#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 0.68 -4.13 1.57 -0.04 -1.26 -4.79 135.00 127.03 1ot4 n PRO 2 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1ot4 n PRO 2 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 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 -0.65 2.37 1.17 0.54 1.02 -1.26 -4.45 119.74 118.48 1ot4 s LYS 3 Ca 0.00 -1.52 -0.17 0.00 0.02 0.00 0.00 55.97 54.29 1ot4 s LYS 3 Cb 0.00 -2.18 0.20 0.00 -0.52 0.00 0.00 37.83 35.33 1ot4 s LYS 3 CO 0.00 0.15 0.38 1.47 -0.92 0.00 0.00 175.35 176.43 1ot4 n LEU 4 N -1.12 -1.93 0.00 3.17 -0.00 -1.26 -4.95 117.00 110.92 1ot4 n LEU 4 Ca -0.04 -0.27 0.00 0.00 -0.00 0.00 0.00 56.01 55.71 1ot4 n LEU 4 Cb 0.61 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1ot4 n LEU 4 CO 0.43 -3.33 0.23 0.52 -0.00 0.00 0.00 177.39 175.23 1ot4 n VAL 5 N -4.75 0.00 -4.04 1.47 0.31 -1.25 -4.90 118.33 105.16 1ot4 n VAL 5 Ca 0.03 0.95 -0.09 0.00 -0.01 0.00 0.00 64.34 65.22 1ot4 n VAL 5 Cb 0.57 -1.86 -0.11 0.00 -0.91 0.00 0.00 33.84 31.53 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 -2.17 0.47 0.26 4.52 0.01 -1.19 -5.06 113.70 110.54 1ot4 s SER 6 Ca 0.00 -0.69 -0.19 0.00 1.31 0.00 0.00 55.95 56.38 1ot4 s SER 6 Cb 0.00 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.37 1ot4 s SER 6 CO 0.00 -0.38 0.65 -0.94 0.41 0.00 0.00 173.24 172.97 1ot4 s SER 7 N -2.02 -0.24 -0.36 2.44 1.04 -1.26 0.72 113.70 114.03 1ot4 s SER 7 Ca -0.06 -0.63 0.14 0.00 0.48 0.00 0.00 55.95 55.88 1ot4 s SER 7 Cb -0.04 0.68 0.38 0.00 0.10 0.00 0.00 66.02 67.15 1ot4 s SER 7 CO -0.04 -1.26 0.79 0.41 0.98 0.00 0.00 173.24 174.13 1ot4 n THR 8 N -0.43 0.17 0.00 2.02 -1.04 0.16 -4.91 114.28 110.24 1ot4 n THR 8 Ca -0.05 -4.14 0.00 0.00 -2.04 0.00 0.00 64.05 57.83 1ot4 n THR 8 Cb 0.60 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 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 0.18 0.00 -2.13 -2.82 -0.04 -1.06 -1.12 135.00 128.01 1ot4 n PRO 9 Ca 0.20 0.46 -0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1ot4 n PRO 9 Cb 0.71 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 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 -1.89 -1.76 -1.47 0.55 0.00 -1.26 -4.42 120.51 110.26 1ot4 n ALA 10 Ca 0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 1ot4 n ALA 10 Cb 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.37 0.10 -4.45 0.00 1.02 -1.26 0.23 120.64 115.91 1ot4 n GLU 11 Ca -0.14 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.60 1ot4 n GLU 11 Cb 0.60 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 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 6.60 -0.40 3.55 0.62 0.00 0.17 -4.76 105.19 110.96 1ot4 n GLY 12 Ca 0.62 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.30 5.45 -0.23 1.61 0.01 0.14 -4.73 113.70 112.64 1ot4 s SER 13 Ca 0.79 -0.27 -0.07 0.00 1.31 0.00 0.00 55.95 57.70 1ot4 s SER 13 Cb -0.45 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.20 1ot4 s SER 13 CO 1.00 -2.36 0.06 -1.61 0.41 0.00 0.00 173.24 170.75 1ot4 s GLU 14 N 6.68 3.70 0.00 12.44 2.02 -1.26 0.26 118.70 142.54 1ot4 s GLU 14 Ca 0.62 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.15 1ot4 s GLU 14 Cb -0.09 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1ot4 s GLU 14 CO 0.10 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.69 1ot4 n GLY 15 N 4.65 2.94 3.68 -1.39 0.00 -1.19 -4.94 105.19 108.94 1ot4 n GLY 15 Ca -0.16 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.72 0.23 4.61 0.00 -1.23 -0.75 121.76 122.90 1ot4 s ALA 16 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 1ot4 s ALA 16 Cb 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 23.12 23.60 1ot4 s ALA 16 CO 0.00 -0.94 1.09 0.00 0.00 0.00 0.00 175.76 175.91 1ot4 s ALA 17 N -3.22 3.39 0.28 0.00 0.00 -1.26 -4.56 121.76 116.38 1ot4 s ALA 17 Ca 0.10 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 1ot4 s ALA 17 Cb -0.01 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 1ot4 s ALA 17 CO -0.01 -0.15 1.08 -1.25 0.00 0.00 0.00 175.76 175.43 1ot4 s PRO 18 N -0.96 4.67 0.14 0.00 0.04 -1.26 -4.95 135.00 132.68 1ot4 s PRO 18 Ca 0.46 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 63.02 1ot4 s PRO 18 Cb -0.30 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1ot4 s PRO 18 CO 0.38 0.25 1.62 0.00 0.04 0.00 0.00 177.00 179.29 1ot4 h ALA 19 N 3.85 -0.25 -2.25 8.56 0.00 -1.94 -3.44 119.26 123.78 1ot4 h ALA 19 Ca -0.46 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1ot4 h ALA 19 Cb 1.21 0.54 -0.20 0.00 0.00 0.00 0.00 17.79 19.34 1ot4 h ALA 19 CO 0.67 -0.73 -0.03 -1.59 0.00 0.00 0.00 179.25 177.57 1ot4 s LYS 20 N -6.05 0.85 0.21 0.00 0.00 -1.26 -4.84 119.74 108.65 1ot4 s LYS 20 Ca -0.15 0.13 -0.22 0.00 0.00 0.00 0.00 55.97 55.73 1ot4 s LYS 20 Cb 0.11 0.40 -0.08 0.00 0.00 0.00 0.00 37.83 38.26 1ot4 s LYS 20 CO 0.67 -0.24 0.75 0.42 0.00 0.00 0.00 175.35 176.95 1ot4 s ILE 21 N -1.08 4.48 0.12 3.79 1.09 0.59 -4.83 121.20 125.37 1ot4 s ILE 21 Ca -0.11 1.46 0.11 0.00 -1.10 0.00 0.00 60.65 61.00 1ot4 s ILE 21 Cb -0.03 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.38 1ot4 s ILE 21 CO 0.07 0.31 -0.25 -0.70 -0.10 0.00 0.00 174.94 174.27 1ot4 s GLU 22 N -1.69 1.49 -0.05 2.79 2.12 -0.27 -0.66 118.70 122.42 1ot4 s GLU 22 Ca 0.41 -1.31 -0.07 0.00 0.36 0.00 0.00 54.97 54.36 1ot4 s GLU 22 Cb -0.19 -1.94 0.01 0.00 0.26 0.00 0.00 34.13 32.27 1ot4 s GLU 22 CO 0.23 0.46 0.18 -0.51 -0.54 0.00 0.00 175.26 175.07 1ot4 s LEU 23 N -2.04 1.34 0.03 2.70 1.43 0.26 0.36 118.68 122.76 1ot4 s LEU 23 Ca 0.15 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 1ot4 s LEU 23 Cb -0.10 0.67 -0.02 0.00 0.03 0.00 0.00 46.19 46.76 1ot4 s LEU 23 CO 0.07 -0.15 -0.07 -1.00 0.23 0.00 0.00 176.35 175.43 1ot4 s HIS 24 N -0.29 0.62 -0.21 0.29 3.76 0.22 -0.94 115.29 118.74 1ot4 s HIS 24 Ca -0.04 -0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 1ot4 s HIS 24 Cb -0.03 -0.38 0.07 0.00 1.11 0.00 0.00 32.58 33.35 1ot4 s HIS 24 CO 0.01 -0.07 0.53 -0.06 -0.85 0.00 0.00 174.74 174.30 1ot4 s PHE 25 N -1.17 -0.76 -1.08 1.40 0.40 -1.24 -3.16 117.98 112.36 1ot4 s PHE 25 Ca -0.08 1.62 0.14 0.00 -0.60 0.00 0.00 56.93 58.01 1ot4 s PHE 25 Cb -0.09 0.38 0.63 0.00 0.51 0.00 0.00 43.02 44.45 1ot4 s PHE 25 CO 0.00 -0.40 1.44 0.45 0.70 0.00 0.00 175.22 177.42 1ot4 n SER 26 N 4.00 0.00 -2.71 1.36 2.88 -1.26 -3.54 113.62 114.35 1ot4 n SER 26 Ca -0.20 0.42 -0.07 0.00 -1.33 0.00 0.00 58.87 57.68 1ot4 n SER 26 Cb 0.57 -0.46 0.10 0.00 -0.75 0.00 0.00 64.21 63.67 1ot4 n SER 26 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ot4 n GLU 27 N -1.46 1.05 0.00 -1.46 2.13 -1.26 -5.06 120.64 114.59 1ot4 n GLU 27 Ca 0.04 -1.77 0.00 0.00 0.66 0.00 0.00 57.16 56.09 1ot4 n GLU 27 Cb 0.16 -0.39 0.00 0.00 0.27 0.00 0.00 31.44 31.48 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 -0.23 0.00 -3.06 4.31 5.15 -1.23 -4.87 115.26 115.33 1ot4 n ASN 28 Ca -0.01 0.33 -0.11 0.00 -0.60 0.00 0.00 54.58 54.19 1ot4 n ASN 28 Cb 0.78 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 40.05 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 -0.56 -2.95 0.00 1.20 7.94 -1.26 -4.95 117.00 116.42 1ot4 n LEU 29 Ca 0.00 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1ot4 n LEU 29 Cb 0.00 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.51 1ot4 n LEU 29 CO 0.00 -0.90 0.00 0.52 -1.11 0.00 0.00 177.39 175.90 1ot4 n VAL 30 N 0.81 0.00 -4.48 1.96 0.31 -1.26 -4.83 118.33 110.83 1ot4 n VAL 30 Ca -0.02 0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 64.00 1ot4 n VAL 30 Cb 0.51 -0.30 -0.08 0.00 -0.91 0.00 0.00 33.84 33.06 1ot4 n VAL 30 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ot4 n THR 31 N -0.04 -0.13 0.00 2.52 -1.04 -1.26 -4.63 114.28 109.69 1ot4 n THR 31 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1ot4 n THR 31 Cb 0.00 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1ot4 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ot4 n GLN 32 N -4.09 0.00 -0.92 -2.82 3.00 -1.26 -5.05 117.38 106.24 1ot4 n GLN 32 Ca 0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.99 1ot4 n GLN 32 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.66 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 -0.43 0.00 -3.01 1.08 3.72 -1.26 -5.10 117.46 112.47 1ot4 n PHE 33 Ca 0.00 -0.42 -0.39 0.00 -0.05 0.00 0.00 57.45 56.58 1ot4 n PHE 33 Cb 0.00 0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 38.94 1ot4 n PHE 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ot4 s SER 34 N -0.85 7.34 0.00 4.37 0.15 -1.26 -4.76 113.70 118.69 1ot4 s SER 34 Ca 0.00 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.24 1ot4 s SER 34 Cb 0.00 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1ot4 s SER 34 CO 0.00 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1ot4 n GLY 35 N 1.71 2.73 3.38 9.45 0.00 0.28 -4.97 105.19 117.75 1ot4 n GLY 35 Ca -0.06 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.25 -0.23 4.61 0.00 -1.26 -1.38 121.76 121.25 1ot4 s ALA 36 Ca 0.00 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1ot4 s ALA 36 Cb 0.00 0.23 0.10 0.00 0.00 0.00 0.00 23.12 23.44 1ot4 s ALA 36 CO 0.00 -0.42 0.50 0.15 0.00 0.00 0.00 175.76 175.99 1ot4 s LYS 37 N -1.95 0.43 0.03 0.00 1.02 0.15 -4.95 119.74 114.47 1ot4 s LYS 37 Ca -0.08 1.13 -0.17 0.00 0.02 0.00 0.00 55.97 56.87 1ot4 s LYS 37 Cb -0.01 0.41 -0.06 0.00 -0.52 0.00 0.00 37.83 37.64 1ot4 s LYS 37 CO 0.02 -0.22 0.48 -1.17 -0.92 0.00 0.00 175.35 173.54 1ot4 s LEU 38 N 2.44 4.50 0.02 3.17 2.96 -1.26 -0.78 118.68 129.73 1ot4 s LEU 38 Ca -0.05 1.09 0.04 0.00 -0.22 0.00 0.00 54.13 55.00 1ot4 s LEU 38 Cb -0.11 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 1ot4 s LEU 38 CO -0.15 0.30 -0.11 0.68 -1.32 0.00 0.00 176.35 175.74 1ot4 s VAL 39 N -1.06 0.90 -0.61 1.68 -7.23 -0.73 -0.19 120.40 113.15 1ot4 s VAL 39 Ca 0.26 -0.80 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 1ot4 s VAL 39 Cb -0.18 -0.81 0.16 0.00 0.56 0.00 0.00 36.38 36.10 1ot4 s VAL 39 CO 0.16 0.02 0.51 -0.32 -0.31 0.00 0.00 175.10 175.15 1ot4 s MET 40 N -0.88 2.90 -0.82 4.82 1.75 0.45 0.05 119.30 127.57 1ot4 s MET 40 Ca 0.01 -2.08 0.02 0.00 -1.25 0.00 0.00 55.69 52.39 1ot4 s MET 40 Cb -0.07 -4.10 0.33 0.00 2.84 0.00 0.00 34.83 33.83 1ot4 s MET 40 CO 0.01 -1.24 1.42 -2.37 -0.65 0.00 0.00 175.02 172.18 1ot4 n THR 41 N 4.48 4.68 -2.82 10.11 5.66 -0.51 -2.04 114.28 133.83 1ot4 n THR 41 Ca -0.00 -5.78 -0.41 0.00 -3.05 0.00 0.00 64.05 54.80 1ot4 n THR 41 Cb 0.42 -1.48 -0.04 0.00 -1.55 0.00 0.00 70.33 67.68 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 s ALA 42 N -3.93 3.27 -0.11 1.79 0.00 -0.83 -4.49 121.76 117.46 1ot4 s ALA 42 Ca 0.44 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1ot4 s ALA 42 Cb 0.24 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1ot4 s ALA 42 CO -0.14 -0.05 0.04 -0.12 0.00 0.00 0.00 175.76 175.49 1ot4 n MET 43 N 3.09 -1.99 -2.30 0.00 1.56 -1.26 -4.76 117.12 111.44 1ot4 n MET 43 Ca 0.01 1.81 -0.39 0.00 -0.27 0.00 0.00 57.70 58.87 1ot4 n MET 43 Cb 0.50 -2.76 -0.03 0.00 2.15 0.00 0.00 33.22 33.08 1ot4 n MET 43 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1ot4 s PRO 44 N -0.93 2.94 -0.27 2.12 0.04 -1.26 -4.76 135.00 132.87 1ot4 s PRO 44 Ca -0.04 0.02 -0.13 0.00 0.04 0.00 0.00 61.00 60.90 1ot4 s PRO 44 Cb 0.00 -4.44 -0.13 0.00 0.04 0.00 0.00 34.50 29.97 1ot4 s PRO 44 CO 0.33 -2.49 -0.31 0.41 0.04 0.00 0.00 177.00 174.98 1ot4 n GLY 45 N 5.76 -0.46 3.31 0.56 0.00 -1.26 -4.52 105.19 108.58 1ot4 n GLY 45 Ca 0.16 -0.13 -0.44 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 -4.14 3.60 -4.15 1.61 2.81 -1.26 -4.66 117.12 110.92 1ot4 n MET 46 Ca -0.53 -4.20 -0.31 0.00 -1.81 0.00 0.00 57.70 50.85 1ot4 n MET 46 Cb 0.89 -2.74 -0.06 0.00 -0.71 0.00 0.00 33.22 30.61 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 3.59 -1.57 -2.97 0.03 2.13 -1.26 -2.96 120.64 117.63 1ot4 n GLU 47 Ca 0.30 0.20 -0.00 0.00 0.66 0.00 0.00 57.16 58.31 1ot4 n GLU 47 Cb 0.39 -3.75 0.00 0.00 0.27 0.00 0.00 31.44 28.35 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 -4.58 -1.91 -3.68 4.31 1.44 -1.26 -4.93 115.22 104.62 1ot4 n HIS 48 Ca -0.29 0.84 -0.38 0.00 -2.01 0.00 0.00 57.72 55.88 1ot4 n HIS 48 Cb 0.67 -2.43 -0.10 0.00 0.12 0.00 0.00 29.99 28.25 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1ot4 s SER 49 N -1.31 5.46 0.58 4.39 0.15 -1.16 -5.03 113.70 116.78 1ot4 s SER 49 Ca 0.00 -1.86 -0.16 0.00 0.70 0.00 0.00 55.95 54.63 1ot4 s SER 49 Cb -0.00 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1ot4 s SER 49 CO 0.37 -0.58 1.05 -2.16 1.20 0.00 0.00 173.24 173.12 1ot4 s PRO 50 N 1.27 3.43 -0.22 5.44 0.04 -1.26 -4.68 135.00 139.02 1ot4 s PRO 50 Ca 0.06 1.18 -0.00 0.00 0.04 0.00 0.00 61.00 62.28 1ot4 s PRO 50 Cb -0.24 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.31 1ot4 s PRO 50 CO -0.02 -0.72 -0.04 -1.64 0.04 0.00 0.00 177.00 174.62 1ot4 s MET 51 N -4.03 1.42 0.37 4.56 -1.94 -0.86 -4.87 119.30 113.94 1ot4 s MET 51 Ca 0.63 -0.81 -0.28 0.00 -1.71 0.00 0.00 55.69 53.52 1ot4 s MET 51 Cb -0.15 -2.42 -0.11 0.00 2.01 0.00 0.00 34.83 34.16 1ot4 s MET 51 CO 0.35 -0.58 1.39 0.00 -0.01 0.00 0.00 175.02 176.17 1ot4 n ALA 52 N 4.77 1.85 -2.41 3.03 0.00 -1.26 0.17 120.51 126.66 1ot4 n ALA 52 Ca -0.11 0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1ot4 n ALA 52 Cb 0.45 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 1ot4 n ALA 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ot4 s VAL 53 N -1.11 2.05 0.02 0.00 0.11 0.73 -4.81 120.40 117.38 1ot4 s VAL 53 Ca 0.55 -2.24 -0.30 0.00 -2.93 0.00 0.00 61.98 57.06 1ot4 s VAL 53 Cb -0.52 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.18 1ot4 s VAL 53 CO 0.63 -0.47 1.05 -0.54 -3.33 0.00 0.00 175.10 172.44 1ot4 s LYS 54 N -3.44 4.51 0.33 1.54 1.02 -1.26 -4.42 119.74 118.01 1ot4 s LYS 54 Ca 0.24 1.53 -0.13 0.00 0.02 0.00 0.00 55.97 57.64 1ot4 s LYS 54 Cb -0.03 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1ot4 s LYS 54 CO 0.10 -0.12 0.63 0.00 -0.92 0.00 0.00 175.35 175.03 1ot4 s ALA 55 N 1.06 -0.32 0.01 5.17 0.00 -1.26 -3.38 121.76 123.04 1ot4 s ALA 55 Ca 0.54 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1ot4 s ALA 55 Cb -0.24 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 1ot4 s ALA 55 CO 0.28 -0.92 -0.03 0.00 0.00 0.00 0.00 175.76 175.10 1ot4 s ALA 56 N -3.15 0.15 -0.15 0.00 0.00 -0.19 -4.79 121.76 113.64 1ot4 s ALA 56 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 1ot4 s ALA 56 Cb -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1ot4 s ALA 56 CO 0.12 -0.07 -0.13 0.14 0.00 0.00 0.00 175.76 175.82 1ot4 s VAL 57 N -0.84 2.93 -0.08 0.00 -7.23 -1.26 -0.47 120.40 113.45 1ot4 s VAL 57 Ca -0.08 -0.69 -0.13 0.00 -1.81 0.00 0.00 61.98 59.27 1ot4 s VAL 57 Cb -0.06 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.67 1ot4 s VAL 57 CO -0.00 0.51 0.32 -0.44 -0.31 0.00 0.00 175.10 175.18 1ot4 s SER 58 N 0.63 -0.28 0.92 4.85 0.01 0.66 -5.00 113.70 115.49 1ot4 s SER 58 Ca -0.07 0.41 -0.13 0.00 1.31 0.00 0.00 55.95 57.47 1ot4 s SER 58 Cb -0.16 0.52 0.14 0.00 0.21 0.00 0.00 66.02 66.74 1ot4 s SER 58 CO 0.03 -0.26 1.15 -0.83 0.41 0.00 0.00 173.24 173.74 1ot4 s GLY 59 N -0.49 1.59 0.00 3.44 0.00 -1.26 0.42 107.32 111.03 1ot4 s GLY 59 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1ot4 s GLY 59 CO 0.02 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.70 1ot4 n GLY 60 N -2.39 0.86 0.06 0.20 0.00 -0.15 -4.68 105.19 99.10 1ot4 n GLY 60 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 4.99 -1.13 3.42 -0.02 0.00 -1.26 -4.94 105.19 106.24 1ot4 n GLY 61 Ca 0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -5.13 3.41 0.00 1.61 1.11 -1.26 -5.01 116.67 111.40 1ot4 s ASP 62 Ca -0.06 -0.88 0.24 0.00 0.18 0.00 0.00 52.55 52.03 1ot4 s ASP 62 Cb 0.11 -0.25 1.36 0.00 1.07 0.00 0.00 42.92 45.20 1ot4 s ASP 62 CO 0.85 0.11 1.78 -0.81 1.18 0.00 0.00 175.17 178.28 1ot4 n PRO 63 N 0.20 0.65 -0.04 8.23 -0.04 -1.26 -2.18 135.00 140.56 1ot4 n PRO 63 Ca -0.12 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.39 1ot4 n PRO 63 Cb 0.56 -1.50 -0.16 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 -1.07 0.67 -3.31 0.54 2.85 -1.26 -4.59 118.16 111.99 1ot4 n LYS 64 Ca 0.16 -0.11 -0.40 0.00 -1.05 0.00 0.00 58.31 56.91 1ot4 n LYS 64 Cb 0.11 -1.54 -0.08 0.00 -0.65 0.00 0.00 35.03 32.86 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 -3.14 5.10 0.16 0.58 2.01 -0.92 -3.64 115.64 115.78 1ot4 s THR 65 Ca -0.08 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1ot4 s THR 65 Cb 0.11 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1ot4 s THR 65 CO 0.88 -0.02 0.32 -0.04 -0.69 0.00 0.00 174.62 175.06 1ot4 s MET 66 N 2.23 3.47 -0.16 4.92 -1.94 -0.12 -0.98 119.30 126.72 1ot4 s MET 66 Ca 0.17 -0.47 -0.06 0.00 -1.71 0.00 0.00 55.69 53.62 1ot4 s MET 66 Cb -0.16 -2.93 0.08 0.00 2.01 0.00 0.00 34.83 33.83 1ot4 s MET 66 CO 0.11 0.49 0.33 0.08 -0.01 0.00 0.00 175.02 176.02 1ot4 s VAL 67 N -1.76 -0.52 -0.16 -6.03 1.01 0.17 -0.58 120.40 112.54 1ot4 s VAL 67 Ca 0.36 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 1ot4 s VAL 67 Cb -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1ot4 s VAL 67 CO 0.28 0.09 0.16 -0.63 0.00 0.00 0.00 175.10 175.00 1ot4 s ILE 68 N 2.50 5.43 -0.05 2.22 1.09 0.16 -0.25 121.20 132.30 1ot4 s ILE 68 Ca 0.00 0.25 -0.02 0.00 -1.10 0.00 0.00 60.65 59.78 1ot4 s ILE 68 Cb -0.12 -3.46 0.03 0.00 -1.06 0.00 0.00 42.46 37.85 1ot4 s ILE 68 CO -0.10 0.51 0.06 -0.89 -0.10 0.00 0.00 174.94 174.42 1ot4 s THR 69 N -0.23 -0.07 0.15 2.92 2.01 0.38 -0.30 115.64 120.49 1ot4 s THR 69 Ca 0.12 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1ot4 s THR 69 Cb -0.12 -0.21 -0.07 0.00 0.01 0.00 0.00 72.50 72.11 1ot4 s THR 69 CO 0.01 0.15 1.13 -2.16 -0.69 0.00 0.00 174.62 173.06 1ot4 s PRO 70 N 2.15 4.54 0.47 4.92 0.04 -1.26 -1.02 135.00 144.84 1ot4 s PRO 70 Ca 0.05 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.06 1ot4 s PRO 70 Cb -0.12 -3.29 1.15 0.00 0.04 0.00 0.00 34.50 32.27 1ot4 s PRO 70 CO -0.04 -0.03 1.96 0.00 0.04 0.00 0.00 177.00 178.93 1ot4 h ALA 71 N 5.57 1.27 -2.46 8.56 0.00 -1.86 -3.43 119.26 126.91 1ot4 h ALA 71 Ca -0.44 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 53.75 1ot4 h ALA 71 Cb 1.21 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1ot4 h ALA 71 CO 0.75 0.26 -0.53 0.45 0.00 0.00 0.00 179.25 180.18 1ot4 s SER 72 N -6.38 5.69 0.03 0.00 0.15 -1.26 -5.08 113.70 106.85 1ot4 s SER 72 Ca -0.02 -0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 1ot4 s SER 72 Cb 0.13 -1.52 -0.05 0.00 -1.71 0.00 0.00 66.02 62.87 1ot4 s SER 72 CO 0.63 0.02 1.18 -2.16 1.20 0.00 0.00 173.24 174.11 1ot4 s PRO 73 N -3.46 4.43 -0.29 5.44 0.04 -1.26 -4.98 135.00 134.93 1ot4 s PRO 73 Ca 0.32 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1ot4 s PRO 73 Cb -0.09 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 31.06 1ot4 s PRO 73 CO 0.25 -0.27 1.21 -0.51 0.04 0.00 0.00 177.00 177.73 1ot4 s LEU 74 N 1.25 3.94 0.52 -3.56 1.43 -1.26 -5.01 118.68 115.99 1ot4 s LEU 74 Ca 0.58 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.92 1ot4 s LEU 74 Cb -0.28 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.44 1ot4 s LEU 74 CO 0.28 -0.97 0.73 0.42 0.23 0.00 0.00 176.35 177.04 1ot4 s THR 75 N 4.00 2.72 1.01 5.49 -4.23 -1.26 -4.65 115.64 118.72 1ot4 s THR 75 Ca 0.52 -0.77 -0.17 0.00 -1.18 0.00 0.00 61.69 60.09 1ot4 s THR 75 Cb -0.16 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 70.81 1ot4 s THR 75 CO 0.19 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 174.15 1ot4 n ALA 76 N -2.22 -2.32 0.00 3.99 0.00 -1.26 -4.72 120.51 113.98 1ot4 n ALA 76 Ca 0.09 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1ot4 n ALA 76 Cb 0.60 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 2.52 0.16 2.84 0.00 0.00 0.37 -4.80 105.19 106.29 1ot4 n GLY 77 Ca 0.02 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.02 0.13 2.61 2.01 -1.26 -0.04 115.64 119.07 1ot4 s THR 78 Ca 0.00 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.10 1ot4 s THR 78 Cb 0.00 -0.04 -0.04 0.00 0.01 0.00 0.00 72.50 72.43 1ot4 s THR 78 CO 0.00 0.03 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.61 1ot4 s TYR 79 N 0.38 1.05 -0.20 4.92 1.51 -0.50 -1.43 117.35 123.08 1ot4 s TYR 79 Ca -0.03 -0.95 -0.01 0.00 -1.01 0.00 0.00 57.07 55.07 1ot4 s TYR 79 Cb -0.05 -0.59 0.05 0.00 -0.11 0.00 0.00 41.96 41.26 1ot4 s TYR 79 CO -0.01 -0.16 -0.01 0.15 -1.11 0.00 0.00 175.55 174.41 1ot4 s LYS 80 N -3.86 1.14 -0.70 -0.62 1.02 0.11 -1.22 119.74 115.61 1ot4 s LYS 80 Ca 0.17 -0.61 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 1ot4 s LYS 80 Cb 0.05 -2.20 0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1ot4 s LYS 80 CO -0.01 -0.57 1.05 0.08 -0.92 0.00 0.00 175.35 174.99 1ot4 s VAL 81 N 1.66 4.20 -0.20 3.17 1.01 0.46 -1.77 120.40 128.93 1ot4 s VAL 81 Ca -0.02 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1ot4 s VAL 81 Cb -0.17 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 31.43 1ot4 s VAL 81 CO -0.07 -1.56 0.60 -1.81 0.00 0.00 0.00 175.10 172.25 1ot4 s ASP 82 N 3.73 6.65 0.13 3.32 1.11 0.04 0.32 116.67 131.97 1ot4 s ASP 82 Ca 0.26 0.79 0.09 0.00 0.18 0.00 0.00 52.55 53.87 1ot4 s ASP 82 Cb -0.14 -2.33 -0.04 0.00 1.07 0.00 0.00 42.92 41.48 1ot4 s ASP 82 CO 0.10 -0.24 -0.23 -1.66 1.18 0.00 0.00 175.17 174.32 1ot4 s TRP 83 N 1.82 1.99 -0.05 4.23 1.48 0.32 0.30 118.94 129.03 1ot4 s TRP 83 Ca 0.27 -0.41 0.03 0.00 -1.06 0.00 0.00 56.10 54.93 1ot4 s TRP 83 Cb -0.16 -1.07 0.01 0.00 -1.16 0.00 0.00 33.47 31.10 1ot4 s TRP 83 CO 0.10 0.29 -0.12 1.03 -4.06 0.00 0.00 176.95 174.19 1ot4 s ARG 84 N -2.13 1.44 -0.05 3.25 0.52 -0.48 -0.93 118.95 120.57 1ot4 s ARG 84 Ca 0.11 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 54.96 1ot4 s ARG 84 Cb -0.09 -1.25 0.00 0.00 0.52 0.00 0.00 34.95 34.13 1ot4 s ARG 84 CO 0.06 0.08 -0.16 0.00 0.02 0.00 0.00 175.30 175.30 1ot4 s ALA 85 N 0.44 1.47 0.19 2.13 0.00 0.02 -0.56 121.76 125.45 1ot4 s ALA 85 Ca -0.09 -0.62 0.11 0.00 0.00 0.00 0.00 51.96 51.35 1ot4 s ALA 85 Cb -0.13 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1ot4 s ALA 85 CO 0.02 0.23 -0.20 0.08 0.00 0.00 0.00 175.76 175.89 1ot4 s VAL 86 N 0.24 2.60 0.00 0.00 1.01 -1.26 -0.40 120.40 122.59 1ot4 s VAL 86 Ca -0.08 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1ot4 s VAL 86 Cb -0.13 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1ot4 s VAL 86 CO 0.03 -0.10 0.00 -1.20 0.00 0.00 0.00 175.10 173.83 1ot4 n SER 87 N 0.24 1.27 0.00 3.32 7.64 -1.26 -4.76 113.62 120.06 1ot4 n SER 87 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1ot4 n SER 87 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1ot4 n SER 87 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ot4 n SER 88 N 0.00 0.00 -3.61 6.43 7.64 -1.26 -4.78 113.62 118.03 1ot4 n SER 88 Ca 0.00 0.28 -0.28 0.00 1.01 0.00 0.00 58.87 59.89 1ot4 n SER 88 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ot4 s ASP 89 N -2.05 2.94 0.00 6.43 2.15 -1.26 -5.11 116.67 119.77 1ot4 s ASP 89 Ca 0.00 -0.94 0.00 0.00 0.43 0.00 0.00 52.55 52.04 1ot4 s ASP 89 Cb 0.00 -0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.25 1ot4 s ASP 89 CO 0.00 -0.38 0.00 0.41 -0.17 0.00 0.00 175.17 175.03 1ot4 n THR 90 N 5.21 0.00 -1.04 1.71 -1.04 -1.26 -5.15 114.28 112.70 1ot4 n THR 90 Ca -0.07 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.58 1ot4 n THR 90 Cb 0.46 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.00 1ot4 n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ot4 n HIS 91 N -0.44 -4.57 -2.48 -1.42 1.44 -1.26 -4.77 115.22 101.71 1ot4 n HIS 91 Ca 0.00 0.08 -0.34 0.00 -2.01 0.00 0.00 57.72 55.45 1ot4 n HIS 91 Cb 0.00 -1.47 -0.03 0.00 0.12 0.00 0.00 29.99 28.62 1ot4 n HIS 91 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1ot4 s PRO 92 N -1.72 3.74 -0.94 -1.40 0.04 -1.26 -4.51 135.00 128.95 1ot4 s PRO 92 Ca 0.43 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 1ot4 s PRO 92 Cb -0.25 -2.09 0.26 0.00 0.04 0.00 0.00 34.50 32.46 1ot4 s PRO 92 CO 0.77 -0.47 1.03 -0.89 0.04 0.00 0.00 177.00 177.48 1ot4 n ILE 93 N -1.12 3.81 -2.43 0.56 2.08 0.47 -2.49 119.36 120.24 1ot4 n ILE 93 Ca 0.09 -5.41 -0.28 0.00 0.56 0.00 0.00 62.75 57.71 1ot4 n ILE 93 Cb 0.53 -2.28 0.00 0.00 -0.75 0.00 0.00 39.64 37.14 1ot4 n ILE 93 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1ot4 s THR 94 N -1.97 4.83 -0.21 1.39 -4.23 -1.26 -0.80 115.64 113.39 1ot4 s THR 94 Ca 0.31 0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.89 1ot4 s THR 94 Cb -0.00 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 70.13 1ot4 s THR 94 CO -0.03 -0.92 1.17 -0.83 -0.54 0.00 0.00 174.62 173.46 1ot4 s GLY 95 N -4.13 -0.14 0.10 3.99 0.00 -0.11 -4.70 107.32 102.34 1ot4 s GLY 95 Ca 0.49 2.26 0.04 0.00 0.00 0.00 0.00 44.72 47.51 1ot4 s GLY 95 CO 0.47 0.97 -0.10 -0.56 0.00 0.00 0.00 173.10 173.88 1ot4 s SER 96 N -1.27 1.48 -0.28 1.64 0.01 -1.26 0.12 113.70 114.14 1ot4 s SER 96 Ca 0.04 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.48 1ot4 s SER 96 Cb -0.01 0.00 0.09 0.00 0.21 0.00 0.00 66.02 66.31 1ot4 s SER 96 CO -0.03 -0.25 0.07 -0.69 0.41 0.00 0.00 173.24 172.75 1ot4 s VAL 97 N -2.41 0.79 0.15 3.43 1.01 0.15 -4.91 120.40 118.61 1ot4 s VAL 97 Ca 0.05 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 1ot4 s VAL 97 Cb -0.03 -1.49 -0.08 0.00 0.00 0.00 0.00 36.38 34.78 1ot4 s VAL 97 CO 0.00 -0.53 0.68 0.28 0.00 0.00 0.00 175.10 175.53 1ot4 s THR 98 N 1.68 4.57 -0.05 3.92 -1.32 -1.26 -0.40 115.64 122.78 1ot4 s THR 98 Ca 0.06 1.37 -0.21 0.00 -1.21 0.00 0.00 61.69 61.70 1ot4 s THR 98 Cb -0.17 -3.95 0.04 0.00 -1.51 0.00 0.00 72.50 66.91 1ot4 s THR 98 CO -0.21 0.42 0.48 0.72 -2.21 0.00 0.00 174.62 173.82 1ot4 s PHE 99 N -1.27 -0.41 0.23 9.09 -0.12 -0.35 0.44 117.98 125.58 1ot4 s PHE 99 Ca 0.36 0.74 0.06 0.00 -0.05 0.00 0.00 56.93 58.04 1ot4 s PHE 99 Cb -0.20 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.39 1ot4 s PHE 99 CO 0.22 -0.46 0.24 0.15 -0.05 0.00 0.00 175.22 175.33 1ot4 s LYS 100 N -1.05 3.11 -0.07 1.99 1.02 0.14 -1.42 119.74 123.47 1ot4 s LYS 100 Ca -0.11 -0.91 -0.01 0.00 0.02 0.00 0.00 55.97 54.96 1ot4 s LYS 100 Cb -0.03 -2.70 0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1ot4 s LYS 100 CO 0.06 0.43 -0.01 0.08 -0.92 0.00 0.00 175.35 174.98 1ot4 s VAL 101 N -2.02 0.45 -0.33 3.17 1.01 0.94 -3.16 120.40 120.47 1ot4 s VAL 101 Ca 0.33 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1ot4 s VAL 101 Cb -0.09 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1ot4 s VAL 101 CO 0.26 0.26 0.58 0.29 0.00 0.00 0.00 175.10 176.50