#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 -0.03 -3.68 1.57 -0.04 -1.26 -5.10 135.00 126.47 1ot4 n PRO 2 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1ot4 n PRO 2 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 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 -2.06 0.33 -0.35 0.54 2.47 -1.26 -5.09 119.74 114.32 1ot4 s LYS 3 Ca 0.00 0.87 -0.28 0.00 -1.56 0.00 0.00 55.97 55.00 1ot4 s LYS 3 Cb 0.00 0.11 -0.01 0.00 -1.46 0.00 0.00 37.83 36.47 1ot4 s LYS 3 CO 0.00 -0.21 1.69 -1.17 0.16 0.00 0.00 175.35 175.82 1ot4 s LEU 4 N 1.98 3.53 0.00 5.43 1.98 -1.26 -4.90 118.68 125.44 1ot4 s LEU 4 Ca -0.05 1.17 0.00 0.00 -2.89 0.00 0.00 54.13 52.36 1ot4 s LEU 4 Cb -0.10 -3.52 0.00 0.00 0.66 0.00 0.00 46.19 43.23 1ot4 s LEU 4 CO -0.12 -1.63 0.97 0.52 -1.89 0.00 0.00 176.35 174.20 1ot4 n VAL 5 N 7.32 0.00 -3.61 1.68 0.31 -1.26 -4.85 118.33 117.93 1ot4 n VAL 5 Ca 0.21 1.47 -0.16 0.00 -0.01 0.00 0.00 64.34 65.85 1ot4 n VAL 5 Cb 0.47 -2.19 -0.07 0.00 -0.91 0.00 0.00 33.84 31.14 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 -2.56 -0.49 0.24 4.52 0.01 -1.22 -5.05 113.70 109.14 1ot4 s SER 6 Ca 0.00 0.48 -0.19 0.00 1.31 0.00 0.00 55.95 57.55 1ot4 s SER 6 Cb 0.00 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.71 1ot4 s SER 6 CO 0.00 -0.56 0.61 -0.94 0.41 0.00 0.00 173.24 172.77 1ot4 s SER 7 N -1.26 -0.27 -0.36 2.44 1.04 -1.26 0.11 113.70 114.14 1ot4 s SER 7 Ca -0.12 -0.54 0.14 0.00 0.48 0.00 0.00 55.95 55.90 1ot4 s SER 7 Cb -0.02 0.65 0.38 0.00 0.10 0.00 0.00 66.02 67.13 1ot4 s SER 7 CO 0.08 -1.19 0.82 0.41 0.98 0.00 0.00 173.24 174.34 1ot4 n THR 8 N -0.40 0.21 0.00 2.02 -1.04 0.17 -4.91 114.28 110.32 1ot4 n THR 8 Ca -0.07 -3.96 0.00 0.00 -2.04 0.00 0.00 64.05 57.98 1ot4 n THR 8 Cb 0.61 0.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 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 0.16 0.00 -2.00 -2.82 -0.04 -1.10 -1.30 135.00 127.91 1ot4 n PRO 9 Ca 0.19 0.38 -0.01 0.00 -0.04 0.00 0.00 63.50 64.02 1ot4 n PRO 9 Cb 0.71 -1.01 0.01 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.65 -1.48 -1.29 0.55 0.00 -1.26 -4.49 120.51 110.89 1ot4 n ALA 10 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 53.44 52.80 1ot4 n ALA 10 Cb 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.35 0.00 -3.65 0.00 1.02 -1.26 0.76 120.64 117.16 1ot4 n GLU 11 Ca -0.10 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.77 1ot4 n GLU 11 Cb 0.59 -1.32 -0.05 0.00 -0.02 0.00 0.00 31.44 30.65 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 5.81 -0.39 3.55 0.62 0.00 0.17 -4.74 105.19 110.21 1ot4 n GLY 12 Ca 0.57 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.65 5.29 -0.25 1.61 0.01 0.23 -4.70 113.70 113.25 1ot4 s SER 13 Ca 0.52 0.35 -0.08 0.00 1.31 0.00 0.00 55.95 58.06 1ot4 s SER 13 Cb -0.31 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.36 1ot4 s SER 13 CO 0.64 -2.36 0.08 -1.61 0.41 0.00 0.00 173.24 170.40 1ot4 s GLU 14 N 6.99 3.69 0.00 12.44 2.02 -1.26 -0.22 118.70 142.36 1ot4 s GLU 14 Ca 0.67 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1ot4 s GLU 14 Cb -0.13 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1ot4 s GLU 14 CO 0.21 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.73 1ot4 n GLY 15 N 4.89 2.49 3.64 -1.39 0.00 -1.22 -4.95 105.19 108.65 1ot4 n GLY 15 Ca -0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 1ot4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 s ALA 16 N 0.00 -2.00 0.16 4.61 0.00 -1.23 -0.86 121.76 122.44 1ot4 s ALA 16 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1ot4 s ALA 16 Cb 0.00 0.37 -0.07 0.00 0.00 0.00 0.00 23.12 23.42 1ot4 s ALA 16 CO 0.00 -0.94 0.98 0.00 0.00 0.00 0.00 175.76 175.80 1ot4 s ALA 17 N -2.75 3.29 0.37 0.00 0.00 -1.26 -4.63 121.76 116.78 1ot4 s ALA 17 Ca 0.12 0.63 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 1ot4 s ALA 17 Cb 0.01 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 1ot4 s ALA 17 CO -0.03 0.01 1.06 -1.25 0.00 0.00 0.00 175.76 175.56 1ot4 s PRO 18 N -0.41 4.27 0.18 0.00 0.04 -1.26 -4.95 135.00 132.87 1ot4 s PRO 18 Ca 0.46 1.58 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1ot4 s PRO 18 Cb -0.25 -2.69 0.11 0.00 0.04 0.00 0.00 34.50 31.71 1ot4 s PRO 18 CO 0.31 -0.06 1.61 0.00 0.04 0.00 0.00 177.00 178.90 1ot4 h ALA 19 N 2.80 -0.00 -2.31 8.56 0.00 -1.95 -3.44 119.26 122.92 1ot4 h ALA 19 Ca -0.48 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1ot4 h ALA 19 Cb 1.21 0.63 -0.18 0.00 0.00 0.00 0.00 17.79 19.45 1ot4 h ALA 19 CO 0.63 -0.63 -0.01 -1.59 0.00 0.00 0.00 179.25 177.65 1ot4 s LYS 20 N -6.07 0.93 0.24 0.00 0.00 -1.26 -4.78 119.74 108.81 1ot4 s LYS 20 Ca -0.15 -0.04 -0.21 0.00 0.00 0.00 0.00 55.97 55.58 1ot4 s LYS 20 Cb 0.15 0.43 -0.09 0.00 0.00 0.00 0.00 37.83 38.32 1ot4 s LYS 20 CO 0.69 -0.30 0.77 0.42 0.00 0.00 0.00 175.35 176.94 1ot4 s ILE 21 N -1.63 4.50 0.14 3.79 1.09 0.70 -4.84 121.20 124.95 1ot4 s ILE 21 Ca -0.10 1.39 0.11 0.00 -1.10 0.00 0.00 60.65 60.95 1ot4 s ILE 21 Cb -0.02 -3.89 -0.04 0.00 -1.06 0.00 0.00 42.46 37.45 1ot4 s ILE 21 CO 0.05 0.19 -0.27 -1.61 -0.10 0.00 0.00 174.94 173.21 1ot4 s GLU 22 N -1.99 1.41 -0.07 2.79 2.02 -0.42 0.30 118.70 122.73 1ot4 s GLU 22 Ca 0.44 -1.37 -0.11 0.00 0.02 0.00 0.00 54.97 53.96 1ot4 s GLU 22 Cb -0.17 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.20 1ot4 s GLU 22 CO 0.21 0.44 0.28 -0.51 0.02 0.00 0.00 175.26 175.71 1ot4 s LEU 23 N -2.13 0.93 0.07 1.80 1.43 0.66 0.43 118.68 121.88 1ot4 s LEU 23 Ca 0.15 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1ot4 s LEU 23 Cb -0.10 1.05 -0.03 0.00 0.03 0.00 0.00 46.19 47.14 1ot4 s LEU 23 CO 0.06 -0.22 -0.07 -1.00 0.23 0.00 0.00 176.35 175.35 1ot4 s HIS 24 N -0.39 0.78 -0.28 0.29 3.76 0.29 -0.66 115.29 119.08 1ot4 s HIS 24 Ca -0.05 -0.72 0.01 0.00 -0.15 0.00 0.00 55.06 54.15 1ot4 s HIS 24 Cb -0.03 -0.46 0.17 0.00 1.11 0.00 0.00 32.58 33.36 1ot4 s HIS 24 CO 0.02 -0.12 0.47 -0.06 -0.85 0.00 0.00 174.74 174.19 1ot4 s PHE 25 N -2.53 -1.22 -1.17 1.40 0.40 -1.04 -3.45 117.98 110.37 1ot4 s PHE 25 Ca 0.01 0.89 0.13 0.00 -0.60 0.00 0.00 56.93 57.36 1ot4 s PHE 25 Cb -0.02 0.13 0.59 0.00 0.51 0.00 0.00 43.02 44.23 1ot4 s PHE 25 CO -0.02 -0.90 1.38 0.45 0.70 0.00 0.00 175.22 176.83 1ot4 n SER 26 N 5.38 0.00 0.00 1.36 2.88 -1.26 -3.54 113.62 118.44 1ot4 n SER 26 Ca -0.00 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1ot4 n SER 26 Cb 0.51 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.42 0.00 0.00 -1.46 -0.58 -1.26 -5.07 120.64 110.85 1ot4 n GLU 27 Ca 0.04 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1ot4 n GLU 27 Cb 0.13 -0.70 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 1ot4 n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ot4 n ASN 28 N -1.93 0.00 -2.83 1.62 4.05 -1.23 -5.05 115.26 109.89 1ot4 n ASN 28 Ca 0.00 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.70 1ot4 n ASN 28 Cb 0.00 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.02 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1ot4 n LEU 29 N 0.00 6.05 -4.55 1.20 0.00 -1.22 -3.96 117.00 114.52 1ot4 n LEU 29 Ca 0.00 -5.15 -0.37 0.00 0.00 0.00 0.00 56.01 50.49 1ot4 n LEU 29 Cb 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 43.42 42.70 1ot4 n LEU 29 CO 0.00 2.05 0.32 0.52 0.00 0.00 0.00 177.39 180.29 1ot4 n VAL 30 N -0.43 2.75 -2.45 1.96 0.31 -1.16 -4.59 118.33 114.72 1ot4 n VAL 30 Ca 0.45 -0.44 -0.41 0.00 -0.01 0.00 0.00 64.34 63.93 1ot4 n VAL 30 Cb 0.42 -0.94 0.01 0.00 -0.91 0.00 0.00 33.84 32.42 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 -2.11 5.76 -0.10 2.52 5.66 -1.26 -4.41 114.28 120.34 1ot4 n THR 31 Ca 0.12 -5.42 -0.14 0.00 -3.05 0.00 0.00 64.05 55.57 1ot4 n THR 31 Cb 0.49 -1.77 -0.05 0.00 -1.55 0.00 0.00 70.33 67.45 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 0.69 0.54 -1.17 1.09 -0.06 -1.26 -4.80 117.38 112.40 1ot4 n GLN 32 Ca 0.51 0.27 0.03 0.00 -2.00 0.00 0.00 57.00 55.81 1ot4 n GLN 32 Cb 0.26 -1.49 0.03 0.00 -4.06 0.00 0.00 30.24 24.98 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1ot4 n PHE 33 N -4.43 0.00 -3.10 3.69 3.72 -1.26 -5.09 117.46 110.99 1ot4 n PHE 33 Ca -0.23 -0.43 -0.35 0.00 -0.05 0.00 0.00 57.45 56.40 1ot4 n PHE 33 Cb 0.58 -0.13 -0.06 0.00 -0.94 0.00 0.00 39.48 38.93 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 -1.81 6.95 0.00 4.37 0.01 -1.26 -4.64 113.70 117.32 1ot4 s SER 34 Ca 0.25 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1ot4 s SER 34 Cb 0.29 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1ot4 s SER 34 CO -0.12 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1ot4 n GLY 35 N 0.25 0.86 3.33 3.44 0.00 0.99 -4.98 105.19 109.07 1ot4 n GLY 35 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 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 1.83 -0.24 4.61 0.00 -1.26 0.48 121.76 125.19 1ot4 s ALA 36 Ca 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 51.96 50.18 1ot4 s ALA 36 Cb 0.00 0.23 0.10 0.00 0.00 0.00 0.00 23.12 23.45 1ot4 s ALA 36 CO 0.00 -0.13 0.51 0.15 0.00 0.00 0.00 175.76 176.29 1ot4 s LYS 37 N -3.77 0.43 -0.03 0.00 1.02 0.16 -4.89 119.74 112.66 1ot4 s LYS 37 Ca 0.24 1.19 -0.19 0.00 0.02 0.00 0.00 55.97 57.24 1ot4 s LYS 37 Cb 0.03 0.52 -0.05 0.00 -0.52 0.00 0.00 37.83 37.81 1ot4 s LYS 37 CO 0.07 -0.23 0.52 -1.17 -0.92 0.00 0.00 175.35 173.62 1ot4 s LEU 38 N 2.66 4.40 -0.05 3.17 2.96 -1.26 -0.96 118.68 129.60 1ot4 s LEU 38 Ca -0.04 1.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1ot4 s LEU 38 Cb -0.12 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.79 1ot4 s LEU 38 CO -0.15 0.14 -0.12 0.68 -1.32 0.00 0.00 176.35 175.58 1ot4 s VAL 39 N -0.25 1.06 -0.74 1.68 -7.23 -0.83 -0.25 120.40 113.83 1ot4 s VAL 39 Ca 0.28 -0.46 -0.20 0.00 -1.81 0.00 0.00 61.98 59.80 1ot4 s VAL 39 Cb -0.17 -0.96 0.11 0.00 0.56 0.00 0.00 36.38 35.92 1ot4 s VAL 39 CO 0.15 0.33 0.93 -0.32 -0.31 0.00 0.00 175.10 175.88 1ot4 s MET 40 N 0.52 3.28 -0.87 4.82 1.75 0.38 -0.67 119.30 128.52 1ot4 s MET 40 Ca -0.11 -1.38 0.01 0.00 -1.25 0.00 0.00 55.69 52.96 1ot4 s MET 40 Cb -0.14 -4.48 0.33 0.00 2.84 0.00 0.00 34.83 33.38 1ot4 s MET 40 CO 0.03 -1.69 1.52 -2.37 -0.65 0.00 0.00 175.02 171.85 1ot4 n THR 41 N 5.56 5.02 0.00 10.11 5.66 -0.65 -2.94 114.28 137.04 1ot4 n THR 41 Ca 0.05 -5.83 -0.10 0.00 -3.05 0.00 0.00 64.05 55.12 1ot4 n THR 41 Cb 0.46 -1.49 -0.03 0.00 -1.55 0.00 0.00 70.33 67.71 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 3.76 -0.25 -2.51 1.79 0.00 -1.58 -3.43 119.26 117.05 1ot4 h ALA 42 Ca 0.40 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 1ot4 h ALA 42 Cb 0.38 0.50 -0.16 0.00 0.00 0.00 0.00 17.79 18.52 1ot4 h ALA 42 CO 1.06 -0.72 -0.45 -1.64 0.00 0.00 0.00 179.25 177.50 1ot4 s MET 43 N -6.06 0.73 0.00 0.00 -1.94 -1.26 -4.60 119.30 106.16 1ot4 s MET 43 Ca -0.15 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 1ot4 s MET 43 Cb 0.11 0.29 0.00 0.00 2.01 0.00 0.00 34.83 37.24 1ot4 s MET 43 CO 0.67 -0.21 0.00 -0.35 -0.01 0.00 0.00 175.02 175.12 1ot4 n PRO 44 N 0.31 -0.03 0.00 2.03 -0.04 -1.26 -4.85 135.00 131.16 1ot4 n PRO 44 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ot4 n PRO 44 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 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 3.72 -0.41 2.66 0.55 0.00 -1.26 -4.95 105.19 105.50 1ot4 n GLY 45 Ca 0.00 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 1.28 -3.66 1.61 2.81 -1.26 -4.94 117.12 112.96 1ot4 n MET 46 Ca 0.00 -4.00 -0.32 0.00 -1.81 0.00 0.00 57.70 51.57 1ot4 n MET 46 Cb 0.00 -2.03 0.02 0.00 -0.71 0.00 0.00 33.22 30.50 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 2.15 -1.74 -2.78 0.03 0.00 -1.26 -3.81 120.64 113.23 1ot4 n GLU 47 Ca 0.24 1.09 -0.00 0.00 0.00 0.00 0.00 57.16 58.49 1ot4 n GLU 47 Cb 0.41 -2.15 -0.00 0.00 0.00 0.00 0.00 31.44 29.69 1ot4 n GLU 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1ot4 n HIS 48 N -1.43 -3.55 -3.61 4.31 -0.00 -1.26 -4.98 115.22 104.70 1ot4 n HIS 48 Ca -0.21 1.58 -0.27 0.00 -0.00 0.00 0.00 57.72 58.82 1ot4 n HIS 48 Cb 0.69 -3.67 -0.10 0.00 -0.00 0.00 0.00 29.99 26.91 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ot4 n SER 49 N 0.79 2.40 -4.80 0.26 2.88 -1.25 -5.03 113.62 108.88 1ot4 n SER 49 Ca -0.00 -3.10 -0.33 0.00 -1.33 0.00 0.00 58.87 54.11 1ot4 n SER 49 Cb 0.06 -0.69 -0.02 0.00 -0.75 0.00 0.00 64.21 62.82 1ot4 n SER 49 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ot4 s PRO 50 N -1.50 3.66 -0.24 -1.46 0.04 -1.26 -4.87 135.00 129.36 1ot4 s PRO 50 Ca 0.32 1.29 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1ot4 s PRO 50 Cb 0.05 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1ot4 s PRO 50 CO -0.12 -0.54 0.00 -1.64 0.04 0.00 0.00 177.00 174.74 1ot4 s MET 51 N -3.54 3.37 0.53 4.56 -1.94 -1.15 -4.94 119.30 116.19 1ot4 s MET 51 Ca 0.66 -0.65 -0.20 0.00 -1.71 0.00 0.00 55.69 53.79 1ot4 s MET 51 Cb -0.16 -3.14 -0.06 0.00 2.01 0.00 0.00 34.83 33.48 1ot4 s MET 51 CO 0.26 -0.25 1.13 0.00 -0.01 0.00 0.00 175.02 176.15 1ot4 s ALA 52 N 1.51 2.73 0.47 3.03 0.00 -1.26 0.14 121.76 128.38 1ot4 s ALA 52 Ca 0.05 0.84 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1ot4 s ALA 52 Cb -0.15 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1ot4 s ALA 52 CO -0.01 -0.75 0.02 0.54 0.00 0.00 0.00 175.76 175.56 1ot4 s VAL 53 N -1.74 1.53 -0.32 0.00 0.11 0.66 -4.79 120.40 115.85 1ot4 s VAL 53 Ca 0.72 -1.98 -0.12 0.00 -2.93 0.00 0.00 61.98 57.66 1ot4 s VAL 53 Cb -0.24 -2.52 -0.03 0.00 -1.53 0.00 0.00 36.38 32.06 1ot4 s VAL 53 CO 0.28 0.00 0.22 -0.54 -3.33 0.00 0.00 175.10 171.73 1ot4 s LYS 54 N -3.82 3.64 0.28 1.54 1.02 -1.26 -4.66 119.74 116.47 1ot4 s LYS 54 Ca 0.19 -0.54 -0.08 0.00 0.02 0.00 0.00 55.97 55.56 1ot4 s LYS 54 Cb 0.05 -3.75 -0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1ot4 s LYS 54 CO 0.10 -0.36 0.44 0.00 -0.92 0.00 0.00 175.35 174.61 1ot4 s ALA 55 N 1.73 0.27 0.01 5.17 0.00 -1.26 -2.60 121.76 125.07 1ot4 s ALA 55 Ca 0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1ot4 s ALA 55 Cb -0.17 1.13 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 1ot4 s ALA 55 CO 0.11 -0.80 0.03 0.00 0.00 0.00 0.00 175.76 175.09 1ot4 s ALA 56 N -3.66 -0.03 -0.23 0.00 0.00 -0.83 -4.84 121.76 112.17 1ot4 s ALA 56 Ca 0.27 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 1ot4 s ALA 56 Cb 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1ot4 s ALA 56 CO 0.13 -0.15 0.13 0.54 0.00 0.00 0.00 175.76 176.42 1ot4 s VAL 57 N -1.16 5.15 -0.03 0.00 0.11 -1.26 -1.10 120.40 122.11 1ot4 s VAL 57 Ca -0.13 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1ot4 s VAL 57 Cb -0.08 -3.39 0.02 0.00 -1.53 0.00 0.00 36.38 31.41 1ot4 s VAL 57 CO -0.00 0.37 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.68 1ot4 s SER 58 N 0.97 0.58 0.72 3.54 0.01 0.49 -4.99 113.70 115.02 1ot4 s SER 58 Ca 0.07 -0.06 -0.11 0.00 1.31 0.00 0.00 55.95 57.15 1ot4 s SER 58 Cb -0.13 -0.27 0.02 0.00 0.21 0.00 0.00 66.02 65.85 1ot4 s SER 58 CO 0.04 -0.07 1.07 -0.83 0.41 0.00 0.00 173.24 173.86 1ot4 s GLY 59 N 0.83 1.66 -0.65 3.44 0.00 -1.26 0.43 107.32 111.77 1ot4 s GLY 59 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.60 1ot4 s GLY 59 CO -0.01 0.33 2.26 0.61 0.00 0.00 0.00 173.10 176.30 1ot4 n GLY 60 N -2.07 5.08 1.76 0.20 0.00 0.69 -4.74 105.19 106.11 1ot4 n GLY 60 Ca 0.07 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.07 2.22 3.89 -0.02 0.00 -1.26 -4.95 105.19 105.00 1ot4 n GLY 61 Ca 0.52 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 6.43 0.00 1.61 1.01 -1.26 -4.97 116.67 119.48 1ot4 s ASP 62 Ca 0.00 0.45 0.23 0.00 0.71 0.00 0.00 52.55 53.95 1ot4 s ASP 62 Cb 0.00 -2.05 1.30 0.00 1.01 0.00 0.00 42.92 43.18 1ot4 s ASP 62 CO 0.00 0.27 1.77 -0.81 0.21 0.00 0.00 175.17 176.61 1ot4 n PRO 63 N 1.12 0.55 -0.01 8.23 -0.04 -1.26 -2.11 135.00 141.49 1ot4 n PRO 63 Ca -0.12 0.03 0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1ot4 n PRO 63 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.13 0.62 -3.68 0.54 2.85 -1.26 -3.46 118.16 112.64 1ot4 n LYS 64 Ca 0.15 -0.19 -0.39 0.00 -1.05 0.00 0.00 58.31 56.83 1ot4 n LYS 64 Cb 0.13 -1.49 -0.12 0.00 -0.65 0.00 0.00 35.03 32.90 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 -3.43 4.23 0.10 0.58 2.01 -0.90 -2.50 115.64 115.74 1ot4 s THR 65 Ca -0.07 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1ot4 s THR 65 Cb 0.13 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1ot4 s THR 65 CO 0.86 -0.12 0.19 -0.32 -0.69 0.00 0.00 174.62 174.54 1ot4 s MET 66 N 1.51 3.24 -0.14 4.92 1.75 0.16 -0.22 119.30 130.52 1ot4 s MET 66 Ca 0.01 -0.60 -0.04 0.00 -1.25 0.00 0.00 55.69 53.82 1ot4 s MET 66 Cb -0.19 -2.90 0.07 0.00 2.84 0.00 0.00 34.83 34.66 1ot4 s MET 66 CO 0.05 0.56 0.21 0.08 -0.65 0.00 0.00 175.02 175.26 1ot4 s VAL 67 N -1.58 -0.32 -0.18 10.11 1.01 0.17 -0.25 120.40 129.37 1ot4 s VAL 67 Ca 0.33 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 1ot4 s VAL 67 Cb -0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1ot4 s VAL 67 CO 0.26 -0.01 0.66 -0.63 0.00 0.00 0.00 175.10 175.38 1ot4 s ILE 68 N 2.33 5.01 -0.23 2.22 1.09 0.15 -0.38 121.20 131.40 1ot4 s ILE 68 Ca 0.04 1.26 -0.00 0.00 -1.10 0.00 0.00 60.65 60.85 1ot4 s ILE 68 Cb -0.14 -3.97 0.06 0.00 -1.06 0.00 0.00 42.46 37.35 1ot4 s ILE 68 CO -0.09 0.13 -0.01 -0.89 -0.10 0.00 0.00 174.94 173.97 1ot4 s THR 69 N 1.76 1.17 0.18 2.92 2.01 -0.26 -0.21 115.64 123.20 1ot4 s THR 69 Ca 0.31 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1ot4 s THR 69 Cb -0.16 -1.55 -0.08 0.00 0.01 0.00 0.00 72.50 70.72 1ot4 s THR 69 CO 0.11 -0.19 1.12 -2.16 -0.69 0.00 0.00 174.62 172.81 1ot4 s PRO 70 N 1.55 4.57 0.31 4.92 0.04 -1.26 -1.96 135.00 143.17 1ot4 s PRO 70 Ca -0.03 1.75 0.12 0.00 0.04 0.00 0.00 61.00 62.88 1ot4 s PRO 70 Cb -0.18 -3.27 0.49 0.00 0.04 0.00 0.00 34.50 31.58 1ot4 s PRO 70 CO -0.08 0.04 1.68 0.00 0.04 0.00 0.00 177.00 178.67 1ot4 h ALA 71 N 5.17 1.07 -2.82 8.56 0.00 -1.83 -3.44 119.26 125.98 1ot4 h ALA 71 Ca -0.44 -0.48 -0.60 0.00 0.00 0.00 0.00 54.91 53.39 1ot4 h ALA 71 Cb 1.21 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1ot4 h ALA 71 CO 0.73 0.66 -0.50 0.45 0.00 0.00 0.00 179.25 180.59 1ot4 s SER 72 N -6.80 6.28 0.25 0.00 0.15 -1.23 -5.08 113.70 107.27 1ot4 s SER 72 Ca -0.01 0.21 -0.30 0.00 0.70 0.00 0.00 55.95 56.55 1ot4 s SER 72 Cb 0.13 -1.90 -0.09 0.00 -1.71 0.00 0.00 66.02 62.45 1ot4 s SER 72 CO 0.74 0.13 1.09 -2.16 1.20 0.00 0.00 173.24 174.25 1ot4 s PRO 73 N -2.73 4.64 -0.29 5.44 0.04 -1.26 -5.01 135.00 135.83 1ot4 s PRO 73 Ca 0.34 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.94 1ot4 s PRO 73 Cb -0.12 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1ot4 s PRO 73 CO 0.28 0.19 0.65 -0.51 0.04 0.00 0.00 177.00 177.65 1ot4 s LEU 74 N -1.12 4.11 0.55 -3.56 1.43 -1.26 -5.05 118.68 113.78 1ot4 s LEU 74 Ca 0.46 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1ot4 s LEU 74 Cb -0.31 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.08 1ot4 s LEU 74 CO 0.39 -0.46 0.78 0.42 0.23 0.00 0.00 176.35 177.70 1ot4 s THR 75 N 2.62 2.65 1.09 5.49 -4.23 -1.26 -4.64 115.64 117.36 1ot4 s THR 75 Ca 0.26 -0.68 -0.21 0.00 -1.18 0.00 0.00 61.69 59.88 1ot4 s THR 75 Cb -0.15 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.75 1ot4 s THR 75 CO 0.11 0.00 -0.42 0.00 -0.54 0.00 0.00 174.62 173.77 1ot4 n ALA 76 N -2.34 -4.63 0.00 3.99 0.00 -1.26 -4.74 120.51 111.53 1ot4 n ALA 76 Ca 0.08 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1ot4 n ALA 76 Cb 0.60 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 2.43 0.16 3.04 0.00 0.00 0.14 -4.83 105.19 106.13 1ot4 n GLY 77 Ca -0.00 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 43.72 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 0.90 0.22 2.61 2.01 -1.26 0.26 115.64 120.37 1ot4 s THR 78 Ca 0.00 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 1ot4 s THR 78 Cb 0.00 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1ot4 s THR 78 CO 0.00 0.27 0.19 -0.31 -0.69 0.00 0.00 174.62 174.08 1ot4 s TYR 79 N -0.02 1.12 -0.16 4.92 1.51 -0.57 -1.38 117.35 122.76 1ot4 s TYR 79 Ca 0.00 -1.33 -0.04 0.00 -1.01 0.00 0.00 57.07 54.69 1ot4 s TYR 79 Cb -0.07 -0.48 0.07 0.00 -0.11 0.00 0.00 41.96 41.38 1ot4 s TYR 79 CO 0.00 -0.71 0.20 0.21 -1.11 0.00 0.00 175.55 174.14 1ot4 s LYS 80 N -4.05 0.13 -0.56 -0.62 2.20 0.15 -1.33 119.74 115.66 1ot4 s LYS 80 Ca 0.37 0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 56.09 1ot4 s LYS 80 Cb 0.06 -0.87 0.05 0.00 -1.51 0.00 0.00 37.83 35.56 1ot4 s LYS 80 CO 0.13 -0.52 0.89 0.08 -0.36 0.00 0.00 175.35 175.57 1ot4 s VAL 81 N 2.31 4.46 -0.46 4.02 1.01 -0.43 -1.97 120.40 129.35 1ot4 s VAL 81 Ca 0.05 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 1ot4 s VAL 81 Cb -0.14 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.75 1ot4 s VAL 81 CO -0.10 -1.11 0.76 -1.81 0.00 0.00 0.00 175.10 172.84 1ot4 s ASP 82 N 2.94 6.37 0.17 3.32 1.11 -0.13 -0.65 116.67 129.80 1ot4 s ASP 82 Ca 0.26 -0.23 0.05 0.00 0.18 0.00 0.00 52.55 52.81 1ot4 s ASP 82 Cb -0.14 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1ot4 s ASP 82 CO 0.17 -0.91 0.19 -1.66 1.18 0.00 0.00 175.17 174.14 1ot4 s TRP 83 N 3.20 3.25 -0.26 4.23 1.48 0.54 0.39 118.94 131.78 1ot4 s TRP 83 Ca 0.27 0.01 -0.02 0.00 -1.06 0.00 0.00 56.10 55.30 1ot4 s TRP 83 Cb -0.13 -1.55 0.11 0.00 -1.16 0.00 0.00 33.47 30.75 1ot4 s TRP 83 CO 0.21 0.51 0.23 1.03 -4.06 0.00 0.00 176.95 174.87 1ot4 s ARG 84 N -3.26 0.25 0.30 3.25 3.00 0.18 0.14 118.95 122.81 1ot4 s ARG 84 Ca 0.32 -0.12 -0.11 0.00 0.00 0.00 0.00 55.73 55.82 1ot4 s ARG 84 Cb -0.10 -0.97 -0.08 0.00 0.00 0.00 0.00 34.95 33.81 1ot4 s ARG 84 CO 0.25 -0.90 0.65 0.00 0.00 0.00 0.00 175.30 175.30 1ot4 s ALA 85 N 2.29 3.45 -0.17 2.13 0.00 0.11 -0.01 121.76 129.56 1ot4 s ALA 85 Ca 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 1ot4 s ALA 85 Cb -0.15 -2.59 0.08 0.00 0.00 0.00 0.00 23.12 20.47 1ot4 s ALA 85 CO -0.27 0.34 0.24 0.08 0.00 0.00 0.00 175.76 176.15 1ot4 s VAL 86 N -1.99 -0.38 -0.01 0.00 1.01 -1.26 -0.58 120.40 117.19 1ot4 s VAL 86 Ca 0.50 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 1ot4 s VAL 86 Cb -0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 1ot4 s VAL 86 CO 0.22 -0.05 -0.01 0.77 0.00 0.00 0.00 175.10 176.03 1ot4 h SER 87 N 8.30 0.00 0.00 3.32 4.64 -1.82 -3.08 113.55 124.91 1ot4 h SER 87 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1ot4 h SER 87 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1ot4 h SER 87 CO 0.22 0.04 0.00 -0.24 -0.87 0.00 0.00 176.83 175.98 1ot4 n SER 88 N -2.35 -0.13 -4.28 4.97 2.88 -1.26 -4.47 113.62 108.98 1ot4 n SER 88 Ca -0.00 0.06 -0.34 0.00 -1.33 0.00 0.00 58.87 57.26 1ot4 n SER 88 Cb 0.01 0.29 0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 -2.25 -3.09 -4.62 -3.46 -0.08 -1.26 -4.91 116.55 96.88 1ot4 n ASP 89 Ca 0.00 0.21 -0.30 0.00 -1.51 0.00 0.00 54.79 53.19 1ot4 n ASP 89 Cb 0.00 -1.03 0.19 0.00 2.34 0.00 0.00 41.12 42.62 1ot4 n ASP 89 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ot4 s THR 90 N -2.26 2.21 0.12 5.18 2.01 -1.26 -4.75 115.64 116.88 1ot4 s THR 90 Ca 0.52 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1ot4 s THR 90 Cb -0.17 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.14 1ot4 s THR 90 CO 0.71 -0.09 0.00 1.41 -0.69 0.00 0.00 174.62 175.96 1ot4 n HIS 91 N -4.41 -3.15 -1.52 4.92 8.25 -1.26 -4.88 115.22 113.17 1ot4 n HIS 91 Ca 0.08 1.89 -0.29 0.00 -0.26 0.00 0.00 57.72 59.14 1ot4 n HIS 91 Cb 0.53 -3.09 0.18 0.00 1.12 0.00 0.00 29.99 28.73 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 -1.46 0.34 -0.71 -0.41 0.04 -1.26 -4.82 135.00 126.71 1ot4 s PRO 92 Ca 0.00 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1ot4 s PRO 92 Cb 0.00 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.94 1ot4 s PRO 92 CO 0.00 -2.68 0.53 0.42 0.04 0.00 0.00 177.00 175.31 1ot4 s ILE 93 N -3.38 3.58 0.22 0.56 1.01 0.26 -4.63 121.20 118.81 1ot4 s ILE 93 Ca 0.69 -3.60 -0.22 0.00 0.00 0.00 0.00 60.65 57.52 1ot4 s ILE 93 Cb -0.10 -3.31 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 1ot4 s ILE 93 CO 0.54 -0.96 0.76 0.42 0.00 0.00 0.00 174.94 175.70 1ot4 s THR 94 N -0.82 4.48 0.00 2.92 -4.23 -1.26 0.09 115.64 116.83 1ot4 s THR 94 Ca 0.22 1.45 -0.28 0.00 -1.18 0.00 0.00 61.69 61.90 1ot4 s THR 94 Cb -0.14 -3.94 0.10 0.00 1.34 0.00 0.00 72.50 69.86 1ot4 s THR 94 CO -0.09 0.28 0.82 -0.83 -0.54 0.00 0.00 174.62 174.27 1ot4 s GLY 95 N -1.51 -0.48 -0.06 3.99 0.00 0.12 -4.97 107.32 104.41 1ot4 s GLY 95 Ca 0.42 1.08 -0.12 0.00 0.00 0.00 0.00 44.72 46.10 1ot4 s GLY 95 CO 0.22 0.46 0.29 -0.56 0.00 0.00 0.00 173.10 173.52 1ot4 s SER 96 N -2.21 -0.22 -0.21 1.64 0.01 -1.26 0.20 113.70 111.65 1ot4 s SER 96 Ca 0.02 0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.56 1ot4 s SER 96 Cb -0.01 0.44 0.06 0.00 0.21 0.00 0.00 66.02 66.72 1ot4 s SER 96 CO -0.06 -0.29 -0.04 -0.69 0.41 0.00 0.00 173.24 172.56 1ot4 s VAL 97 N -0.69 1.27 0.15 3.43 1.01 0.18 -4.93 120.40 120.82 1ot4 s VAL 97 Ca -0.08 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 1ot4 s VAL 97 Cb -0.04 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 1ot4 s VAL 97 CO 0.02 -0.06 0.68 0.28 0.00 0.00 0.00 175.10 176.03 1ot4 s THR 98 N 1.53 4.57 0.03 3.92 -1.32 -1.26 -1.32 115.64 121.79 1ot4 s THR 98 Ca -0.03 1.38 -0.16 0.00 -1.21 0.00 0.00 61.69 61.66 1ot4 s THR 98 Cb -0.18 -3.96 0.03 0.00 -1.51 0.00 0.00 72.50 66.88 1ot4 s THR 98 CO -0.07 0.44 0.37 0.72 -2.21 0.00 0.00 174.62 173.87 1ot4 s PHE 99 N -1.25 -0.21 0.30 9.09 -0.71 -0.44 0.41 117.98 125.17 1ot4 s PHE 99 Ca 0.35 0.16 0.07 0.00 -1.04 0.00 0.00 56.93 56.47 1ot4 s PHE 99 Cb -0.20 0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 1ot4 s PHE 99 CO 0.22 -0.53 0.31 0.15 -1.34 0.00 0.00 175.22 174.03 1ot4 s LYS 100 N -2.34 2.94 -0.05 1.99 1.02 0.69 -1.52 119.74 122.49 1ot4 s LYS 100 Ca -0.06 -1.11 -0.02 0.00 0.02 0.00 0.00 55.97 54.80 1ot4 s LYS 100 Cb -0.01 -2.62 0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1ot4 s LYS 100 CO -0.02 0.22 0.05 0.08 -0.92 0.00 0.00 175.35 174.76 1ot4 s VAL 101 N -2.19 -0.00 -0.82 3.17 1.01 0.14 -3.40 120.40 118.30 1ot4 s VAL 101 Ca 0.39 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.78 1ot4 s VAL 101 Cb -0.07 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.13 1ot4 s VAL 101 CO 0.27 0.19 0.71 0.29 0.00 0.00 0.00 175.10 176.56