 0.00 0.00 175.55 174.21 1ot4 s LYS 80 N -3.87 0.22 -0.46 -0.62 2.20 -0.20 -1.09 119.74 115.93 1ot4 s LYS 80 Ca 0.40 0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 56.29 1ot4 s LYS 80 Cb 0.05 -0.50 0.03 0.00 -1.51 0.00 0.00 37.83 35.89 1ot4 s LYS 80 CO 0.18 -0.49 0.91 0.08 -0.36 0.00 0.00 175.35 175.67 1ot4 s VAL 81 N 2.43 4.50 -0.24 4.02 1.01 0.11 -2.47 120.40 129.76 1ot4 s VAL 81 Ca 0.06 0.72 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 1ot4 s VAL 81 Cb -0.14 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1ot4 s VAL 81 CO -0.12 -0.81 0.42 -1.81 0.00 0.00 0.00 175.10 172.78 1ot4 s ASP 82 N 2.23 6.38 0.16 3.32 1.11 -0.36 0.07 116.67 129.58 1ot4 s ASP 82 Ca 0.36 0.44 0.11 0.00 0.18 0.00 0.00 52.55 53.64 1ot4 s ASP 82 Cb -0.10 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.61 1ot4 s ASP 82 CO 0.26 -0.16 -0.23 -1.66 1.18 0.00 0.00 175.17 174.56 1ot4 s TRP 83 N 1.80 2.38 -0.07 4.23 1.48 0.24 0.18 118.94 129.18 1ot4 s TRP 83 Ca 0.18 -0.34 -0.03 0.00 -1.06 0.00 0.00 56.10 54.86 1ot4 s TRP 83 Cb -0.15 -1.22 0.04 0.00 -1.16 0.00 0.00 33.47 30.98 1ot4 s TRP 83 CO 0.09 0.43 0.13 1.03 -4.06 0.00 0.00 176.95 174.58 1ot4 s ARG 84 N -2.41 0.00 -0.23 3.25 0.52 0.56 -0.91 118.95 119.73 1ot4 s ARG 84 Ca 0.19 0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 55.87 1ot4 s ARG 84 Cb -0.09 -0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.06 1ot4 s ARG 84 CO 0.09 -0.31 -0.05 0.00 0.02 0.00 0.00 175.30 175.05 1ot4 s ALA 85 N 2.21 2.76 -0.92 2.13 0.00 0.61 -0.99 121.76 127.56 1ot4 s ALA 85 Ca 0.03 -1.29 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1ot4 s ALA 85 Cb -0.12 -1.70 0.24 0.00 0.00 0.00 0.00 23.12 21.54 1ot4 s ALA 85 CO -0.05 -0.59 0.87 0.08 0.00 0.00 0.00 175.76 176.07 1ot4 s VAL 86 N 1.42 5.64 0.26 0.00 1.01 -1.26 0.26 120.40 127.72 1ot4 s VAL 86 Ca 0.04 -2.86 -0.08 0.00 0.00 0.00 0.00 61.98 59.07 1ot4 s VAL 86 Cb -0.15 -4.45 0.36 0.00 0.00 0.00 0.00 36.38 32.14 1ot4 s VAL 86 CO -0.04 -1.08 1.59 -1.28 0.00 0.00 0.00 175.10 174.29 1ot4 h SER 87 N 7.31 -0.69 0.00 3.32 0.87 -1.93 -3.42 113.55 119.02 1ot4 h SER 87 Ca 0.13 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1ot4 h SER 87 Cb 0.97 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1ot4 h SER 87 CO 0.84 -0.28 0.00 -0.24 -0.53 0.00 0.00 176.83 176.62 1ot4 n SER 88 N -5.51 0.00 0.00 6.23 2.88 -1.26 -4.95 113.62 111.01 1ot4 n SER 88 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1ot4 n SER 88 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ot4 n ASP 89 N 0.00 0.00 -3.89 -3.46 -0.08 -1.26 -5.00 116.55 102.85 1ot4 n ASP 89 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 1ot4 n ASP 89 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1ot4 n THR 90 N 0.00 -3.95 -1.54 5.18 -1.04 -1.26 -4.46 114.28 107.21 1ot4 n THR 90 Ca 0.00 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 1ot4 n THR 90 Cb 0.00 -3.14 0.00 0.00 -1.82 0.00 0.00 70.33 65.37 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 -4.42 -4.26 -0.89 -1.42 8.25 -1.26 -4.98 115.22 106.24 1ot4 n HIS 91 Ca -0.20 2.27 -0.06 0.00 -0.26 0.00 0.00 57.72 59.48 1ot4 n HIS 91 Cb 0.63 -3.46 0.04 0.00 1.12 0.00 0.00 29.99 28.33 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 -0.83 -3.87 -0.41 -0.04 -1.26 -4.81 135.00 122.64 1ot4 n PRO 92 Ca 0.00 -0.36 -0.30 0.00 -0.04 0.00 0.00 63.50 62.80 1ot4 n PRO 92 Cb 0.07 -0.28 -0.14 0.00 -0.04 0.00 0.00 33.50 33.10 1ot4 n PRO 92 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ot4 s ILE 93 N -1.46 2.11 0.23 0.52 1.01 0.14 -4.98 121.20 118.76 1ot4 s ILE 93 Ca 0.14 -2.89 -0.13 0.00 0.00 0.00 0.00 60.65 57.77 1ot4 s ILE 93 Cb -0.01 -2.48 -0.08 0.00 0.01 0.00 0.00 42.46 39.90 1ot4 s ILE 93 CO 0.10 -0.80 0.61 0.42 0.00 0.00 0.00 174.94 175.27 1ot4 s THR 94 N 0.12 4.83 -0.09 2.92 -4.23 -1.26 -0.29 115.64 117.64 1ot4 s THR 94 Ca 0.16 0.73 -0.31 0.00 -1.18 0.00 0.00 61.69 61.09 1ot4 s THR 94 Cb -0.24 -3.66 0.12 0.00 1.34 0.00 0.00 72.50 70.05 1ot4 s THR 94 CO -0.02 0.00 1.02 -0.83 -0.54 0.00 0.00 174.62 174.25 1ot4 s GLY 95 N -2.12 -0.37 0.08 3.99 0.00 -0.09 -4.74 107.32 104.06 1ot4 s GLY 95 Ca 0.46 1.36 -0.06 0.00 0.00 0.00 0.00 44.72 46.49 1ot4 s GLY 95 CO 0.20 0.49 0.11 -0.56 0.00 0.00 0.00 173.10 173.34 1ot4 s SER 96 N -2.20 0.26 -0.18 1.64 0.01 -1.26 0.81 113.70 112.78 1ot4 s SER 96 Ca 0.06 -0.81 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 1ot4 s SER 96 Cb -0.01 0.29 0.06 0.00 0.21 0.00 0.00 66.02 66.57 1ot4 s SER 96 CO -0.06 -0.69 0.07 -0.69 0.41 0.00 0.00 173.24 172.28 1ot4 s VAL 97 N -3.90 0.10 -0.07 3.43 1.01 0.11 -4.92 120.40 116.17 1ot4 s VAL 97 Ca 0.07 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1ot4 s VAL 97 Cb 0.06 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1ot4 s VAL 97 CO -0.10 -0.27 0.46 0.28 0.00 0.00 0.00 175.10 175.48 1ot4 s THR 98 N 2.05 5.11 0.05 3.92 -1.32 -1.26 0.07 115.64 124.25 1ot4 s THR 98 Ca 0.01 0.94 -0.02 0.00 -1.21 0.00 0.00 61.69 61.41 1ot4 s THR 98 Cb -0.16 -3.79 -0.03 0.00 -1.51 0.00 0.00 72.50 67.01 1ot4 s THR 98 CO -0.09 0.42 0.01 0.72 -2.21 0.00 0.00 174.62 173.46 1ot4 s PHE 99 N 0.00 0.39 0.24 9.09 -0.12 -0.25 0.33 117.98 127.67 1ot4 s PHE 99 Ca 0.25 -0.84 0.07 0.00 -0.05 0.00 0.00 56.93 56.37 1ot4 s PHE 99 Cb -0.16 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 1ot4 s PHE 99 CO 0.12 -0.36 0.16 0.15 -0.05 0.00 0.00 175.22 175.24 1ot4 s LYS 100 N -3.26 2.83 -0.11 1.99 3.01 -0.38 -1.67 119.74 122.16 1ot4 s LYS 100 Ca 0.01 -1.08 -0.04 0.00 -1.01 0.00 0.00 55.97 53.85 1ot4 s LYS 100 Cb 0.03 -2.51 0.05 0.00 -1.01 0.00 0.00 37.83 34.38 1ot4 s LYS 100 CO -0.08 0.41 0.08 0.08 0.51 0.00 0.00 175.35 176.35 1ot4 s VAL 101 N -2.11 -0.11 -1.47 3.17 1.01 0.14 -3.32 120.40 117.71 1ot4 s VAL 101 Ca 0.32 0.13 0.12 0.00 0.00 0.00 0.00 61.98 62.55 1ot4 s VAL 101 Cb -0.08 -0.37 0.09 0.00 0.00 0.00 0.00 36.38 36.02 1ot4 s VAL 101 CO 0.24 -0.05 0.87 0.29 0.00 0.00 0.00 175.10 176.45