#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 2.30 -3.69 -0.41 -0.04 -1.26 -4.81 135.00 127.09 1ot4 n PRO 2 Ca 0.00 -2.58 -0.11 0.00 -0.04 0.00 0.00 63.50 60.77 1ot4 n PRO 2 Cb 0.00 -3.38 -0.11 0.00 -0.04 0.00 0.00 33.50 29.97 1ot4 n PRO 2 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ot4 s LYS 3 N 4.77 0.33 0.65 0.54 2.36 -1.25 -4.59 119.74 122.55 1ot4 s LYS 3 Ca 0.57 0.77 -0.04 0.00 -2.55 0.00 0.00 55.97 54.72 1ot4 s LYS 3 Cb 0.07 0.01 0.05 0.00 -1.05 0.00 0.00 37.83 36.91 1ot4 s LYS 3 CO 0.07 -0.18 0.93 -0.48 1.55 0.00 0.00 175.35 177.24 1ot4 s LEU 4 N 1.61 2.98 0.00 5.43 -0.00 -1.26 -5.05 118.68 122.39 1ot4 s LEU 4 Ca -0.08 0.33 0.00 0.00 -0.00 0.00 0.00 54.13 54.38 1ot4 s LEU 4 Cb -0.09 -3.06 0.00 0.00 -0.00 0.00 0.00 46.19 43.04 1ot4 s LEU 4 CO -0.12 -1.42 0.21 0.52 -0.00 0.00 0.00 176.35 175.54 1ot4 n VAL 5 N -2.72 0.00 -4.06 1.48 0.31 -1.26 -4.91 118.33 107.17 1ot4 n VAL 5 Ca 0.08 0.71 -0.13 0.00 -0.01 0.00 0.00 64.34 64.99 1ot4 n VAL 5 Cb 0.60 -1.65 -0.12 0.00 -0.91 0.00 0.00 33.84 31.76 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 -2.12 0.74 0.21 4.52 0.01 -1.24 -5.05 113.70 110.77 1ot4 s SER 6 Ca 0.00 -0.47 -0.19 0.00 1.31 0.00 0.00 55.95 56.60 1ot4 s SER 6 Cb 0.00 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.29 1ot4 s SER 6 CO 0.00 -0.17 0.58 -0.94 0.41 0.00 0.00 173.24 173.12 1ot4 s SER 7 N -1.32 -0.30 -0.38 2.44 1.04 -1.26 0.84 113.70 114.76 1ot4 s SER 7 Ca -0.09 -0.46 0.12 0.00 0.48 0.00 0.00 55.95 56.00 1ot4 s SER 7 Cb -0.09 0.62 0.37 0.00 0.10 0.00 0.00 66.02 67.02 1ot4 s SER 7 CO 0.00 -1.12 0.78 0.41 0.98 0.00 0.00 173.24 174.29 1ot4 n THR 8 N -0.38 0.23 0.00 2.02 -1.04 0.17 -4.91 114.28 110.37 1ot4 n THR 8 Ca -0.09 -4.43 0.00 0.00 -2.04 0.00 0.00 64.05 57.48 1ot4 n THR 8 Cb 0.62 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1ot4 n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ot4 n PRO 9 N 0.19 0.00 -2.21 -2.82 -0.04 -1.13 -1.37 135.00 127.62 1ot4 n PRO 9 Ca 0.23 0.25 -0.02 0.00 -0.04 0.00 0.00 63.50 63.93 1ot4 n PRO 9 Cb 0.67 -0.88 -0.00 0.00 -0.04 0.00 0.00 33.50 33.24 1ot4 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ot4 n ALA 10 N -1.26 -1.92 -1.38 0.55 0.00 -1.26 -4.46 120.51 110.77 1ot4 n ALA 10 Ca 0.00 -0.29 -0.52 0.00 0.00 0.00 0.00 53.44 52.63 1ot4 n ALA 10 Cb 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.38 0.37 -3.93 0.00 1.02 -1.26 0.13 120.64 116.59 1ot4 n GLU 11 Ca -0.17 0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.75 1ot4 n GLU 11 Cb 0.60 -1.90 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 1ot4 n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ot4 n GLY 12 N 6.91 -0.44 3.56 0.62 0.00 0.18 -4.76 105.19 111.26 1ot4 n GLY 12 Ca 0.52 0.07 -0.32 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 -2.92 5.34 -0.25 1.61 0.01 0.12 -4.74 113.70 112.87 1ot4 s SER 13 Ca 0.60 -0.39 -0.07 0.00 1.31 0.00 0.00 55.95 57.40 1ot4 s SER 13 Cb -0.34 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.31 1ot4 s SER 13 CO 0.73 -2.48 0.07 -1.61 0.41 0.00 0.00 173.24 170.36 1ot4 s GLU 14 N 6.80 3.65 0.00 12.44 2.02 -1.26 0.26 118.70 142.61 1ot4 s GLU 14 Ca 0.65 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1ot4 s GLU 14 Cb -0.08 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1ot4 s GLU 14 CO 0.06 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1ot4 n GLY 15 N 4.91 2.05 3.65 -1.39 0.00 -1.21 -4.94 105.19 108.26 1ot4 n GLY 15 Ca -0.16 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.73 0.22 4.61 0.00 -1.24 -0.69 121.76 122.94 1ot4 s ALA 16 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 1ot4 s ALA 16 Cb 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.59 1ot4 s ALA 16 CO 0.00 -0.91 1.21 0.00 0.00 0.00 0.00 175.76 176.07 1ot4 s ALA 17 N -3.22 3.46 0.45 0.00 0.00 -1.26 -4.59 121.76 116.60 1ot4 s ALA 17 Ca 0.09 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 1ot4 s ALA 17 Cb -0.01 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1ot4 s ALA 17 CO -0.02 -0.40 1.05 -1.25 0.00 0.00 0.00 175.76 175.14 1ot4 s PRO 18 N -0.62 3.96 0.08 0.00 0.04 -1.26 -4.98 135.00 132.23 1ot4 s PRO 18 Ca 0.52 1.44 -0.33 0.00 0.04 0.00 0.00 61.00 62.67 1ot4 s PRO 18 Cb -0.34 -2.30 -0.17 0.00 0.04 0.00 0.00 34.50 31.73 1ot4 s PRO 18 CO 0.40 -0.30 1.61 0.00 0.04 0.00 0.00 177.00 178.75 1ot4 h ALA 19 N 1.99 -0.89 -2.27 8.56 0.00 -1.94 -3.46 119.26 121.25 1ot4 h ALA 19 Ca -0.49 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 1ot4 h ALA 19 Cb 1.22 0.45 -0.20 0.00 0.00 0.00 0.00 17.79 19.26 1ot4 h ALA 19 CO 0.60 -1.02 -0.04 -1.59 0.00 0.00 0.00 179.25 177.20 1ot4 s LYS 20 N -6.02 0.85 0.12 0.00 0.00 -1.26 -4.83 119.74 108.60 1ot4 s LYS 20 Ca -0.17 0.08 -0.23 0.00 0.00 0.00 0.00 55.97 55.64 1ot4 s LYS 20 Cb 0.04 0.39 -0.07 0.00 0.00 0.00 0.00 37.83 38.19 1ot4 s LYS 20 CO 0.62 -0.25 0.70 0.42 0.00 0.00 0.00 175.35 176.85 1ot4 s ILE 21 N -1.16 4.53 0.13 3.79 1.09 0.69 -4.82 121.20 125.45 1ot4 s ILE 21 Ca -0.12 1.52 0.09 0.00 -1.10 0.00 0.00 60.65 61.05 1ot4 s ILE 21 Cb -0.03 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.28 1ot4 s ILE 21 CO 0.07 0.52 -0.18 -0.70 -0.10 0.00 0.00 174.94 174.55 1ot4 s GLU 22 N -1.05 1.75 -0.05 2.79 2.12 -0.47 0.27 118.70 124.06 1ot4 s GLU 22 Ca 0.33 -1.24 -0.11 0.00 0.36 0.00 0.00 54.97 54.31 1ot4 s GLU 22 Cb -0.22 -2.07 0.02 0.00 0.26 0.00 0.00 34.13 32.12 1ot4 s GLU 22 CO 0.23 0.46 0.26 -0.51 -0.54 0.00 0.00 175.26 175.17 1ot4 s LEU 23 N -2.28 1.03 0.09 2.70 1.43 0.13 0.42 118.68 122.21 1ot4 s LEU 23 Ca 0.19 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1ot4 s LEU 23 Cb -0.10 1.03 -0.04 0.00 0.03 0.00 0.00 46.19 47.10 1ot4 s LEU 23 CO 0.10 -0.30 -0.05 -1.00 0.23 0.00 0.00 176.35 175.33 1ot4 s HIS 24 N -0.77 0.83 -0.24 0.29 3.76 0.25 -1.05 115.29 118.35 1ot4 s HIS 24 Ca -0.09 -0.96 -0.06 0.00 -0.15 0.00 0.00 55.06 53.80 1ot4 s HIS 24 Cb -0.04 -0.50 0.12 0.00 1.11 0.00 0.00 32.58 33.26 1ot4 s HIS 24 CO 0.02 -0.21 0.48 -0.06 -0.85 0.00 0.00 174.74 174.12 1ot4 s PHE 25 N -3.69 -0.99 -1.28 1.40 0.08 -0.84 -3.72 117.98 108.92 1ot4 s PHE 25 Ca 0.12 1.61 0.15 0.00 0.12 0.00 0.00 56.93 58.92 1ot4 s PHE 25 Cb 0.06 0.39 0.72 0.00 -0.57 0.00 0.00 43.02 43.62 1ot4 s PHE 25 CO -0.05 -0.60 1.44 0.45 -0.10 0.00 0.00 175.22 176.36 1ot4 n SER 26 N 5.40 0.00 -3.00 1.36 2.88 -1.26 -4.38 113.62 114.62 1ot4 n SER 26 Ca -0.08 0.22 0.04 0.00 -1.33 0.00 0.00 58.87 57.72 1ot4 n SER 26 Cb 0.50 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -2.72 0.11 0.00 -1.46 2.12 -1.26 -5.10 118.70 110.39 1ot4 s GLU 27 Ca 0.12 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.49 1ot4 s GLU 27 Cb 0.10 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.52 1ot4 s GLU 27 CO 0.24 -0.19 0.00 -1.71 -0.54 0.00 0.00 175.26 173.06 1ot4 n ASN 28 N 4.56 0.00 -3.80 -1.70 5.15 -1.26 -4.80 115.26 113.40 1ot4 n ASN 28 Ca 0.08 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.81 1ot4 n ASN 28 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 1ot4 n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ot4 n LEU 29 N -0.86 -1.79 -3.63 1.20 -0.00 -1.26 -4.02 117.00 106.63 1ot4 n LEU 29 Ca 0.00 -0.97 -0.16 0.00 -0.00 0.00 0.00 56.01 54.88 1ot4 n LEU 29 Cb 0.00 -1.59 -0.07 0.00 -0.00 0.00 0.00 43.42 41.76 1ot4 n LEU 29 CO 0.00 0.41 0.27 -0.69 -0.00 0.00 0.00 177.39 177.38 1ot4 s VAL 30 N -2.96 0.02 -0.14 1.47 1.01 -1.26 -4.71 120.40 113.83 1ot4 s VAL 30 Ca 0.01 -0.15 0.23 0.00 0.00 0.00 0.00 61.98 62.06 1ot4 s VAL 30 Cb -0.00 -0.83 0.46 0.00 0.00 0.00 0.00 36.38 36.01 1ot4 s VAL 30 CO 0.90 -0.08 1.15 1.07 0.00 0.00 0.00 175.10 178.14 1ot4 n THR 31 N 1.44 0.83 0.00 3.92 5.66 -1.26 -4.89 114.28 119.98 1ot4 n THR 31 Ca -0.19 -2.15 0.00 0.00 -3.05 0.00 0.00 64.05 58.67 1ot4 n THR 31 Cb 0.56 0.91 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 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 -0.14 0.00 -3.24 1.09 3.00 -1.26 -4.80 117.38 112.03 1ot4 n GLN 32 Ca 0.10 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.82 1ot4 n GLN 32 Cb 0.96 -0.22 -0.06 0.00 0.00 0.00 0.00 30.24 30.92 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 -0.33 3.19 -4.40 1.08 3.72 -1.26 -5.05 117.46 114.42 1ot4 n PHE 33 Ca 0.00 -4.03 -0.19 0.00 -0.05 0.00 0.00 57.45 53.18 1ot4 n PHE 33 Cb 0.00 -0.51 -0.15 0.00 -0.94 0.00 0.00 39.48 37.88 1ot4 n PHE 33 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1ot4 s SER 34 N -2.65 1.16 0.00 4.37 0.01 -1.26 -4.35 113.70 110.97 1ot4 s SER 34 Ca 0.42 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1ot4 s SER 34 Cb 0.20 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1ot4 s SER 34 CO -0.06 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1ot4 n GLY 35 N 2.76 -0.67 3.35 3.44 0.00 0.34 -4.96 105.19 109.47 1ot4 n GLY 35 Ca -0.14 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.15 -0.23 4.61 0.00 -1.26 -0.28 121.76 122.45 1ot4 s ALA 36 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 1ot4 s ALA 36 Cb 0.00 0.58 0.12 0.00 0.00 0.00 0.00 23.12 23.82 1ot4 s ALA 36 CO 0.00 -0.60 0.41 0.15 0.00 0.00 0.00 175.76 175.73 1ot4 s LYS 37 N -3.22 0.36 -0.04 0.00 1.02 0.16 -4.97 119.74 113.05 1ot4 s LYS 37 Ca -0.01 0.79 -0.23 0.00 0.02 0.00 0.00 55.97 56.55 1ot4 s LYS 37 Cb 0.00 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.22 1ot4 s LYS 37 CO -0.08 -0.47 0.67 -1.17 -0.92 0.00 0.00 175.35 173.38 1ot4 s LEU 38 N 2.60 4.36 -0.03 3.17 2.96 -1.26 -1.18 118.68 129.29 1ot4 s LEU 38 Ca 0.07 1.19 0.02 0.00 -0.22 0.00 0.00 54.13 55.19 1ot4 s LEU 38 Cb -0.14 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.53 1ot4 s LEU 38 CO -0.15 -0.03 -0.06 0.68 -1.32 0.00 0.00 176.35 175.47 1ot4 s VAL 39 N 0.42 0.57 -0.72 1.68 -7.23 -1.14 -1.07 120.40 112.90 1ot4 s VAL 39 Ca 0.35 -0.19 -0.20 0.00 -1.81 0.00 0.00 61.98 60.13 1ot4 s VAL 39 Cb -0.18 -0.55 0.11 0.00 0.56 0.00 0.00 36.38 36.32 1ot4 s VAL 39 CO 0.18 0.21 0.91 -0.32 -0.31 0.00 0.00 175.10 175.77 1ot4 s MET 40 N 0.56 3.26 -0.88 4.82 1.75 0.19 -1.18 119.30 127.81 1ot4 s MET 40 Ca -0.08 -1.35 0.01 0.00 -1.25 0.00 0.00 55.69 53.02 1ot4 s MET 40 Cb -0.11 -4.45 0.33 0.00 2.84 0.00 0.00 34.83 33.44 1ot4 s MET 40 CO 0.00 -1.69 1.54 -2.37 -0.65 0.00 0.00 175.02 171.85 1ot4 n THR 41 N 5.56 5.12 -0.77 10.11 5.66 -0.52 -3.31 114.28 136.14 1ot4 n THR 41 Ca 0.03 -5.86 -0.30 0.00 -3.05 0.00 0.00 64.05 54.87 1ot4 n THR 41 Cb 0.46 -1.51 0.11 0.00 -1.55 0.00 0.00 70.33 67.84 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 -0.11 -3.66 -0.98 1.79 0.00 -0.30 -4.60 120.51 112.65 1ot4 n ALA 42 Ca 0.42 -1.22 -0.31 0.00 0.00 0.00 0.00 53.44 52.33 1ot4 n ALA 42 Cb 0.30 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.14 0.00 -2.51 0.00 2.81 -1.26 -4.84 117.12 111.17 1ot4 n MET 43 Ca 0.00 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.50 1ot4 n MET 43 Cb 0.59 -0.80 -0.04 0.00 -0.71 0.00 0.00 33.22 32.25 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 -0.91 4.60 0.00 0.03 0.04 -1.26 -4.76 135.00 132.74 1ot4 s PRO 44 Ca 0.44 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1ot4 s PRO 44 Cb -0.37 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1ot4 s PRO 44 CO 0.55 0.20 0.00 0.41 0.04 0.00 0.00 177.00 178.20 1ot4 n GLY 45 N 1.12 -0.10 2.54 0.56 0.00 -1.26 -5.00 105.19 103.04 1ot4 n GLY 45 Ca -0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.60 4.91 -4.16 1.61 2.81 -1.26 -4.77 117.12 114.66 1ot4 n MET 46 Ca 0.00 -3.91 -0.36 0.00 -1.81 0.00 0.00 57.70 51.62 1ot4 n MET 46 Cb 0.00 -2.57 -0.05 0.00 -0.71 0.00 0.00 33.22 29.90 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 1.05 -0.64 -3.09 0.03 2.13 -1.26 -2.55 120.64 116.31 1ot4 n GLU 47 Ca 0.57 0.06 -0.05 0.00 0.66 0.00 0.00 57.16 58.39 1ot4 n GLU 47 Cb 0.25 -2.89 0.00 0.00 0.27 0.00 0.00 31.44 29.08 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 -4.60 -1.51 -3.50 4.31 1.44 -1.26 -4.95 115.22 105.14 1ot4 n HIS 48 Ca -0.22 0.66 -0.27 0.00 -2.01 0.00 0.00 57.72 55.88 1ot4 n HIS 48 Cb 0.60 -2.02 -0.09 0.00 0.12 0.00 0.00 29.99 28.60 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1ot4 n SER 49 N 0.90 1.64 -4.82 4.39 7.64 -1.06 -5.11 113.62 117.21 1ot4 n SER 49 Ca -0.00 -2.93 -0.31 0.00 1.01 0.00 0.00 58.87 56.64 1ot4 n SER 49 Cb 0.39 -0.66 0.06 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.23 2.68 0.00 1.43 0.04 -1.26 -4.97 135.00 131.68 1ot4 s PRO 50 Ca 0.33 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1ot4 s PRO 50 Cb 0.07 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ot4 s PRO 50 CO -0.13 -1.26 -0.02 -1.64 0.04 0.00 0.00 177.00 174.00 1ot4 s MET 51 N -5.08 0.13 0.30 4.56 -1.94 -1.21 -5.00 119.30 111.06 1ot4 s MET 51 Ca 0.59 -0.08 -0.27 0.00 -1.71 0.00 0.00 55.69 54.21 1ot4 s MET 51 Cb -0.14 -0.10 -0.10 0.00 2.01 0.00 0.00 34.83 36.50 1ot4 s MET 51 CO 0.55 0.03 0.95 0.00 -0.01 0.00 0.00 175.02 176.54 1ot4 s ALA 52 N -0.11 3.25 0.33 3.03 0.00 -1.26 -0.64 121.76 126.36 1ot4 s ALA 52 Ca -0.00 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.61 1ot4 s ALA 52 Cb -0.01 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1ot4 s ALA 52 CO -0.00 0.16 0.07 0.54 0.00 0.00 0.00 175.76 176.53 1ot4 s VAL 53 N -1.48 2.90 -0.06 0.00 0.11 -0.23 -4.89 120.40 116.74 1ot4 s VAL 53 Ca 0.48 -1.83 -0.24 0.00 -2.93 0.00 0.00 61.98 57.45 1ot4 s VAL 53 Cb -0.21 -2.89 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 1ot4 s VAL 53 CO 0.27 -0.21 0.75 -0.54 -3.33 0.00 0.00 175.10 172.04 1ot4 s LYS 54 N -3.78 4.45 0.32 1.54 1.02 -1.26 -4.60 119.74 117.43 1ot4 s LYS 54 Ca 0.36 0.96 -0.11 0.00 0.02 0.00 0.00 55.97 57.20 1ot4 s LYS 54 Cb -0.02 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 1ot4 s LYS 54 CO 0.21 0.03 0.59 0.00 -0.92 0.00 0.00 175.35 175.26 1ot4 s ALA 55 N 0.89 -0.18 0.03 5.17 0.00 -1.26 -3.86 121.76 122.55 1ot4 s ALA 55 Ca 0.40 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1ot4 s ALA 55 Cb -0.18 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1ot4 s ALA 55 CO 0.19 -0.89 -0.08 0.00 0.00 0.00 0.00 175.76 174.98 1ot4 s ALA 56 N -3.26 0.65 -0.22 0.00 0.00 -0.91 -4.85 121.76 113.17 1ot4 s ALA 56 Ca 0.22 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 1ot4 s ALA 56 Cb -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 1ot4 s ALA 56 CO 0.13 0.06 -0.07 0.14 0.00 0.00 0.00 175.76 176.03 1ot4 s VAL 57 N -0.90 3.16 0.49 0.00 -7.23 -1.26 -1.02 120.40 113.63 1ot4 s VAL 57 Ca -0.04 -0.59 0.05 0.00 -1.81 0.00 0.00 61.98 59.59 1ot4 s VAL 57 Cb -0.07 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 1ot4 s VAL 57 CO 0.00 0.42 0.19 -0.44 -0.31 0.00 0.00 175.10 174.97 1ot4 s SER 58 N 1.44 4.37 -0.01 4.85 0.01 0.26 -4.97 113.70 119.65 1ot4 s SER 58 Ca 0.05 -1.33 -0.06 0.00 1.31 0.00 0.00 55.95 55.92 1ot4 s SER 58 Cb -0.14 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1ot4 s SER 58 CO -0.05 -0.81 0.13 -0.83 0.41 0.00 0.00 173.24 172.09 1ot4 s GLY 59 N -4.01 0.01 -1.60 3.44 0.00 -1.26 -0.19 107.32 103.71 1ot4 s GLY 59 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 44.72 44.89 1ot4 s GLY 59 CO 0.16 -0.11 2.87 0.61 0.00 0.00 0.00 173.10 176.63 1ot4 n GLY 60 N 1.92 4.30 5.00 0.20 0.00 0.47 -4.69 105.19 112.39 1ot4 n GLY 60 Ca -0.20 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1ot4 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ot4 n GLY 61 N 3.57 1.20 3.86 -0.02 0.00 -1.26 -4.83 105.19 107.70 1ot4 n GLY 61 Ca 0.75 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 46.43 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 6.73 0.00 1.61 1.11 -1.26 -4.95 116.67 119.90 1ot4 s ASP 62 Ca 0.00 1.09 0.24 0.00 0.18 0.00 0.00 52.55 54.06 1ot4 s ASP 62 Cb 0.00 -2.29 1.37 0.00 1.07 0.00 0.00 42.92 43.07 1ot4 s ASP 62 CO 0.00 -0.08 1.78 -0.81 1.18 0.00 0.00 175.17 177.24 1ot4 n PRO 63 N -0.02 0.66 0.06 8.23 -0.04 -1.26 -2.61 135.00 140.02 1ot4 n PRO 63 Ca 0.00 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.29 1ot4 n PRO 63 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.29 -4.77 0.54 2.10 -1.92 -3.41 116.57 109.40 1ot4 h LYS 64 Ca 0.00 -0.49 -0.69 0.00 -2.00 0.00 0.00 60.65 57.47 1ot4 h LYS 64 Cb 0.04 0.18 -0.19 0.00 -0.90 0.00 0.00 32.23 31.37 1ot4 h LYS 64 CO 0.00 1.16 -0.35 0.99 -2.00 0.00 0.00 179.45 179.25 1ot4 s THR 65 N -2.60 5.20 0.11 0.07 2.01 -1.07 -1.99 115.64 117.36 1ot4 s THR 65 Ca -0.11 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.69 1ot4 s THR 65 Cb 0.06 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1ot4 s THR 65 CO 0.85 -0.19 -0.10 -0.32 -0.69 0.00 0.00 174.62 174.17 1ot4 s MET 66 N 1.89 2.11 -0.14 4.92 1.75 -0.22 -0.40 119.30 129.21 1ot4 s MET 66 Ca 0.09 -1.04 -0.04 0.00 -1.25 0.00 0.00 55.69 53.45 1ot4 s MET 66 Cb -0.17 -2.29 0.06 0.00 2.84 0.00 0.00 34.83 35.27 1ot4 s MET 66 CO 0.11 0.50 0.16 0.14 -0.65 0.00 0.00 175.02 175.28 1ot4 s VAL 67 N -1.24 -0.23 -0.10 10.11 -7.23 0.73 0.22 120.40 122.66 1ot4 s VAL 67 Ca 0.22 0.08 -0.21 0.00 -1.81 0.00 0.00 61.98 60.26 1ot4 s VAL 67 Cb -0.11 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 1ot4 s VAL 67 CO 0.14 -0.07 0.59 -0.63 -0.31 0.00 0.00 175.10 174.81 1ot4 s ILE 68 N 2.26 5.12 -0.19 -0.62 1.09 0.14 -0.57 121.20 128.43 1ot4 s ILE 68 Ca 0.04 1.19 -0.05 0.00 -1.10 0.00 0.00 60.65 60.74 1ot4 s ILE 68 Cb -0.14 -3.93 0.07 0.00 -1.06 0.00 0.00 42.46 37.40 1ot4 s ILE 68 CO -0.08 0.28 0.09 -0.89 -0.10 0.00 0.00 174.94 174.24 1ot4 s THR 69 N 0.78 -0.06 0.16 2.92 2.01 -0.19 -0.23 115.64 121.03 1ot4 s THR 69 Ca 0.31 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1ot4 s THR 69 Cb -0.16 -0.65 -0.07 0.00 0.01 0.00 0.00 72.50 71.62 1ot4 s THR 69 CO 0.14 -0.34 1.13 -2.16 -0.69 0.00 0.00 174.62 172.69 1ot4 s PRO 70 N 2.12 4.55 0.40 4.92 0.04 -1.26 -2.15 135.00 143.62 1ot4 s PRO 70 Ca 0.03 1.74 0.16 0.00 0.04 0.00 0.00 61.00 62.97 1ot4 s PRO 70 Cb -0.16 -3.29 0.85 0.00 0.04 0.00 0.00 34.50 31.94 1ot4 s PRO 70 CO -0.13 -0.00 1.86 0.00 0.04 0.00 0.00 177.00 178.77 1ot4 h ALA 71 N 5.41 1.35 -2.74 8.56 0.00 -1.89 -3.43 119.26 126.52 1ot4 h ALA 71 Ca -0.44 -0.29 -0.59 0.00 0.00 0.00 0.00 54.91 53.59 1ot4 h ALA 71 Cb 1.21 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1ot4 h ALA 71 CO 0.74 0.40 -0.34 0.45 0.00 0.00 0.00 179.25 180.50 1ot4 s SER 72 N -6.76 6.49 0.08 0.00 0.15 -1.26 -5.06 113.70 107.34 1ot4 s SER 72 Ca -0.03 0.56 -0.30 0.00 0.70 0.00 0.00 55.95 56.88 1ot4 s SER 72 Cb 0.14 -2.08 -0.06 0.00 -1.71 0.00 0.00 66.02 62.31 1ot4 s SER 72 CO 0.70 0.12 1.16 -2.16 1.20 0.00 0.00 173.24 174.25 1ot4 s PRO 73 N -2.39 4.48 -0.31 5.44 0.04 -1.26 -4.99 135.00 136.01 1ot4 s PRO 73 Ca 0.37 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1ot4 s PRO 73 Cb -0.13 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1ot4 s PRO 73 CO 0.23 -0.16 1.06 -0.51 0.04 0.00 0.00 177.00 177.66 1ot4 s LEU 74 N 0.70 3.96 0.61 -3.56 1.43 -1.26 -5.02 118.68 115.53 1ot4 s LEU 74 Ca 0.56 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.75 1ot4 s LEU 74 Cb -0.29 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.47 1ot4 s LEU 74 CO 0.31 -0.85 0.85 0.42 0.23 0.00 0.00 176.35 177.30 1ot4 s THR 75 N 3.58 2.46 1.07 5.49 -4.23 -1.26 -4.60 115.64 118.15 1ot4 s THR 75 Ca 0.45 -0.67 -0.19 0.00 -1.18 0.00 0.00 61.69 60.10 1ot4 s THR 75 Cb -0.13 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 70.97 1ot4 s THR 75 CO 0.14 0.00 -0.17 0.00 -0.54 0.00 0.00 174.62 174.06 1ot4 n ALA 76 N -2.49 -4.15 0.00 3.99 0.00 -1.26 -4.74 120.51 111.86 1ot4 n ALA 76 Ca 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1ot4 n ALA 76 Cb 0.60 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 2.19 0.31 2.80 0.00 0.00 0.01 -4.85 105.19 105.64 1ot4 n GLY 77 Ca 0.01 -2.05 -0.14 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 -0.25 -0.03 0.28 2.61 2.01 -1.26 -0.81 115.64 118.20 1ot4 s THR 78 Ca 0.00 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1ot4 s THR 78 Cb 0.00 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.39 1ot4 s THR 78 CO 0.00 0.07 0.11 -0.31 -0.69 0.00 0.00 174.62 173.80 1ot4 s TYR 79 N 0.80 1.60 -0.20 4.92 1.51 -0.55 -1.15 117.35 124.29 1ot4 s TYR 79 Ca -0.07 -1.22 -0.04 0.00 -1.01 0.00 0.00 57.07 54.74 1ot4 s TYR 79 Cb -0.10 -0.94 0.09 0.00 -0.11 0.00 0.00 41.96 40.91 1ot4 s TYR 79 CO -0.02 -0.35 0.26 0.21 -1.11 0.00 0.00 175.55 174.53 1ot4 s LYS 80 N -3.95 0.21 -0.32 -0.62 2.36 -0.32 -1.22 119.74 115.88 1ot4 s LYS 80 Ca 0.36 0.36 -0.25 0.00 -2.55 0.00 0.00 55.97 53.90 1ot4 s LYS 80 Cb 0.07 -0.87 0.01 0.00 -1.05 0.00 0.00 37.83 35.99 1ot4 s LYS 80 CO 0.15 -0.59 0.86 0.08 1.55 0.00 0.00 175.35 177.40 1ot4 s VAL 81 N 2.38 4.71 -0.34 4.02 1.01 0.84 -2.90 120.40 130.11 1ot4 s VAL 81 Ca 0.07 1.26 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 1ot4 s VAL 81 Cb -0.15 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 1ot4 s VAL 81 CO -0.12 -0.35 0.31 -1.81 0.00 0.00 0.00 175.10 173.13 1ot4 s ASP 82 N 1.68 6.13 0.22 3.32 1.11 -0.33 0.37 116.67 129.17 1ot4 s ASP 82 Ca 0.36 -0.33 0.08 0.00 0.18 0.00 0.00 52.55 52.83 1ot4 s ASP 82 Cb -0.13 -2.17 -0.04 0.00 1.07 0.00 0.00 42.92 41.64 1ot4 s ASP 82 CO 0.14 -0.30 0.05 -1.66 1.18 0.00 0.00 175.17 174.58 1ot4 s TRP 83 N 1.89 2.88 -0.06 4.23 1.48 0.14 0.40 118.94 129.89 1ot4 s TRP 83 Ca 0.09 -0.15 -0.03 0.00 -1.06 0.00 0.00 56.10 54.95 1ot4 s TRP 83 Cb -0.17 -1.33 0.04 0.00 -1.16 0.00 0.00 33.47 30.85 1ot4 s TRP 83 CO 0.11 0.56 0.13 1.03 -4.06 0.00 0.00 176.95 174.72 1ot4 s ARG 84 N -3.43 0.07 0.37 3.25 0.52 0.61 0.07 118.95 120.41 1ot4 s ARG 84 Ca 0.30 0.37 0.07 0.00 -0.52 0.00 0.00 55.73 55.96 1ot4 s ARG 84 Cb -0.08 -0.20 -0.07 0.00 0.52 0.00 0.00 34.95 35.12 1ot4 s ARG 84 CO 0.21 -0.18 -0.01 0.00 0.02 0.00 0.00 175.30 175.33 1ot4 s ALA 85 N 1.29 2.93 -0.21 2.13 0.00 0.96 -0.50 121.76 128.37 1ot4 s ALA 85 Ca -0.08 -2.19 -0.11 0.00 0.00 0.00 0.00 51.96 49.58 1ot4 s ALA 85 Cb -0.12 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.26 1ot4 s ALA 85 CO -0.06 -0.10 0.50 0.08 0.00 0.00 0.00 175.76 176.19 1ot4 s VAL 86 N -2.80 -0.10 0.97 0.00 1.01 -1.26 -0.21 120.40 118.02 1ot4 s VAL 86 Ca 0.34 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1ot4 s VAL 86 Cb 0.08 -0.74 0.17 0.00 0.00 0.00 0.00 36.38 35.89 1ot4 s VAL 86 CO 0.17 0.03 1.09 -0.55 0.00 0.00 0.00 175.10 175.84 1ot4 s SER 87 N 1.62 2.83 -1.42 3.32 0.15 -1.26 -4.61 113.70 114.33 1ot4 s SER 87 Ca -0.09 1.29 -0.10 0.00 0.70 0.00 0.00 55.95 57.75 1ot4 s SER 87 Cb -0.08 -1.96 0.06 0.00 -1.71 0.00 0.00 66.02 62.33 1ot4 s SER 87 CO -0.15 -3.01 2.32 -1.20 1.20 0.00 0.00 173.24 172.40 1ot4 n SER 88 N -4.11 6.03 0.00 5.45 7.64 -1.26 -4.05 113.62 123.32 1ot4 n SER 88 Ca 0.06 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 57.03 1ot4 n SER 88 Cb 0.57 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ot4 n ASP 89 N 4.14 0.00 -1.43 6.43 -0.08 -1.26 -5.16 116.55 119.18 1ot4 n ASP 89 Ca 0.56 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1ot4 n ASP 89 Cb 0.32 0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1ot4 n ASP 89 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1ot4 n THR 90 N -1.57 0.00 -2.04 5.18 5.66 -1.26 -5.13 114.28 115.12 1ot4 n THR 90 Ca 0.00 -0.05 -0.01 0.00 -3.05 0.00 0.00 64.05 60.94 1ot4 n THR 90 Cb 0.00 0.10 -0.01 0.00 -1.55 0.00 0.00 70.33 68.87 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 -0.14 -3.29 -1.86 1.09 8.25 -1.26 -4.34 115.22 113.67 1ot4 n HIS 91 Ca 0.00 1.95 -0.32 0.00 -0.26 0.00 0.00 57.72 59.09 1ot4 n HIS 91 Cb 0.09 -3.26 0.02 0.00 1.12 0.00 0.00 29.99 27.97 1ot4 n HIS 91 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1ot4 s PRO 92 N -0.96 3.20 -0.01 -0.41 0.04 -1.26 -4.20 135.00 131.40 1ot4 s PRO 92 Ca -0.07 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.06 1ot4 s PRO 92 Cb 0.00 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 1ot4 s PRO 92 CO 0.18 -0.90 -0.07 0.42 0.04 0.00 0.00 177.00 176.67 1ot4 s ILE 93 N -2.74 0.61 0.40 0.56 1.09 0.71 -4.94 121.20 116.88 1ot4 s ILE 93 Ca 0.61 -0.30 0.05 0.00 -1.10 0.00 0.00 60.65 59.91 1ot4 s ILE 93 Cb -0.15 -0.53 -0.06 0.00 -1.06 0.00 0.00 42.46 40.66 1ot4 s ILE 93 CO 0.45 0.19 0.03 0.42 -0.10 0.00 0.00 174.94 175.93 1ot4 s THR 94 N 0.03 1.51 -0.18 2.92 -4.23 -1.26 -0.03 115.64 114.40 1ot4 s THR 94 Ca -0.00 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.17 1ot4 s THR 94 Cb -0.05 -2.74 0.14 0.00 1.34 0.00 0.00 72.50 71.18 1ot4 s THR 94 CO -0.00 0.00 1.18 -0.83 -0.54 0.00 0.00 174.62 174.43 1ot4 s GLY 95 N -3.67 -0.29 0.04 3.99 0.00 0.11 -3.96 107.32 103.54 1ot4 s GLY 95 Ca 0.29 1.62 -0.04 0.00 0.00 0.00 0.00 44.72 46.59 1ot4 s GLY 95 CO 0.14 0.56 0.06 -0.56 0.00 0.00 0.00 173.10 173.30 1ot4 s SER 96 N -2.12 0.23 -0.21 1.64 0.01 -1.26 0.26 113.70 112.25 1ot4 s SER 96 Ca 0.09 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.71 1ot4 s SER 96 Cb -0.01 0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.51 1ot4 s SER 96 CO -0.05 -0.50 0.15 -0.69 0.41 0.00 0.00 173.24 172.57 1ot4 s VAL 97 N -2.66 -0.18 0.02 3.43 1.01 0.16 -4.94 120.40 117.24 1ot4 s VAL 97 Ca -0.05 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 1ot4 s VAL 97 Cb -0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.59 1ot4 s VAL 97 CO -0.05 -0.37 0.54 0.28 0.00 0.00 0.00 175.10 175.50 1ot4 s THR 98 N 2.20 4.87 -0.05 3.92 -1.32 -1.26 -0.11 115.64 123.89 1ot4 s THR 98 Ca 0.05 1.14 -0.13 0.00 -1.21 0.00 0.00 61.69 61.54 1ot4 s THR 98 Cb -0.16 -3.87 0.02 0.00 -1.51 0.00 0.00 72.50 66.99 1ot4 s THR 98 CO -0.18 0.50 0.31 0.72 -2.21 0.00 0.00 174.62 173.76 1ot4 s PHE 99 N -0.70 -0.23 0.29 9.09 -0.12 -0.35 0.48 117.98 126.43 1ot4 s PHE 99 Ca 0.28 0.46 0.06 0.00 -0.05 0.00 0.00 56.93 57.69 1ot4 s PHE 99 Cb -0.18 0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 1ot4 s PHE 99 CO 0.17 -0.31 0.35 0.15 -0.05 0.00 0.00 175.22 175.53 1ot4 s LYS 100 N -0.80 3.12 -0.05 1.99 1.02 0.14 -1.48 119.74 123.68 1ot4 s LYS 100 Ca -0.09 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 54.90 1ot4 s LYS 100 Cb -0.04 -2.73 0.03 0.00 -0.52 0.00 0.00 37.83 34.56 1ot4 s LYS 100 CO 0.03 0.26 0.04 0.08 -0.92 0.00 0.00 175.35 174.84 1ot4 s VAL 101 N -2.12 0.03 -0.72 3.17 1.01 0.01 -3.34 120.40 118.44 1ot4 s VAL 101 Ca 0.38 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.76 1ot4 s VAL 101 Cb -0.08 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 36.08 1ot4 s VAL 101 CO 0.28 0.20 0.68 0.29 0.00 0.00 0.00 175.10 176.56