#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 4.23 0.35 -1.40 0.04 -1.26 -5.06 135.00 131.89 1ot4 s PRO 2 Ca 0.00 1.56 0.09 0.00 0.04 0.00 0.00 61.00 62.69 1ot4 s PRO 2 Cb 0.00 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 1ot4 s PRO 2 CO 0.00 -0.09 -0.05 0.15 0.04 0.00 0.00 177.00 177.04 1ot4 s LYS 3 N -2.34 1.91 1.16 4.56 1.02 -1.26 -4.61 119.74 120.18 1ot4 s LYS 3 Ca 0.56 -1.89 -0.18 0.00 0.02 0.00 0.00 55.97 54.49 1ot4 s LYS 3 Cb -0.24 -1.78 0.19 0.00 -0.52 0.00 0.00 37.83 35.49 1ot4 s LYS 3 CO 0.30 0.13 0.34 1.47 -0.92 0.00 0.00 175.35 176.66 1ot4 n LEU 4 N -0.86 -1.81 0.00 3.17 -0.00 -1.26 -4.94 117.00 111.30 1ot4 n LEU 4 Ca -0.05 -0.30 0.00 0.00 -0.00 0.00 0.00 56.01 55.66 1ot4 n LEU 4 Cb 0.63 -0.96 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1ot4 n LEU 4 CO 0.44 -3.36 0.27 0.52 -0.00 0.00 0.00 177.39 175.25 1ot4 n VAL 5 N -4.73 0.00 -3.87 1.47 0.31 -1.26 -4.92 118.33 105.34 1ot4 n VAL 5 Ca 0.04 1.03 -0.11 0.00 -0.01 0.00 0.00 64.34 65.29 1ot4 n VAL 5 Cb 0.55 -1.96 -0.09 0.00 -0.91 0.00 0.00 33.84 31.42 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 -2.15 0.04 0.22 4.52 0.01 -1.24 -5.06 113.70 110.05 1ot4 s SER 6 Ca 0.00 -0.28 -0.17 0.00 1.31 0.00 0.00 55.95 56.81 1ot4 s SER 6 Cb 0.00 0.23 0.02 0.00 0.21 0.00 0.00 66.02 66.49 1ot4 s SER 6 CO 0.00 -0.44 0.55 -0.94 0.41 0.00 0.00 173.24 172.82 1ot4 s SER 7 N -1.66 -0.24 -0.40 2.44 1.04 -1.26 0.61 113.70 114.23 1ot4 s SER 7 Ca -0.11 -0.56 0.11 0.00 0.48 0.00 0.00 55.95 55.87 1ot4 s SER 7 Cb -0.05 0.61 0.36 0.00 0.10 0.00 0.00 66.02 67.04 1ot4 s SER 7 CO -0.00 -1.12 0.79 0.41 0.98 0.00 0.00 173.24 174.30 1ot4 n THR 8 N -0.37 0.46 0.09 2.02 -1.04 0.17 -4.91 114.28 110.69 1ot4 n THR 8 Ca -0.08 -4.60 -0.05 0.00 -2.04 0.00 0.00 64.05 57.29 1ot4 n THR 8 Cb 0.62 -0.36 -0.02 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 -0.29 0.00 -2.82 0.13 -1.87 -1.17 132.00 128.98 1ot4 h PRO 9 Ca 0.09 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ot4 h PRO 9 Cb 0.92 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ot4 h PRO 9 CO 0.55 -0.19 0.00 0.00 -0.23 0.00 0.00 178.00 178.13 1ot4 n ALA 10 N -2.66 0.00 -1.38 -0.56 0.00 -1.26 -4.60 120.51 110.05 1ot4 n ALA 10 Ca -0.04 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.88 1ot4 n ALA 10 Cb 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 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 0.49 -4.25 0.00 1.02 -1.26 -0.77 120.64 115.87 1ot4 n GLU 11 Ca 0.00 0.11 -0.33 0.00 -0.02 0.00 0.00 57.16 56.93 1ot4 n GLU 11 Cb 0.00 -2.00 -0.08 0.00 -0.02 0.00 0.00 31.44 29.35 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 6.88 -0.23 3.44 0.62 0.00 0.17 -4.84 105.19 111.23 1ot4 n GLY 12 Ca 0.50 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 46.29 1ot4 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ot4 s SER 13 N -4.27 6.21 -0.22 1.61 0.01 0.05 -4.86 113.70 112.22 1ot4 s SER 13 Ca 0.07 -1.00 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 1ot4 s SER 13 Cb -0.04 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1ot4 s SER 13 CO 0.98 -1.25 0.06 -1.61 0.41 0.00 0.00 173.24 171.83 1ot4 s GLU 14 N 3.48 3.73 0.00 12.44 2.02 -1.26 0.15 118.70 139.26 1ot4 s GLU 14 Ca 0.20 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1ot4 s GLU 14 Cb -0.18 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.80 1ot4 s GLU 14 CO 0.11 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1ot4 n GLY 15 N 4.45 2.06 3.71 -1.39 0.00 -1.23 -4.94 105.19 107.85 1ot4 n GLY 15 Ca -0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.85 -0.01 4.61 0.00 -1.24 -0.43 121.76 122.85 1ot4 s ALA 16 Ca 0.00 0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 1ot4 s ALA 16 Cb 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 1ot4 s ALA 16 CO 0.00 -1.05 0.53 0.00 0.00 0.00 0.00 175.76 175.24 1ot4 s ALA 17 N -2.97 3.55 0.90 0.00 0.00 -1.26 -4.65 121.76 117.34 1ot4 s ALA 17 Ca 0.13 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 1ot4 s ALA 17 Cb 0.01 -2.62 0.13 0.00 0.00 0.00 0.00 23.12 20.64 1ot4 s ALA 17 CO 0.00 0.26 1.13 -1.25 0.00 0.00 0.00 175.76 175.91 1ot4 s PRO 18 N -0.45 1.23 0.02 0.00 0.04 -1.26 -4.99 135.00 129.59 1ot4 s PRO 18 Ca 0.28 0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.39 1ot4 s PRO 18 Cb -0.18 -1.85 -0.18 0.00 0.04 0.00 0.00 34.50 32.34 1ot4 s PRO 18 CO 0.16 -2.14 1.43 0.00 0.04 0.00 0.00 177.00 176.49 1ot4 h ALA 19 N -1.46 -0.06 -2.54 8.56 0.00 -1.97 -3.47 119.26 118.32 1ot4 h ALA 19 Ca -0.50 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1ot4 h ALA 19 Cb 1.33 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.98 1ot4 h ALA 19 CO 0.62 -0.39 -0.02 -1.59 0.00 0.00 0.00 179.25 177.88 1ot4 s LYS 20 N -5.00 1.00 0.27 0.00 0.00 -1.26 -4.70 119.74 110.05 1ot4 s LYS 20 Ca -0.15 -0.32 -0.19 0.00 0.00 0.00 0.00 55.97 55.31 1ot4 s LYS 20 Cb 0.03 0.45 -0.09 0.00 0.00 0.00 0.00 37.83 38.23 1ot4 s LYS 20 CO 0.65 -0.36 0.76 0.42 0.00 0.00 0.00 175.35 176.83 1ot4 s ILE 21 N -2.59 4.54 0.08 3.79 1.09 0.45 -4.88 121.20 123.69 1ot4 s ILE 21 Ca -0.05 1.28 0.07 0.00 -1.10 0.00 0.00 60.65 60.86 1ot4 s ILE 21 Cb -0.01 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 1ot4 s ILE 21 CO -0.03 0.09 -0.13 -0.70 -0.10 0.00 0.00 174.94 174.07 1ot4 s GLU 22 N -2.26 2.09 -0.09 2.79 2.12 -0.44 -0.20 118.70 122.71 1ot4 s GLU 22 Ca 0.47 -1.02 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 1ot4 s GLU 22 Cb -0.15 -2.27 0.03 0.00 0.26 0.00 0.00 34.13 32.00 1ot4 s GLU 22 CO 0.20 0.52 0.30 -0.51 -0.54 0.00 0.00 175.26 175.23 1ot4 s LEU 23 N -1.97 0.88 0.10 2.70 1.43 0.25 0.42 118.68 122.49 1ot4 s LEU 23 Ca 0.19 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 1ot4 s LEU 23 Cb -0.11 1.08 -0.04 0.00 0.03 0.00 0.00 46.19 47.15 1ot4 s LEU 23 CO 0.11 -0.20 -0.07 -1.00 0.23 0.00 0.00 176.35 175.42 1ot4 s HIS 24 N -0.26 0.94 -0.00 0.29 3.76 0.20 -1.56 115.29 118.66 1ot4 s HIS 24 Ca -0.04 -0.89 -0.22 0.00 -0.15 0.00 0.00 55.06 53.76 1ot4 s HIS 24 Cb -0.03 -0.53 0.05 0.00 1.11 0.00 0.00 32.58 33.17 1ot4 s HIS 24 CO 0.01 -0.12 0.49 -0.06 -0.85 0.00 0.00 174.74 174.22 1ot4 s PHE 25 N -3.54 -0.40 -0.72 1.40 0.08 -1.17 -3.65 117.98 109.99 1ot4 s PHE 25 Ca 0.12 0.58 0.26 0.00 0.12 0.00 0.00 56.93 58.00 1ot4 s PHE 25 Cb 0.05 0.27 0.72 0.00 -0.57 0.00 0.00 43.02 43.48 1ot4 s PHE 25 CO -0.04 -0.55 1.68 0.43 -0.10 0.00 0.00 175.22 176.64 1ot4 n SER 26 N 0.83 0.78 0.00 1.36 7.64 -1.26 -4.62 113.62 118.35 1ot4 n SER 26 Ca -0.19 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1ot4 n SER 26 Cb 0.58 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1ot4 n SER 26 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ot4 n GLU 27 N -2.22 0.00 0.00 1.43 2.13 -1.26 -5.07 120.64 115.65 1ot4 n GLU 27 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1ot4 n GLU 27 Cb 0.43 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 32.06 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ot4 n ASN 28 N -2.10 0.00 -3.42 4.31 5.15 -1.26 -4.65 115.26 113.28 1ot4 n ASN 28 Ca 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 1ot4 n ASN 28 Cb 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.29 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 0.00 -2.33 0.00 1.20 0.00 -1.26 -4.88 117.00 109.73 1ot4 n LEU 29 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 56.01 55.82 1ot4 n LEU 29 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 43.42 41.90 1ot4 n LEU 29 CO 0.00 0.02 0.35 0.52 0.00 0.00 0.00 177.39 178.28 1ot4 n VAL 30 N -0.25 0.00 -1.68 1.96 0.31 -1.26 -4.74 118.33 112.66 1ot4 n VAL 30 Ca -0.09 1.20 -0.08 0.00 -0.01 0.00 0.00 64.34 65.36 1ot4 n VAL 30 Cb 0.66 -2.06 -0.02 0.00 -0.91 0.00 0.00 33.84 31.50 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 -1.30 -0.14 -0.38 2.52 5.66 -1.26 -4.72 114.28 114.65 1ot4 n THR 31 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ot4 n THR 31 Cb 0.00 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 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 -1.97 0.00 -2.60 1.09 7.27 -1.26 -5.03 117.38 114.88 1ot4 n GLN 32 Ca -0.09 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.67 1ot4 n GLN 32 Cb 0.38 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.03 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1ot4 n PHE 33 N 0.00 3.49 -2.69 3.69 3.72 -1.26 -5.04 117.46 119.36 1ot4 n PHE 33 Ca 0.00 -3.24 -0.23 0.00 -0.05 0.00 0.00 57.45 53.93 1ot4 n PHE 33 Cb 0.00 -0.59 0.03 0.00 -0.94 0.00 0.00 39.48 37.98 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 -2.79 5.51 0.00 4.37 0.15 -1.26 -4.71 113.70 114.97 1ot4 s SER 34 Ca 0.47 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1ot4 s SER 34 Cb 0.32 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 1ot4 s SER 34 CO -0.19 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 173.86 1ot4 n GLY 35 N -2.33 0.22 3.20 9.45 0.00 -0.48 -5.00 105.19 110.24 1ot4 n GLY 35 Ca 0.05 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.74 1.14 -0.22 4.61 0.00 -1.26 -0.22 121.76 124.07 1ot4 s ALA 36 Ca 0.00 -1.62 -0.12 0.00 0.00 0.00 0.00 51.96 50.22 1ot4 s ALA 36 Cb 0.00 1.04 0.07 0.00 0.00 0.00 0.00 23.12 24.24 1ot4 s ALA 36 CO 0.00 -0.50 0.53 0.15 0.00 0.00 0.00 175.76 175.94 1ot4 s LYS 37 N -4.07 0.53 -0.12 0.00 1.02 0.12 -4.87 119.74 112.34 1ot4 s LYS 37 Ca 0.31 1.00 -0.13 0.00 0.02 0.00 0.00 55.97 57.17 1ot4 s LYS 37 Cb 0.07 0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.41 1ot4 s LYS 37 CO 0.07 -0.16 0.29 -1.17 -0.92 0.00 0.00 175.35 173.47 1ot4 s LEU 38 N 1.57 4.31 -0.02 3.17 2.96 -1.26 -1.03 118.68 128.38 1ot4 s LEU 38 Ca -0.09 0.60 0.07 0.00 -0.22 0.00 0.00 54.13 54.48 1ot4 s LEU 38 Cb -0.07 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1ot4 s LEU 38 CO -0.16 0.19 -0.23 0.68 -1.32 0.00 0.00 176.35 175.51 1ot4 s VAL 39 N -0.06 1.81 -0.70 1.68 -7.23 -0.59 -0.94 120.40 114.37 1ot4 s VAL 39 Ca 0.18 -0.98 -0.18 0.00 -1.81 0.00 0.00 61.98 59.19 1ot4 s VAL 39 Cb -0.14 -1.50 0.12 0.00 0.56 0.00 0.00 36.38 35.43 1ot4 s VAL 39 CO 0.06 0.51 0.82 -0.32 -0.31 0.00 0.00 175.10 175.85 1ot4 s MET 40 N -0.52 3.23 -0.78 4.82 1.75 0.25 -0.67 119.30 127.39 1ot4 s MET 40 Ca 0.08 -1.53 0.03 0.00 -1.25 0.00 0.00 55.69 53.02 1ot4 s MET 40 Cb -0.09 -4.41 0.19 0.00 2.84 0.00 0.00 34.83 33.36 1ot4 s MET 40 CO -0.01 -1.57 0.60 -2.37 -0.65 0.00 0.00 175.02 171.02 1ot4 n THR 41 N 5.34 2.15 -0.40 10.11 5.66 -0.13 -3.31 114.28 133.70 1ot4 n THR 41 Ca 0.01 -4.97 -0.16 0.00 -3.05 0.00 0.00 64.05 55.88 1ot4 n THR 41 Cb 0.45 -2.26 0.15 0.00 -1.55 0.00 0.00 70.33 67.12 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 2.06 -2.72 -1.26 1.79 0.00 -0.70 -4.34 120.51 115.33 1ot4 n ALA 42 Ca 0.21 -0.79 -0.44 0.00 0.00 0.00 0.00 53.44 52.42 1ot4 n ALA 42 Cb 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 1ot4 n ALA 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ot4 n MET 43 N -1.97 0.00 -2.31 0.00 2.81 -1.26 -4.75 117.12 109.65 1ot4 n MET 43 Ca 0.07 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.58 1ot4 n MET 43 Cb 0.31 -0.93 -0.03 0.00 -0.71 0.00 0.00 33.22 31.86 1ot4 n MET 43 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1ot4 s PRO 44 N -0.84 2.98 -0.14 0.03 0.04 -1.26 -4.48 135.00 131.33 1ot4 s PRO 44 Ca 0.59 -0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.51 1ot4 s PRO 44 Cb -0.85 -4.61 0.09 0.00 0.04 0.00 0.00 34.50 29.16 1ot4 s PRO 44 CO 0.50 -2.55 0.81 0.41 0.04 0.00 0.00 177.00 176.21 1ot4 n GLY 45 N 6.01 -0.41 2.42 0.56 0.00 -1.26 -5.04 105.19 107.46 1ot4 n GLY 45 Ca 0.20 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.38 0.99 -4.28 1.61 2.81 -1.26 -4.96 117.12 111.65 1ot4 n MET 46 Ca -0.10 -2.77 -0.37 0.00 -1.81 0.00 0.00 57.70 52.65 1ot4 n MET 46 Cb 0.60 -1.41 -0.08 0.00 -0.71 0.00 0.00 33.22 31.62 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 0.30 -0.78 -3.16 0.03 2.13 -1.26 -2.20 120.64 115.70 1ot4 n GLU 47 Ca 0.17 0.12 -0.06 0.00 0.66 0.00 0.00 57.16 58.05 1ot4 n GLU 47 Cb 0.68 -4.10 0.01 0.00 0.27 0.00 0.00 31.44 28.29 1ot4 n GLU 47 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1ot4 n HIS 48 N -3.91 -1.07 -3.33 4.31 8.25 -1.26 -4.94 115.22 113.26 1ot4 n HIS 48 Ca 0.01 0.46 -0.26 0.00 -0.26 0.00 0.00 57.72 57.68 1ot4 n HIS 48 Cb 0.47 -1.64 -0.08 0.00 1.12 0.00 0.00 29.99 29.87 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ot4 n SER 49 N 0.95 2.09 -4.81 0.41 7.64 -0.93 -5.10 113.62 113.87 1ot4 n SER 49 Ca -0.01 -3.09 -0.30 0.00 1.01 0.00 0.00 58.87 56.48 1ot4 n SER 49 Cb 0.45 -0.66 0.09 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.83 2.18 -0.06 1.43 0.04 -1.26 -4.93 135.00 130.57 1ot4 s PRO 50 Ca 0.37 0.67 -0.18 0.00 0.04 0.00 0.00 61.00 61.91 1ot4 s PRO 50 Cb 0.15 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.80 1ot4 s PRO 50 CO -0.06 -1.56 0.41 -1.64 0.04 0.00 0.00 177.00 174.18 1ot4 s MET 51 N -5.15 0.68 0.26 4.56 -1.94 -1.21 -5.02 119.30 111.49 1ot4 s MET 51 Ca 0.60 0.12 -0.12 0.00 -1.71 0.00 0.00 55.69 54.58 1ot4 s MET 51 Cb -0.14 0.31 -0.08 0.00 2.01 0.00 0.00 34.83 36.93 1ot4 s MET 51 CO 0.54 -0.17 0.63 0.00 -0.01 0.00 0.00 175.02 176.01 1ot4 s ALA 52 N -0.84 3.47 0.16 3.03 0.00 -1.26 0.84 121.76 127.16 1ot4 s ALA 52 Ca -0.09 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.78 1ot4 s ALA 52 Cb -0.04 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1ot4 s ALA 52 CO 0.04 0.43 0.23 0.54 0.00 0.00 0.00 175.76 177.00 1ot4 s VAL 53 N -1.84 4.99 -1.11 0.00 0.11 -0.12 -4.78 120.40 117.66 1ot4 s VAL 53 Ca 0.49 -0.86 -0.17 0.00 -2.93 0.00 0.00 61.98 58.52 1ot4 s VAL 53 Cb -0.11 -3.57 0.14 0.00 -1.53 0.00 0.00 36.38 31.30 1ot4 s VAL 53 CO 0.20 -0.11 1.36 -0.54 -3.33 0.00 0.00 175.10 172.67 1ot4 s LYS 54 N -3.22 3.87 0.37 1.54 1.02 -1.26 -4.76 119.74 117.31 1ot4 s LYS 54 Ca 0.33 -2.13 0.04 0.00 0.02 0.00 0.00 55.97 54.23 1ot4 s LYS 54 Cb -0.11 -5.08 -0.04 0.00 -0.52 0.00 0.00 37.83 32.08 1ot4 s LYS 54 CO 0.27 -1.85 0.08 0.00 -0.92 0.00 0.00 175.35 172.93 1ot4 s ALA 55 N 2.49 2.73 -0.01 5.17 0.00 -1.26 -2.39 121.76 128.49 1ot4 s ALA 55 Ca 0.41 -1.59 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 1ot4 s ALA 55 Cb -0.03 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.76 1ot4 s ALA 55 CO -0.03 -0.30 0.21 0.00 0.00 0.00 0.00 175.76 175.63 1ot4 s ALA 56 N -3.23 -0.51 -0.22 0.00 0.00 -1.13 -4.89 121.76 111.79 1ot4 s ALA 56 Ca 0.29 0.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 1ot4 s ALA 56 Cb 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1ot4 s ALA 56 CO 0.14 -0.23 0.12 0.54 0.00 0.00 0.00 175.76 176.33 1ot4 s VAL 57 N -1.32 5.12 -0.02 0.00 0.11 -1.26 -0.90 120.40 122.13 1ot4 s VAL 57 Ca -0.14 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1ot4 s VAL 57 Cb -0.07 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1ot4 s VAL 57 CO 0.03 0.39 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.66 1ot4 s SER 58 N 0.79 1.20 0.63 3.54 0.01 0.02 -4.97 113.70 114.92 1ot4 s SER 58 Ca 0.06 -0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 1ot4 s SER 58 Cb -0.13 -0.27 0.05 0.00 0.21 0.00 0.00 66.02 65.87 1ot4 s SER 58 CO 0.02 0.08 0.91 -0.83 0.41 0.00 0.00 173.24 173.83 1ot4 s GLY 59 N 0.09 1.74 0.00 3.44 0.00 -1.26 0.16 107.32 111.49 1ot4 s GLY 59 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1ot4 s GLY 59 CO 0.00 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 172.97 1ot4 n GLY 60 N -2.66 1.99 0.24 0.20 0.00 -1.14 -4.85 105.19 98.97 1ot4 n GLY 60 Ca 0.08 -1.78 0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 -4.85 -0.02 0.00 -2.00 -3.43 103.07 92.78 1ot4 h GLY 61 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1ot4 h GLY 61 CO 0.00 0.00 -0.65 0.99 0.00 0.00 0.00 176.54 176.88 1ot4 s ASP 62 N -6.27 5.11 0.22 0.19 1.01 -1.26 -5.00 116.67 110.67 1ot4 s ASP 62 Ca -0.02 -0.03 0.25 0.00 0.71 0.00 0.00 52.55 53.46 1ot4 s ASP 62 Cb 0.12 -1.32 0.90 0.00 1.01 0.00 0.00 42.92 43.63 1ot4 s ASP 62 CO 0.62 0.27 1.74 -0.81 0.21 0.00 0.00 175.17 177.20 1ot4 n PRO 63 N 1.29 0.22 0.10 8.23 -0.04 -1.26 -2.24 135.00 141.30 1ot4 n PRO 63 Ca -0.14 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1ot4 n PRO 63 Cb 0.53 -1.82 0.13 0.00 -0.04 0.00 0.00 33.50 32.29 1ot4 n PRO 63 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1ot4 h LYS 64 N 0.00 0.00 -5.82 0.54 2.10 -1.90 -3.42 116.57 108.06 1ot4 h LYS 64 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 1ot4 h LYS 64 Cb 0.54 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.80 1ot4 h LYS 64 CO 0.00 0.00 -0.12 0.99 -2.00 0.00 0.00 179.45 178.32 1ot4 s THR 65 N -3.24 5.13 -0.02 0.07 2.01 -0.95 -3.01 115.64 115.62 1ot4 s THR 65 Ca 0.04 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.07 1ot4 s THR 65 Cb 0.11 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.79 1ot4 s THR 65 CO 0.73 0.36 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.91 1ot4 s MET 66 N 0.36 0.76 -0.07 4.92 -1.94 -0.60 -2.89 119.30 119.85 1ot4 s MET 66 Ca 0.27 -0.22 -0.00 0.00 -1.71 0.00 0.00 55.69 54.03 1ot4 s MET 66 Cb -0.16 -0.73 0.02 0.00 2.01 0.00 0.00 34.83 35.97 1ot4 s MET 66 CO 0.12 0.07 -0.03 0.14 -0.01 0.00 0.00 175.02 175.31 1ot4 s VAL 67 N 0.26 0.53 -0.24 -6.03 -7.23 0.12 0.88 120.40 108.70 1ot4 s VAL 67 Ca -0.03 -0.03 -0.23 0.00 -1.81 0.00 0.00 61.98 59.88 1ot4 s VAL 67 Cb -0.08 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 36.23 1ot4 s VAL 67 CO 0.00 0.26 0.75 -0.63 -0.31 0.00 0.00 175.10 175.18 1ot4 s ILE 68 N 1.53 4.90 -0.29 -0.62 1.09 0.72 -0.80 121.20 127.72 1ot4 s ILE 68 Ca -0.01 1.41 0.02 0.00 -1.10 0.00 0.00 60.65 60.97 1ot4 s ILE 68 Cb -0.13 -4.05 0.08 0.00 -1.06 0.00 0.00 42.46 37.30 1ot4 s ILE 68 CO -0.04 -0.02 -0.01 -0.89 -0.10 0.00 0.00 174.94 173.88 1ot4 s THR 69 N 2.64 1.83 0.16 2.92 2.01 -0.08 -0.42 115.64 124.71 1ot4 s THR 69 Ca 0.32 -1.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.29 1ot4 s THR 69 Cb -0.15 -2.19 -0.07 0.00 0.01 0.00 0.00 72.50 70.09 1ot4 s THR 69 CO 0.08 -0.34 1.12 -2.16 -0.69 0.00 0.00 174.62 172.63 1ot4 s PRO 70 N 1.19 4.56 0.42 4.92 0.04 -1.26 -2.82 135.00 142.04 1ot4 s PRO 70 Ca 0.02 1.74 0.21 0.00 0.04 0.00 0.00 61.00 63.01 1ot4 s PRO 70 Cb -0.19 -3.28 0.85 0.00 0.04 0.00 0.00 34.50 31.92 1ot4 s PRO 70 CO -0.09 0.01 1.80 0.00 0.04 0.00 0.00 177.00 178.76 1ot4 h ALA 71 N 5.36 1.04 -3.08 8.56 0.00 -1.82 -3.44 119.26 125.90 1ot4 h ALA 71 Ca -0.44 -0.26 -0.63 0.00 0.00 0.00 0.00 54.91 53.58 1ot4 h ALA 71 Cb 1.21 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1ot4 h ALA 71 CO 0.74 0.36 -0.56 0.45 0.00 0.00 0.00 179.25 180.24 1ot4 s SER 72 N -6.33 5.85 0.14 0.00 0.15 -1.23 -5.08 113.70 107.20 1ot4 s SER 72 Ca -0.00 0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.45 1ot4 s SER 72 Cb 0.11 -1.67 -0.07 0.00 -1.71 0.00 0.00 66.02 62.68 1ot4 s SER 72 CO 0.66 0.17 1.14 -2.16 1.20 0.00 0.00 173.24 174.25 1ot4 s PRO 73 N -2.44 4.53 -0.32 5.44 0.04 -1.26 -4.99 135.00 136.00 1ot4 s PRO 73 Ca 0.31 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 1ot4 s PRO 73 Cb -0.12 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1ot4 s PRO 73 CO 0.24 -0.05 1.01 -0.51 0.04 0.00 0.00 177.00 177.73 1ot4 s LEU 74 N 0.12 3.97 0.59 -3.56 1.43 -1.26 -5.03 118.68 114.94 1ot4 s LEU 74 Ca 0.53 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 1ot4 s LEU 74 Cb -0.29 -3.43 0.06 0.00 0.03 0.00 0.00 46.19 42.55 1ot4 s LEU 74 CO 0.33 -0.83 0.83 0.42 0.23 0.00 0.00 176.35 177.33 1ot4 s THR 75 N 3.51 2.49 1.02 5.49 -4.23 -1.26 -4.65 115.64 118.01 1ot4 s THR 75 Ca 0.42 -0.69 -0.16 0.00 -1.18 0.00 0.00 61.69 60.09 1ot4 s THR 75 Cb -0.12 -2.80 0.12 0.00 1.34 0.00 0.00 72.50 71.04 1ot4 s THR 75 CO 0.15 0.00 0.09 0.00 -0.54 0.00 0.00 174.62 174.32 1ot4 n ALA 76 N -2.45 -1.79 0.00 3.99 0.00 -1.26 -4.78 120.51 114.22 1ot4 n ALA 76 Ca 0.11 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1ot4 n ALA 76 Cb 0.60 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 2.44 -0.05 2.93 0.00 0.00 0.14 -4.84 105.19 105.82 1ot4 n GLY 77 Ca 0.04 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 1ot4 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ot4 s THR 78 N 0.00 0.51 0.23 2.61 2.01 -1.26 -0.02 115.64 119.73 1ot4 s THR 78 Ca 0.00 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1ot4 s THR 78 Cb 0.00 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1ot4 s THR 78 CO 0.00 0.19 0.04 -0.31 -0.69 0.00 0.00 174.62 173.84 1ot4 s TYR 79 N 0.45 1.50 -0.09 4.92 1.51 -0.55 -0.96 117.35 124.13 1ot4 s TYR 79 Ca -0.06 -1.04 -0.03 0.00 -1.01 0.00 0.00 57.07 54.94 1ot4 s TYR 79 Cb -0.09 -0.88 0.05 0.00 -0.11 0.00 0.00 41.96 40.92 1ot4 s TYR 79 CO -0.00 -0.18 0.10 0.21 -1.11 0.00 0.00 175.55 174.57 1ot4 s LYS 80 N -3.94 0.00 -0.55 -0.62 2.36 0.15 -1.37 119.74 115.77 1ot4 s LYS 80 Ca 0.31 0.30 -0.21 0.00 -2.55 0.00 0.00 55.97 53.82 1ot4 s LYS 80 Cb 0.07 -0.83 0.06 0.00 -1.05 0.00 0.00 37.83 36.07 1ot4 s LYS 80 CO 0.10 -0.43 0.78 0.08 1.55 0.00 0.00 175.35 177.42 1ot4 s VAL 81 N 2.20 4.64 -0.34 4.02 1.01 -0.05 -1.55 120.40 130.34 1ot4 s VAL 81 Ca 0.04 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 1ot4 s VAL 81 Cb -0.13 -4.45 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1ot4 s VAL 81 CO -0.06 -1.03 0.49 -1.81 0.00 0.00 0.00 175.10 172.69 1ot4 s ASP 82 N 2.98 6.31 0.18 3.32 1.11 -0.20 0.44 116.67 130.82 1ot4 s ASP 82 Ca 0.20 0.02 0.08 0.00 0.18 0.00 0.00 52.55 53.03 1ot4 s ASP 82 Cb -0.17 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 1ot4 s ASP 82 CO 0.13 -0.43 -0.05 -1.66 1.18 0.00 0.00 175.17 174.34 1ot4 s TRP 83 N 2.33 2.73 -0.09 4.23 1.48 0.55 0.12 118.94 130.30 1ot4 s TRP 83 Ca 0.18 -0.19 -0.04 0.00 -1.06 0.00 0.00 56.10 54.99 1ot4 s TRP 83 Cb -0.16 -1.32 0.04 0.00 -1.16 0.00 0.00 33.47 30.88 1ot4 s TRP 83 CO 0.13 0.52 0.21 1.03 -4.06 0.00 0.00 176.95 174.78 1ot4 s ARG 84 N -2.94 0.16 -0.28 3.25 0.52 0.69 -0.04 118.95 120.31 1ot4 s ARG 84 Ca 0.26 0.46 0.03 0.00 -0.52 0.00 0.00 55.73 55.96 1ot4 s ARG 84 Cb -0.09 -0.14 0.07 0.00 0.52 0.00 0.00 34.95 35.31 1ot4 s ARG 84 CO 0.17 -0.16 -0.06 0.00 0.02 0.00 0.00 175.30 175.27 1ot4 s ALA 85 N 1.19 2.67 -0.16 2.13 0.00 0.70 -1.38 121.76 126.91 1ot4 s ALA 85 Ca -0.09 -1.93 -0.08 0.00 0.00 0.00 0.00 51.96 49.86 1ot4 s ALA 85 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1ot4 s ALA 85 CO -0.07 -1.31 0.11 0.08 0.00 0.00 0.00 175.76 174.57 1ot4 s VAL 86 N 1.08 5.28 0.00 0.00 1.01 -1.26 -0.97 120.40 125.53 1ot4 s VAL 86 Ca -0.04 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1ot4 s VAL 86 Cb -0.20 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1ot4 s VAL 86 CO -0.05 0.52 0.29 -0.44 0.00 0.00 0.00 175.10 175.42 1ot4 s SER 87 N -0.22 -0.15 -1.16 3.32 0.01 -1.26 -4.68 113.70 109.55 1ot4 s SER 87 Ca 0.10 -0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.11 1ot4 s SER 87 Cb -0.12 0.31 -0.12 0.00 0.21 0.00 0.00 66.02 66.30 1ot4 s SER 87 CO 0.01 -0.48 1.98 -0.44 0.41 0.00 0.00 173.24 174.72 1ot4 s SER 88 N -1.51 4.64 0.06 2.44 0.01 -1.26 -4.04 113.70 114.04 1ot4 s SER 88 Ca -0.12 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 55.63 1ot4 s SER 88 Cb -0.04 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1ot4 s SER 88 CO 0.02 -3.49 0.00 -0.67 0.41 0.00 0.00 173.24 169.51 1ot4 n ASP 89 N 15.67 0.09 0.01 2.44 2.03 -1.26 -5.08 116.55 130.45 1ot4 n ASP 89 Ca 0.44 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1ot4 n ASP 89 Cb 0.47 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1ot4 n ASP 89 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1ot4 n THR 90 N -2.91 0.00 -4.13 5.18 5.66 -1.26 -5.15 114.28 111.66 1ot4 n THR 90 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1ot4 n THR 90 Cb 0.15 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.83 1ot4 n THR 90 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1ot4 s HIS 91 N -2.00 0.75 0.65 1.09 3.76 -1.26 -5.12 115.29 113.16 1ot4 s HIS 91 Ca 0.00 -0.92 -0.13 0.00 -0.15 0.00 0.00 55.06 53.86 1ot4 s HIS 91 Cb 0.00 -0.46 -0.01 0.00 1.11 0.00 0.00 32.58 33.22 1ot4 s HIS 91 CO 0.00 -0.22 1.06 -1.25 -0.85 0.00 0.00 174.74 173.48 1ot4 s PRO 92 N -3.64 3.10 -0.19 8.40 0.04 -1.26 -4.65 135.00 136.80 1ot4 s PRO 92 Ca 0.08 1.04 -0.06 0.00 0.04 0.00 0.00 61.00 62.10 1ot4 s PRO 92 Cb 0.05 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1ot4 s PRO 92 CO -0.06 -0.97 0.02 0.42 0.04 0.00 0.00 177.00 176.45 1ot4 s ILE 93 N -2.84 4.25 -0.03 0.56 -1.09 -0.14 -4.98 121.20 116.92 1ot4 s ILE 93 Ca 0.60 -0.22 0.05 0.00 -2.23 0.00 0.00 60.65 58.85 1ot4 s ILE 93 Cb -0.14 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 1ot4 s ILE 93 CO 0.48 0.45 -0.17 0.42 -1.23 0.00 0.00 174.94 174.89 1ot4 s THR 94 N 0.68 2.83 0.13 2.92 -4.23 -1.26 -0.21 115.64 116.50 1ot4 s THR 94 Ca 0.01 -0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 59.55 1ot4 s THR 94 Cb -0.14 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.61 1ot4 s THR 94 CO 0.02 0.56 0.30 -0.83 -0.54 0.00 0.00 174.62 174.12 1ot4 s GLY 95 N -0.80 0.13 -0.08 3.99 0.00 0.94 -4.87 107.32 106.62 1ot4 s GLY 95 Ca 0.12 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.15 1ot4 s GLY 95 CO 0.01 -0.66 0.33 -0.56 0.00 0.00 0.00 173.10 172.21 1ot4 s SER 96 N -2.89 -0.29 -0.34 1.64 0.01 -1.26 -0.33 113.70 110.25 1ot4 s SER 96 Ca 0.09 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1ot4 s SER 96 Cb 0.03 0.54 0.11 0.00 0.21 0.00 0.00 66.02 66.91 1ot4 s SER 96 CO -0.07 -0.25 0.13 -0.69 0.41 0.00 0.00 173.24 172.78 1ot4 s VAL 97 N -0.41 1.10 0.15 3.43 1.01 0.17 -4.92 120.40 120.92 1ot4 s VAL 97 Ca -0.05 -1.75 -0.25 0.00 0.00 0.00 0.00 61.98 59.93 1ot4 s VAL 97 Cb -0.03 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 1ot4 s VAL 97 CO 0.02 -0.73 0.76 0.28 0.00 0.00 0.00 175.10 175.43 1ot4 s THR 98 N 1.25 4.43 -0.04 3.92 -1.32 -1.26 -0.87 115.64 121.76 1ot4 s THR 98 Ca 0.12 1.66 -0.19 0.00 -1.21 0.00 0.00 61.69 62.07 1ot4 s THR 98 Cb -0.19 -4.12 0.04 0.00 -1.51 0.00 0.00 72.50 66.72 1ot4 s THR 98 CO -0.17 0.51 0.42 0.72 -2.21 0.00 0.00 174.62 173.89 1ot4 s PHE 99 N -1.03 -0.33 0.36 9.09 -0.12 -0.47 0.45 117.98 125.93 1ot4 s PHE 99 Ca 0.35 0.57 0.07 0.00 -0.05 0.00 0.00 56.93 57.87 1ot4 s PHE 99 Cb -0.23 0.19 -0.00 0.00 -0.63 0.00 0.00 43.02 42.35 1ot4 s PHE 99 CO 0.25 -0.44 0.51 0.15 -0.05 0.00 0.00 175.22 175.64 1ot4 s LYS 100 N -1.18 3.03 -0.14 1.99 1.02 0.12 -1.48 119.74 123.10 1ot4 s LYS 100 Ca -0.12 -1.07 -0.04 0.00 0.02 0.00 0.00 55.97 54.76 1ot4 s LYS 100 Cb -0.04 -2.79 0.07 0.00 -0.52 0.00 0.00 37.83 34.55 1ot4 s LYS 100 CO 0.06 -0.05 0.23 0.08 -0.92 0.00 0.00 175.35 174.74 1ot4 s VAL 101 N -2.24 -0.36 -2.73 3.17 1.01 0.98 -3.51 120.40 116.71 1ot4 s VAL 101 Ca 0.48 0.17 0.22 0.00 0.00 0.00 0.00 61.98 62.85 1ot4 s VAL 101 Cb -0.10 -0.49 0.17 0.00 0.00 0.00 0.00 36.38 35.97 1ot4 s VAL 101 CO 0.32 0.02 1.19 0.29 0.00 0.00 0.00 175.10 176.93