#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot4 n PRO 2 N 0.00 0.00 -3.89 -0.41 -0.04 -1.26 -4.75 135.00 124.64 1ot4 n PRO 2 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1ot4 n PRO 2 Cb 0.00 -0.11 -0.06 0.00 -0.04 0.00 0.00 33.50 33.30 1ot4 n PRO 2 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ot4 s LYS 3 N 0.00 1.24 1.22 0.54 1.02 -1.26 -4.63 119.74 117.87 1ot4 s LYS 3 Ca 0.00 -1.08 -0.17 0.00 0.02 0.00 0.00 55.97 54.73 1ot4 s LYS 3 Cb 0.00 0.42 0.25 0.00 -0.52 0.00 0.00 37.83 37.98 1ot4 s LYS 3 CO 0.00 -0.48 0.59 1.47 -0.92 0.00 0.00 175.35 176.01 1ot4 n LEU 4 N -0.26 -1.62 0.00 3.17 -0.00 -1.26 -4.96 117.00 112.07 1ot4 n LEU 4 Ca -0.08 -0.37 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 1ot4 n LEU 4 Cb 0.63 -1.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 1ot4 n LEU 4 CO 0.22 -3.56 0.29 0.52 -0.00 0.00 0.00 177.39 174.85 1ot4 n VAL 5 N -4.99 0.00 -3.96 1.47 0.31 -1.25 -4.92 118.33 104.99 1ot4 n VAL 5 Ca 0.05 1.08 -0.09 0.00 -0.01 0.00 0.00 64.34 65.36 1ot4 n VAL 5 Cb 0.55 -2.06 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 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 -2.03 0.23 0.22 4.52 0.01 -1.24 -5.06 113.70 110.34 1ot4 s SER 6 Ca 0.00 -0.57 -0.20 0.00 1.31 0.00 0.00 55.95 56.49 1ot4 s SER 6 Cb 0.00 0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.46 1ot4 s SER 6 CO 0.00 -0.47 0.60 -0.94 0.41 0.00 0.00 173.24 172.84 1ot4 s SER 7 N -2.06 -0.32 -0.38 2.44 1.04 -1.26 0.63 113.70 113.78 1ot4 s SER 7 Ca -0.06 -0.43 0.12 0.00 0.48 0.00 0.00 55.95 56.06 1ot4 s SER 7 Cb -0.02 0.63 0.37 0.00 0.10 0.00 0.00 66.02 67.10 1ot4 s SER 7 CO -0.04 -1.14 0.79 0.41 0.98 0.00 0.00 173.24 174.24 1ot4 n THR 8 N -0.39 0.36 0.00 2.02 -1.04 0.15 -4.91 114.28 110.48 1ot4 n THR 8 Ca -0.09 -4.47 -0.00 0.00 -2.04 0.00 0.00 64.05 57.45 1ot4 n THR 8 Cb 0.62 -0.25 -0.00 0.00 -1.82 0.00 0.00 70.33 68.87 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 -0.01 0.00 -2.82 0.13 -1.84 -0.94 132.00 129.50 1ot4 h PRO 9 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ot4 h PRO 9 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1ot4 h PRO 9 CO 0.54 -0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.30 1ot4 n ALA 10 N -2.03 0.00 -1.38 -0.56 0.00 -1.26 -4.47 120.51 110.82 1ot4 n ALA 10 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 1ot4 n ALA 10 Cb 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.33 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 0.12 -4.42 0.00 1.02 -1.26 0.55 120.64 116.64 1ot4 n GLU 11 Ca 0.00 0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 1ot4 n GLU 11 Cb 0.00 -1.64 -0.07 0.00 -0.02 0.00 0.00 31.44 29.72 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 6.97 -0.41 3.55 0.62 0.00 0.18 -4.77 105.19 111.33 1ot4 n GLY 12 Ca 0.58 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.22 5.45 -0.19 1.61 0.15 0.19 -4.75 113.70 112.95 1ot4 s SER 13 Ca 0.80 0.04 -0.05 0.00 0.70 0.00 0.00 55.95 57.44 1ot4 s SER 13 Cb -0.46 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.29 1ot4 s SER 13 CO 0.98 -2.29 -0.01 -1.61 1.20 0.00 0.00 173.24 171.50 1ot4 s GLU 14 N 6.74 3.61 0.00 5.44 2.02 -1.25 0.14 118.70 135.40 1ot4 s GLU 14 Ca 0.61 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1ot4 s GLU 14 Cb -0.11 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1ot4 s GLU 14 CO 0.17 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.90 1ot4 n GLY 15 N 4.13 4.01 3.55 -1.39 0.00 -1.15 -4.95 105.19 109.39 1ot4 n GLY 15 Ca -0.17 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.92 0.19 4.61 0.00 -1.24 -0.62 121.76 122.79 1ot4 s ALA 16 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1ot4 s ALA 16 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 23.12 23.05 1ot4 s ALA 16 CO 0.00 -0.58 0.99 0.00 0.00 0.00 0.00 175.76 176.17 1ot4 s ALA 17 N -2.48 3.32 0.65 0.00 0.00 -1.26 -4.75 121.76 117.23 1ot4 s ALA 17 Ca 0.05 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 1ot4 s ALA 17 Cb -0.01 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1ot4 s ALA 17 CO -0.06 0.02 1.05 -1.25 0.00 0.00 0.00 175.76 175.53 1ot4 s PRO 18 N -0.67 3.14 0.12 0.00 0.04 -1.26 -4.97 135.00 131.39 1ot4 s PRO 18 Ca 0.45 1.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 1ot4 s PRO 18 Cb -0.26 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 1ot4 s PRO 18 CO 0.33 -0.94 1.64 0.00 0.04 0.00 0.00 177.00 178.07 1ot4 h ALA 19 N -0.18 -0.35 -2.63 8.56 0.00 -1.96 -3.45 119.26 119.25 1ot4 h ALA 19 Ca -0.45 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1ot4 h ALA 19 Cb 1.21 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 19.25 1ot4 h ALA 19 CO 0.57 -0.75 -0.02 -1.59 0.00 0.00 0.00 179.25 177.46 1ot4 s LYS 20 N -6.08 1.03 0.18 0.00 0.00 -1.26 -4.79 119.74 108.83 1ot4 s LYS 20 Ca -0.15 -0.44 -0.21 0.00 0.00 0.00 0.00 55.97 55.17 1ot4 s LYS 20 Cb 0.08 0.46 -0.08 0.00 0.00 0.00 0.00 37.83 38.30 1ot4 s LYS 20 CO 0.66 -0.38 0.72 0.42 0.00 0.00 0.00 175.35 176.76 1ot4 s ILE 21 N -2.98 4.53 0.12 3.79 1.09 0.12 -4.84 121.20 123.02 1ot4 s ILE 21 Ca -0.02 1.41 0.09 0.00 -1.10 0.00 0.00 60.65 61.03 1ot4 s ILE 21 Cb 0.00 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1ot4 s ILE 21 CO -0.06 0.36 -0.19 -1.61 -0.10 0.00 0.00 174.94 173.34 1ot4 s GLU 22 N -1.59 1.74 -0.06 2.79 2.02 -0.36 0.12 118.70 123.36 1ot4 s GLU 22 Ca 0.39 -1.20 -0.11 0.00 0.02 0.00 0.00 54.97 54.07 1ot4 s GLU 22 Cb -0.19 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 31.97 1ot4 s GLU 22 CO 0.22 0.48 0.26 -0.51 0.02 0.00 0.00 175.26 175.73 1ot4 s LEU 23 N -2.15 1.03 0.09 1.80 1.43 0.13 0.34 118.68 121.36 1ot4 s LEU 23 Ca 0.18 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1ot4 s LEU 23 Cb -0.10 0.98 -0.04 0.00 0.03 0.00 0.00 46.19 47.06 1ot4 s LEU 23 CO 0.10 -0.23 -0.08 -1.00 0.23 0.00 0.00 176.35 175.36 1ot4 s HIS 24 N -0.50 0.93 -0.27 0.29 3.76 0.20 0.36 115.29 120.06 1ot4 s HIS 24 Ca -0.06 -0.78 -0.01 0.00 -0.15 0.00 0.00 55.06 54.06 1ot4 s HIS 24 Cb -0.04 -0.52 0.16 0.00 1.11 0.00 0.00 32.58 33.29 1ot4 s HIS 24 CO 0.02 -0.08 0.48 -0.06 -0.85 0.00 0.00 174.74 174.24 1ot4 s PHE 25 N -2.99 -1.22 -1.32 1.40 0.08 -0.91 -3.66 117.98 109.36 1ot4 s PHE 25 Ca 0.07 1.13 0.15 0.00 0.12 0.00 0.00 56.93 58.40 1ot4 s PHE 25 Cb 0.01 0.23 0.70 0.00 -0.57 0.00 0.00 43.02 43.39 1ot4 s PHE 25 CO -0.02 -0.84 1.42 0.45 -0.10 0.00 0.00 175.22 176.12 1ot4 n SER 26 N 5.39 0.00 -2.98 1.36 2.88 -1.26 -3.11 113.62 115.90 1ot4 n SER 26 Ca -0.02 0.19 -0.28 0.00 -1.33 0.00 0.00 58.87 57.43 1ot4 n SER 26 Cb 0.51 -0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1ot4 n SER 26 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ot4 n GLU 27 N -1.34 3.42 -1.48 -1.46 0.28 -1.26 -5.07 120.64 113.73 1ot4 n GLU 27 Ca 0.06 -4.84 -0.57 0.00 -0.16 0.00 0.00 57.16 51.65 1ot4 n GLU 27 Cb 0.13 -2.26 -0.07 0.00 1.43 0.00 0.00 31.44 30.67 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ot4 n ASN 28 N -0.24 -0.24 -0.80 -1.84 5.15 -1.18 -4.82 115.26 111.28 1ot4 n ASN 28 Ca 0.32 1.15 -0.02 0.00 -0.60 0.00 0.00 54.58 55.43 1ot4 n ASN 28 Cb 0.39 -0.93 -0.03 0.00 -0.53 0.00 0.00 39.78 38.68 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1ot4 n LEU 29 N 1.59 -0.31 -1.28 1.20 7.94 -1.26 -5.05 117.00 119.84 1ot4 n LEU 29 Ca 0.20 -1.51 0.15 0.00 -1.11 0.00 0.00 56.01 53.74 1ot4 n LEU 29 Cb 0.11 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.00 1ot4 n LEU 29 CO 0.60 1.08 -0.43 0.52 -1.11 0.00 0.00 177.39 178.05 1ot4 n VAL 30 N 0.05 -0.31 -1.05 1.96 0.31 -1.26 -3.86 118.33 114.17 1ot4 n VAL 30 Ca -0.11 0.55 -0.15 0.00 -0.01 0.00 0.00 64.34 64.63 1ot4 n VAL 30 Cb 0.66 -0.95 -0.15 0.00 -0.91 0.00 0.00 33.84 32.49 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 -3.97 3.11 -1.42 2.52 5.66 -1.26 -4.89 114.28 114.02 1ot4 n THR 31 Ca -0.05 -1.65 -0.28 0.00 -3.05 0.00 0.00 64.05 59.02 1ot4 n THR 31 Cb 0.62 -2.02 -0.19 0.00 -1.55 0.00 0.00 70.33 67.19 1ot4 n THR 31 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 n GLN 32 N 2.50 0.00 -2.23 1.09 3.00 -1.25 -0.15 117.38 120.34 1ot4 n GLN 32 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1ot4 n GLN 32 Cb 0.85 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.95 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1ot4 n PHE 33 N 7.13 -1.80 -3.53 1.08 3.72 -1.26 -4.25 117.46 118.55 1ot4 n PHE 33 Ca 0.64 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.81 1ot4 n PHE 33 Cb 0.09 -0.96 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 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 -1.80 4.92 0.00 4.37 1.04 0.79 -4.88 113.70 118.15 1ot4 s SER 34 Ca 0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1ot4 s SER 34 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1ot4 s SER 34 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1ot4 n GLY 35 N -1.83 -0.60 3.37 7.32 0.00 -0.53 -4.91 105.19 108.01 1ot4 n GLY 35 Ca 0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 0.92 -0.20 4.61 0.00 -1.26 0.17 121.76 125.00 1ot4 s ALA 36 Ca 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 51.96 50.30 1ot4 s ALA 36 Cb 0.00 1.28 0.07 0.00 0.00 0.00 0.00 23.12 24.47 1ot4 s ALA 36 CO 0.00 -0.71 0.48 0.15 0.00 0.00 0.00 175.76 175.67 1ot4 s LYS 37 N -3.68 0.44 -0.14 0.00 1.02 0.17 -4.95 119.74 112.60 1ot4 s LYS 37 Ca 0.34 0.96 -0.14 0.00 0.02 0.00 0.00 55.97 57.15 1ot4 s LYS 37 Cb 0.03 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.43 1ot4 s LYS 37 CO 0.17 -0.18 0.33 -1.17 -0.92 0.00 0.00 175.35 173.58 1ot4 s LEU 38 N 1.82 4.28 -0.03 3.17 2.96 -1.26 -1.13 118.68 128.49 1ot4 s LEU 38 Ca -0.08 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.48 1ot4 s LEU 38 Cb -0.09 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 1ot4 s LEU 38 CO -0.14 0.11 -0.16 0.68 -1.32 0.00 0.00 176.35 175.52 1ot4 s VAL 39 N 0.30 1.27 -0.76 1.68 -7.23 -0.89 -1.14 120.40 113.63 1ot4 s VAL 39 Ca 0.19 -0.66 -0.18 0.00 -1.81 0.00 0.00 61.98 59.52 1ot4 s VAL 39 Cb -0.14 -1.08 0.13 0.00 0.56 0.00 0.00 36.38 35.85 1ot4 s VAL 39 CO 0.06 0.37 0.89 -0.32 -0.31 0.00 0.00 175.10 175.79 1ot4 s MET 40 N -0.14 3.35 -1.06 4.82 1.75 0.40 -0.72 119.30 127.70 1ot4 s MET 40 Ca 0.01 -1.63 -0.02 0.00 -1.25 0.00 0.00 55.69 52.80 1ot4 s MET 40 Cb -0.09 -4.52 0.30 0.00 2.84 0.00 0.00 34.83 33.36 1ot4 s MET 40 CO 0.01 -1.61 1.91 -2.37 -0.65 0.00 0.00 175.02 172.30 1ot4 n THR 41 N 5.28 5.95 -1.14 10.11 5.66 -0.19 -2.60 114.28 137.35 1ot4 n THR 41 Ca 0.07 -5.73 0.00 0.00 -3.05 0.00 0.00 64.05 55.34 1ot4 n THR 41 Cb 0.46 -1.61 0.00 0.00 -1.55 0.00 0.00 70.33 67.63 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 0.15 0.00 -1.51 1.79 0.00 -0.90 -4.41 120.51 115.61 1ot4 n ALA 42 Ca 0.49 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.49 1ot4 n ALA 42 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.70 1ot4 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ot4 n MET 43 N -0.73 0.87 0.00 0.00 0.00 -1.26 -4.62 117.12 111.38 1ot4 n MET 43 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 57.70 58.01 1ot4 n MET 43 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 31.60 1ot4 n MET 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1ot4 n PRO 44 N 0.65 0.00 0.00 3.17 -0.04 -1.26 -4.52 135.00 133.00 1ot4 n PRO 44 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ot4 n PRO 44 Cb 0.34 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 1ot4 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ot4 n GLY 45 N 2.18 2.41 2.36 0.55 0.00 -1.26 -4.47 105.19 106.97 1ot4 n GLY 45 Ca 0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.75 -3.68 1.61 2.81 -1.26 -5.00 117.12 112.35 1ot4 n MET 46 Ca 0.00 -2.79 -0.24 0.00 -1.81 0.00 0.00 57.70 52.86 1ot4 n MET 46 Cb 0.00 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 1.39 -1.46 -2.49 0.03 2.13 -1.26 -4.88 120.64 114.09 1ot4 n GLU 47 Ca 0.18 0.74 -0.04 0.00 0.66 0.00 0.00 57.16 58.70 1ot4 n GLU 47 Cb 0.57 -2.03 0.06 0.00 0.27 0.00 0.00 31.44 30.31 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 -2.28 -1.34 -0.07 4.31 -0.00 -1.26 -5.01 115.22 109.57 1ot4 n HIS 48 Ca -0.29 -1.19 -0.08 0.00 0.46 0.00 0.00 57.72 56.62 1ot4 n HIS 48 Cb 0.65 1.30 -0.05 0.00 -0.12 0.00 0.00 29.99 31.76 1ot4 n HIS 48 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1ot4 h SER 49 N 1.21 0.00 -3.11 0.26 0.87 -1.81 -3.45 113.55 107.52 1ot4 h SER 49 Ca -0.37 -0.34 -0.57 0.00 -1.23 0.00 0.00 61.79 59.28 1ot4 h SER 49 Cb 1.23 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.15 1ot4 h SER 49 CO -0.13 0.84 1.00 -2.16 -0.53 0.00 0.00 176.83 175.85 1ot4 s PRO 50 N -2.00 3.86 -0.03 2.24 0.04 -1.26 -3.40 135.00 134.45 1ot4 s PRO 50 Ca -0.13 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 1ot4 s PRO 50 Cb 0.01 -3.91 0.03 0.00 0.04 0.00 0.00 34.50 30.66 1ot4 s PRO 50 CO 0.32 -1.19 0.06 -1.64 0.04 0.00 0.00 177.00 174.58 1ot4 s MET 51 N 4.32 -0.01 0.35 4.56 -1.94 -1.07 -4.98 119.30 120.52 1ot4 s MET 51 Ca 0.59 0.25 -0.26 0.00 -1.71 0.00 0.00 55.69 54.55 1ot4 s MET 51 Cb -0.17 -0.25 -0.09 0.00 2.01 0.00 0.00 34.83 36.33 1ot4 s MET 51 CO 0.25 -0.18 1.07 0.00 -0.01 0.00 0.00 175.02 176.15 1ot4 s ALA 52 N 1.17 3.22 0.36 3.03 0.00 -1.26 0.15 121.76 128.42 1ot4 s ALA 52 Ca -0.08 0.79 0.08 0.00 0.00 0.00 0.00 51.96 52.75 1ot4 s ALA 52 Cb -0.13 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1ot4 s ALA 52 CO -0.04 -0.20 0.22 0.54 0.00 0.00 0.00 175.76 176.28 1ot4 s VAL 53 N -1.44 3.03 -0.74 0.00 0.11 -0.29 -4.81 120.40 116.26 1ot4 s VAL 53 Ca 0.52 -1.56 -0.14 0.00 -2.93 0.00 0.00 61.98 57.87 1ot4 s VAL 53 Cb -0.27 -3.04 0.19 0.00 -1.53 0.00 0.00 36.38 31.74 1ot4 s VAL 53 CO 0.34 -0.14 0.68 -0.54 -3.33 0.00 0.00 175.10 172.11 1ot4 s LYS 54 N -3.93 3.40 0.46 1.54 1.02 -1.26 -4.73 119.74 116.24 1ot4 s LYS 54 Ca 0.40 -2.25 0.03 0.00 0.02 0.00 0.00 55.97 54.18 1ot4 s LYS 54 Cb -0.03 -4.37 -0.04 0.00 -0.52 0.00 0.00 37.83 32.87 1ot4 s LYS 54 CO 0.24 -1.30 0.02 0.00 -0.92 0.00 0.00 175.35 173.40 1ot4 s ALA 55 N 0.57 3.60 0.07 5.17 0.00 -1.26 -2.71 121.76 127.20 1ot4 s ALA 55 Ca 0.14 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1ot4 s ALA 55 Cb -0.16 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1ot4 s ALA 55 CO -0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 175.76 175.49 1ot4 s ALA 56 N -2.88 0.98 -0.17 0.00 0.00 -0.62 -4.83 121.76 114.23 1ot4 s ALA 56 Ca 0.18 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 1ot4 s ALA 56 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1ot4 s ALA 56 CO 0.09 0.08 -0.14 0.14 0.00 0.00 0.00 175.76 175.94 1ot4 s VAL 57 N -1.48 2.73 0.37 0.00 -7.23 -1.26 -0.91 120.40 112.61 1ot4 s VAL 57 Ca -0.03 -0.73 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 1ot4 s VAL 57 Cb -0.09 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1ot4 s VAL 57 CO 0.01 0.50 0.13 -0.44 -0.31 0.00 0.00 175.10 174.99 1ot4 s SER 58 N 1.03 2.39 0.18 4.85 0.01 0.04 -5.01 113.70 117.18 1ot4 s SER 58 Ca -0.01 -1.59 0.08 0.00 1.31 0.00 0.00 55.95 55.73 1ot4 s SER 58 Cb -0.15 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 1ot4 s SER 58 CO -0.03 -0.86 -0.03 -0.83 0.41 0.00 0.00 173.24 171.89 1ot4 s GLY 59 N -3.52 1.73 -1.23 3.44 0.00 -1.26 0.56 107.32 107.04 1ot4 s GLY 59 Ca 0.29 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.57 1ot4 s GLY 59 CO 0.16 -1.42 2.19 0.61 0.00 0.00 0.00 173.10 174.64 1ot4 n GLY 60 N -0.07 5.50 2.81 0.20 0.00 0.12 -4.78 105.19 108.98 1ot4 n GLY 60 Ca -0.10 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 1.18 2.04 3.91 -0.02 0.00 -1.26 -4.81 105.19 106.22 1ot4 n GLY 61 Ca 0.57 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 6.44 0.00 1.61 1.11 -1.26 -4.97 116.67 119.60 1ot4 s ASP 62 Ca 0.00 0.63 0.24 0.00 0.18 0.00 0.00 52.55 53.60 1ot4 s ASP 62 Cb 0.00 -2.11 1.39 0.00 1.07 0.00 0.00 42.92 43.27 1ot4 s ASP 62 CO 0.00 -0.14 1.79 -0.81 1.18 0.00 0.00 175.17 177.19 1ot4 n PRO 63 N -0.80 0.68 -0.00 8.23 -0.04 -1.26 -2.60 135.00 139.21 1ot4 n PRO 63 Ca -0.02 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.27 1ot4 n PRO 63 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.05 0.73 -3.45 0.54 2.85 -1.26 -4.19 118.16 112.33 1ot4 n LYS 64 Ca 0.17 0.27 -0.38 0.00 -1.05 0.00 0.00 58.31 57.32 1ot4 n LYS 64 Cb 0.10 -1.73 -0.08 0.00 -0.65 0.00 0.00 35.03 32.67 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 -2.57 5.23 0.30 0.58 2.01 -1.07 -2.15 115.64 117.97 1ot4 s THR 65 Ca -0.18 0.56 0.08 0.00 0.31 0.00 0.00 61.69 62.46 1ot4 s THR 65 Cb 0.07 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1ot4 s THR 65 CO 0.78 0.25 0.15 -0.04 -0.69 0.00 0.00 174.62 175.07 1ot4 s MET 66 N 1.45 2.57 -0.24 4.92 -1.94 0.16 0.13 119.30 126.34 1ot4 s MET 66 Ca 0.16 -1.34 -0.09 0.00 -1.71 0.00 0.00 55.69 52.70 1ot4 s MET 66 Cb -0.15 -2.33 0.10 0.00 2.01 0.00 0.00 34.83 34.46 1ot4 s MET 66 CO 0.08 0.24 0.54 0.54 -0.01 0.00 0.00 175.02 176.40 1ot4 s VAL 67 N -2.30 -0.63 -0.20 -6.03 0.11 0.19 0.22 120.40 111.75 1ot4 s VAL 67 Ca 0.36 0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 59.34 1ot4 s VAL 67 Cb -0.05 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1ot4 s VAL 67 CO 0.23 0.03 0.30 -0.63 -3.33 0.00 0.00 175.10 171.71 1ot4 s ILE 68 N 2.46 5.27 -0.19 7.04 1.09 0.12 -0.78 121.20 136.21 1ot4 s ILE 68 Ca -0.05 0.51 -0.01 0.00 -1.10 0.00 0.00 60.65 60.00 1ot4 s ILE 68 Cb -0.11 -3.64 0.05 0.00 -1.06 0.00 0.00 42.46 37.71 1ot4 s ILE 68 CO -0.16 0.31 -0.02 -0.89 -0.10 0.00 0.00 174.94 174.08 1ot4 s THR 69 N 1.05 1.01 0.18 2.92 2.01 -0.09 0.10 115.64 122.82 1ot4 s THR 69 Ca 0.15 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1ot4 s THR 69 Cb -0.14 -1.33 -0.08 0.00 0.01 0.00 0.00 72.50 70.97 1ot4 s THR 69 CO 0.06 -0.05 1.12 -2.16 -0.69 0.00 0.00 174.62 172.90 1ot4 s PRO 70 N 1.65 4.57 0.31 4.92 0.04 -1.26 -1.59 135.00 143.64 1ot4 s PRO 70 Ca -0.02 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.83 1ot4 s PRO 70 Cb -0.17 -3.27 0.51 0.00 0.04 0.00 0.00 34.50 31.60 1ot4 s PRO 70 CO -0.07 0.04 1.74 0.00 0.04 0.00 0.00 177.00 178.75 1ot4 h ALA 71 N 5.16 1.18 -2.53 8.56 0.00 -1.83 -3.44 119.26 126.36 1ot4 h ALA 71 Ca -0.44 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 53.57 1ot4 h ALA 71 Cb 1.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1ot4 h ALA 71 CO 0.73 0.54 -0.47 -1.12 0.00 0.00 0.00 179.25 178.93 1ot4 s SER 72 N -6.87 6.29 0.26 0.00 0.01 -1.25 -5.08 113.70 107.07 1ot4 s SER 72 Ca -0.05 0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.06 1ot4 s SER 72 Cb 0.14 -1.88 -0.09 0.00 0.21 0.00 0.00 66.02 64.39 1ot4 s SER 72 CO 0.77 0.04 1.09 -2.16 0.41 0.00 0.00 173.24 173.39 1ot4 s PRO 73 N -3.30 4.65 -0.33 12.44 0.04 -1.26 -5.00 135.00 142.25 1ot4 s PRO 73 Ca 0.34 1.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 1ot4 s PRO 73 Cb -0.11 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1ot4 s PRO 73 CO 0.28 0.21 0.86 -0.51 0.04 0.00 0.00 177.00 177.89 1ot4 s LEU 74 N -1.25 4.05 0.68 -3.56 1.43 -1.26 -5.04 118.68 113.74 1ot4 s LEU 74 Ca 0.45 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1ot4 s LEU 74 Cb -0.31 -3.18 0.09 0.00 0.03 0.00 0.00 46.19 42.82 1ot4 s LEU 74 CO 0.39 -0.72 0.94 0.42 0.23 0.00 0.00 176.35 177.62 1ot4 s THR 75 N 3.18 2.30 0.95 5.49 -4.23 -1.26 -4.71 115.64 117.36 1ot4 s THR 75 Ca 0.35 -0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 60.21 1ot4 s THR 75 Cb -0.13 -2.75 0.15 0.00 1.34 0.00 0.00 72.50 71.11 1ot4 s THR 75 CO 0.14 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.30 1ot4 n ALA 76 N -2.73 -1.19 0.00 3.99 0.00 -1.26 -4.76 120.51 114.56 1ot4 n ALA 76 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1ot4 n ALA 76 Cb 0.60 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 0.45 0.27 3.02 0.00 0.00 -0.27 -4.89 105.19 103.76 1ot4 n GLY 77 Ca 0.11 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.46 0.65 0.04 2.61 2.01 -1.26 -0.77 115.64 117.44 1ot4 s THR 78 Ca 0.00 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 1ot4 s THR 78 Cb 0.00 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 1ot4 s THR 78 CO 0.00 0.09 0.11 -0.31 -0.69 0.00 0.00 174.62 173.82 1ot4 s TYR 79 N -0.39 0.18 -0.15 4.92 1.51 -0.53 -1.02 117.35 121.87 1ot4 s TYR 79 Ca 0.01 -0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1ot4 s TYR 79 Cb -0.04 -0.13 0.05 0.00 -0.11 0.00 0.00 41.96 41.73 1ot4 s TYR 79 CO -0.00 -0.38 0.00 0.21 -1.11 0.00 0.00 175.55 174.28 1ot4 s LYS 80 N -2.61 0.83 -0.56 -0.62 2.36 0.11 -1.05 119.74 118.20 1ot4 s LYS 80 Ca -0.05 -0.29 -0.20 0.00 -2.55 0.00 0.00 55.97 52.89 1ot4 s LYS 80 Cb -0.01 -1.74 0.07 0.00 -1.05 0.00 0.00 37.83 35.10 1ot4 s LYS 80 CO -0.04 -0.49 0.73 0.08 1.55 0.00 0.00 175.35 177.17 1ot4 s VAL 81 N 1.84 4.74 -0.30 4.02 1.01 -0.50 -2.09 120.40 129.11 1ot4 s VAL 81 Ca 0.01 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 1ot4 s VAL 81 Cb -0.15 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 1ot4 s VAL 81 CO -0.07 -1.02 0.57 -1.81 0.00 0.00 0.00 175.10 172.77 1ot4 s ASP 82 N 3.13 6.44 0.17 3.32 1.11 -0.28 0.29 116.67 130.84 1ot4 s ASP 82 Ca 0.16 0.37 0.09 0.00 0.18 0.00 0.00 52.55 53.35 1ot4 s ASP 82 Cb -0.20 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 1ot4 s ASP 82 CO 0.11 -0.42 -0.12 -1.66 1.18 0.00 0.00 175.17 174.26 1ot4 s TRP 83 N 2.47 2.59 -0.14 4.23 1.48 0.36 0.41 118.94 130.34 1ot4 s TRP 83 Ca 0.23 -0.24 -0.06 0.00 -1.06 0.00 0.00 56.10 54.96 1ot4 s TRP 83 Cb -0.15 -1.29 0.06 0.00 -1.16 0.00 0.00 33.47 30.93 1ot4 s TRP 83 CO 0.11 0.49 0.32 1.03 -4.06 0.00 0.00 176.95 174.84 1ot4 s ARG 84 N -2.67 0.25 -0.26 3.25 3.00 0.13 0.32 118.95 122.96 1ot4 s ARG 84 Ca 0.23 0.74 -0.02 0.00 0.00 0.00 0.00 55.73 56.68 1ot4 s ARG 84 Cb -0.09 -0.00 0.03 0.00 0.00 0.00 0.00 34.95 34.89 1ot4 s ARG 84 CO 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 175.30 175.18 1ot4 s ALA 85 N 1.84 2.73 0.34 2.13 0.00 0.14 -1.46 121.76 127.49 1ot4 s ALA 85 Ca -0.05 -1.54 -0.15 0.00 0.00 0.00 0.00 51.96 50.22 1ot4 s ALA 85 Cb -0.11 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.17 1ot4 s ALA 85 CO -0.10 -0.94 0.76 0.08 0.00 0.00 0.00 175.76 175.56 1ot4 s VAL 86 N 1.30 4.67 0.27 0.00 1.01 -1.26 -0.43 120.40 125.96 1ot4 s VAL 86 Ca -0.01 0.95 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 1ot4 s VAL 86 Cb -0.17 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 1ot4 s VAL 86 CO -0.04 -0.25 0.45 -0.55 0.00 0.00 0.00 175.10 174.72 1ot4 s SER 87 N -2.39 0.14 1.00 3.32 0.15 -1.26 -4.57 113.70 110.09 1ot4 s SER 87 Ca 0.54 -1.10 -0.18 0.00 0.70 0.00 0.00 55.95 55.92 1ot4 s SER 87 Cb -0.10 0.59 -0.08 0.00 -1.71 0.00 0.00 66.02 64.72 1ot4 s SER 87 CO 0.19 -1.16 -0.51 -1.20 1.20 0.00 0.00 173.24 171.76 1ot4 n SER 88 N -0.61 -4.17 -1.32 5.45 7.64 -1.26 -4.67 113.62 114.68 1ot4 n SER 88 Ca -0.01 0.17 0.17 0.00 1.01 0.00 0.00 58.87 60.21 1ot4 n SER 88 Cb 0.62 -0.86 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.68 -7.90 -3.84 6.43 8.00 -1.26 -4.90 116.55 114.77 1ot4 n ASP 89 Ca 0.01 0.83 -0.29 0.00 0.71 0.00 0.00 54.79 56.05 1ot4 n ASP 89 Cb 0.59 -4.19 0.20 0.00 -0.02 0.00 0.00 41.12 37.70 1ot4 n ASP 89 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1ot4 n THR 90 N -4.10 0.00 -2.85 -3.53 5.66 -1.26 -4.74 114.28 103.47 1ot4 n THR 90 Ca -0.02 -0.94 -0.05 0.00 -3.05 0.00 0.00 64.05 59.99 1ot4 n THR 90 Cb 0.61 -1.52 0.01 0.00 -1.55 0.00 0.00 70.33 67.88 1ot4 n THR 90 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1ot4 n HIS 91 N -3.81 -3.48 -0.97 1.09 8.25 -1.26 -5.01 115.22 110.03 1ot4 n HIS 91 Ca 0.16 1.48 -0.09 0.00 -0.26 0.00 0.00 57.72 59.02 1ot4 n HIS 91 Cb 0.56 -3.72 0.07 0.00 1.12 0.00 0.00 29.99 28.02 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 0.32 -1.03 -4.19 -0.41 -0.04 -1.26 -4.67 135.00 123.72 1ot4 n PRO 92 Ca 0.04 -0.57 -0.35 0.00 -0.04 0.00 0.00 63.50 62.58 1ot4 n PRO 92 Cb 0.25 -0.45 -0.09 0.00 -0.04 0.00 0.00 33.50 33.16 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 -1.74 4.60 0.02 0.52 1.01 0.43 -4.55 121.20 121.50 1ot4 s ILE 93 Ca 0.22 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1ot4 s ILE 93 Cb -0.01 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1ot4 s ILE 93 CO 0.16 0.56 -0.04 0.42 0.00 0.00 0.00 174.94 176.04 1ot4 s THR 94 N -0.44 0.22 0.08 2.92 -4.23 -1.26 0.28 115.64 113.22 1ot4 s THR 94 Ca 0.09 -0.82 -0.26 0.00 -1.18 0.00 0.00 61.69 59.52 1ot4 s THR 94 Cb -0.12 -0.33 0.08 0.00 1.34 0.00 0.00 72.50 73.48 1ot4 s THR 94 CO 0.02 -0.38 0.82 -0.83 -0.54 0.00 0.00 174.62 173.71 1ot4 s GLY 95 N -1.26 -0.44 0.02 3.99 0.00 0.15 -4.80 107.32 104.98 1ot4 s GLY 95 Ca -0.12 0.64 -0.00 0.00 0.00 0.00 0.00 44.72 45.24 1ot4 s GLY 95 CO -0.00 0.21 -0.03 -0.56 0.00 0.00 0.00 173.10 172.71 1ot4 s SER 96 N -2.66 0.23 -0.32 1.64 0.01 -1.26 0.14 113.70 111.48 1ot4 s SER 96 Ca 0.06 -0.49 -0.00 0.00 1.31 0.00 0.00 55.95 56.83 1ot4 s SER 96 Cb -0.01 0.10 0.10 0.00 0.21 0.00 0.00 66.02 66.42 1ot4 s SER 96 CO -0.07 -0.29 0.10 -0.69 0.41 0.00 0.00 173.24 172.69 1ot4 s VAL 97 N -1.43 1.06 0.27 3.43 1.01 0.15 -4.94 120.40 119.94 1ot4 s VAL 97 Ca -0.16 -1.57 -0.20 0.00 0.00 0.00 0.00 61.98 60.06 1ot4 s VAL 97 Cb -0.10 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 1ot4 s VAL 97 CO -0.01 -0.68 0.77 0.28 0.00 0.00 0.00 175.10 175.46 1ot4 s THR 98 N 1.47 4.54 0.01 3.92 -1.32 -1.26 -1.41 115.64 121.59 1ot4 s THR 98 Ca 0.10 1.29 -0.25 0.00 -1.21 0.00 0.00 61.69 61.63 1ot4 s THR 98 Cb -0.18 -3.81 0.06 0.00 -1.51 0.00 0.00 72.50 67.05 1ot4 s THR 98 CO -0.22 0.09 0.56 0.72 -2.21 0.00 0.00 174.62 173.56 1ot4 s PHE 99 N -1.66 -0.48 0.28 9.09 -0.71 -0.22 0.48 117.98 124.75 1ot4 s PHE 99 Ca 0.47 0.67 0.08 0.00 -1.04 0.00 0.00 56.93 57.12 1ot4 s PHE 99 Cb -0.15 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 1ot4 s PHE 99 CO 0.20 -0.61 0.12 0.15 -1.34 0.00 0.00 175.22 173.74 1ot4 s LYS 100 N -1.94 2.59 -0.05 1.99 3.01 0.12 -1.45 119.74 124.01 1ot4 s LYS 100 Ca -0.08 -1.28 0.01 0.00 -1.01 0.00 0.00 55.97 53.60 1ot4 s LYS 100 Cb -0.01 -2.35 0.02 0.00 -1.01 0.00 0.00 37.83 34.48 1ot4 s LYS 100 CO 0.03 0.31 -0.04 0.08 0.51 0.00 0.00 175.35 176.24 1ot4 s VAL 101 N -2.26 0.54 -1.55 3.17 1.01 0.05 -2.94 120.40 118.41 1ot4 s VAL 101 Ca 0.34 -0.09 0.12 0.00 0.00 0.00 0.00 61.98 62.36 1ot4 s VAL 101 Cb -0.06 -0.59 0.10 0.00 0.00 0.00 0.00 36.38 35.83 1ot4 s VAL 101 CO 0.23 0.24 0.89 0.29 0.00 0.00 0.00 175.10 176.75