#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 3.37 -0.01 -0.41 0.04 -1.26 -5.07 135.00 131.65 1ot4 s PRO 2 Ca 0.00 1.16 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 1ot4 s PRO 2 Cb 0.00 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1ot4 s PRO 2 CO 0.00 -0.77 0.32 0.21 0.04 0.00 0.00 177.00 176.80 1ot4 s LYS 3 N -4.14 0.69 1.16 4.56 2.20 -1.26 -4.92 119.74 118.03 1ot4 s LYS 3 Ca 0.63 -0.20 -0.17 0.00 -0.36 0.00 0.00 55.97 55.86 1ot4 s LYS 3 Cb -0.15 0.31 0.18 0.00 -1.51 0.00 0.00 37.83 36.66 1ot4 s LYS 3 CO 0.37 -0.19 0.32 1.47 -0.36 0.00 0.00 175.35 176.96 1ot4 n LEU 4 N 1.22 -1.98 0.00 5.43 -0.00 -1.26 -4.94 117.00 115.47 1ot4 n LEU 4 Ca -0.21 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.54 1ot4 n LEU 4 Cb 0.56 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1ot4 n LEU 4 CO 0.22 -3.29 0.25 0.52 -0.00 0.00 0.00 177.39 175.09 1ot4 n VAL 5 N -4.70 0.00 -3.77 1.47 0.31 -1.26 -4.89 118.33 105.48 1ot4 n VAL 5 Ca 0.03 1.00 -0.13 0.00 -0.01 0.00 0.00 64.34 65.23 1ot4 n VAL 5 Cb 0.57 -1.86 -0.10 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.29 -0.24 0.21 4.52 0.01 -1.22 -5.05 113.70 109.64 1ot4 s SER 6 Ca 0.00 0.34 -0.18 0.00 1.31 0.00 0.00 55.95 57.42 1ot4 s SER 6 Cb 0.00 0.47 0.03 0.00 0.21 0.00 0.00 66.02 66.72 1ot4 s SER 6 CO 0.00 -0.26 0.54 -0.94 0.41 0.00 0.00 173.24 172.99 1ot4 s SER 7 N -0.55 -0.26 -0.39 2.44 1.04 -1.26 0.59 113.70 115.31 1ot4 s SER 7 Ca -0.07 -0.51 0.12 0.00 0.48 0.00 0.00 55.95 55.98 1ot4 s SER 7 Cb -0.04 0.59 0.37 0.00 0.10 0.00 0.00 66.02 67.05 1ot4 s SER 7 CO 0.02 -1.08 0.81 0.41 0.98 0.00 0.00 173.24 174.37 1ot4 n THR 8 N -0.36 0.48 0.07 2.02 -1.04 0.16 -4.92 114.28 110.70 1ot4 n THR 8 Ca -0.09 -4.42 -0.04 0.00 -2.04 0.00 0.00 64.05 57.46 1ot4 n THR 8 Cb 0.62 -0.24 -0.02 0.00 -1.82 0.00 0.00 70.33 68.87 1ot4 n THR 8 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1ot4 h PRO 9 N 2.98 -0.24 0.00 -2.82 0.13 -1.85 -1.39 132.00 128.82 1ot4 h PRO 9 Ca 0.07 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ot4 h PRO 9 Cb 0.96 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1ot4 h PRO 9 CO 0.55 -0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.16 1ot4 n ALA 10 N -2.55 0.00 -1.34 -0.56 0.00 -1.26 -4.56 120.51 110.24 1ot4 n ALA 10 Ca -0.03 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.87 1ot4 n ALA 10 Cb 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.43 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 0.19 -3.52 0.00 1.02 -1.26 0.01 120.64 117.07 1ot4 n GLU 11 Ca 0.00 0.04 -0.26 0.00 -0.02 0.00 0.00 57.16 56.92 1ot4 n GLU 11 Cb 0.00 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 29.68 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 7.10 -0.35 3.55 0.62 0.00 0.17 -4.74 105.19 111.54 1ot4 n GLY 12 Ca 0.55 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.54 5.60 -0.25 1.61 0.01 0.10 -4.76 113.70 113.47 1ot4 s SER 13 Ca 0.51 0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.82 1ot4 s SER 13 Cb -0.30 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.37 1ot4 s SER 13 CO 0.62 -2.16 0.08 -1.61 0.41 0.00 0.00 173.24 170.57 1ot4 s GLU 14 N 6.54 3.66 0.00 12.44 2.02 -1.26 -0.39 118.70 141.71 1ot4 s GLU 14 Ca 0.57 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.09 1ot4 s GLU 14 Cb -0.11 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.77 1ot4 s GLU 14 CO 0.20 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.69 1ot4 n GLY 15 N 4.93 1.26 3.74 -1.39 0.00 -1.25 -4.97 105.19 107.52 1ot4 n GLY 15 Ca -0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.03 0.06 4.61 0.00 -1.25 -0.84 121.76 122.32 1ot4 s ALA 16 Ca 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 51.96 52.02 1ot4 s ALA 16 Cb 0.00 0.56 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 1ot4 s ALA 16 CO 0.00 -1.07 0.79 0.00 0.00 0.00 0.00 175.76 175.49 1ot4 s ALA 17 N -2.55 3.36 1.01 0.00 0.00 -1.26 -4.61 121.76 117.71 1ot4 s ALA 17 Ca 0.17 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.30 1ot4 s ALA 17 Cb 0.02 -3.03 0.20 0.00 0.00 0.00 0.00 23.12 20.30 1ot4 s ALA 17 CO -0.01 0.07 1.19 -1.25 0.00 0.00 0.00 175.76 175.76 1ot4 s PRO 18 N -0.13 0.30 -0.04 0.00 0.04 -1.26 -5.01 135.00 128.90 1ot4 s PRO 18 Ca 0.39 -0.03 -0.22 0.00 0.04 0.00 0.00 61.00 61.19 1ot4 s PRO 18 Cb -0.21 -1.77 -0.16 0.00 0.04 0.00 0.00 34.50 32.39 1ot4 s PRO 18 CO 0.24 -2.70 0.94 0.00 0.04 0.00 0.00 177.00 175.52 1ot4 h ALA 19 N -1.86 -0.21 -2.39 8.56 0.00 -1.97 -3.48 119.26 117.93 1ot4 h ALA 19 Ca -0.47 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.12 1ot4 h ALA 19 Cb 1.29 0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.97 1ot4 h ALA 19 CO 0.47 -0.31 -0.11 -1.59 0.00 0.00 0.00 179.25 177.70 1ot4 s LYS 20 N -3.59 0.83 0.15 0.00 -2.85 -1.26 -4.72 119.74 108.30 1ot4 s LYS 20 Ca -0.13 -0.12 -0.25 0.00 -1.00 0.00 0.00 55.97 54.47 1ot4 s LYS 20 Cb 0.01 0.38 -0.08 0.00 -2.06 0.00 0.00 37.83 36.08 1ot4 s LYS 20 CO 0.51 -0.26 0.75 0.42 0.10 0.00 0.00 175.35 176.87 1ot4 s ILE 21 N -1.59 4.43 0.07 3.79 1.09 0.50 -4.87 121.20 124.61 1ot4 s ILE 21 Ca -0.11 1.64 0.05 0.00 -1.10 0.00 0.00 60.65 61.13 1ot4 s ILE 21 Cb -0.03 -4.11 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 1ot4 s ILE 21 CO 0.04 0.52 -0.06 -0.70 -0.10 0.00 0.00 174.94 174.64 1ot4 s GLU 22 N -1.08 2.40 -0.07 2.79 2.12 -0.52 -0.02 118.70 124.32 1ot4 s GLU 22 Ca 0.35 -0.87 -0.10 0.00 0.36 0.00 0.00 54.97 54.72 1ot4 s GLU 22 Cb -0.23 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.74 1ot4 s GLU 22 CO 0.25 0.55 0.25 -0.51 -0.54 0.00 0.00 175.26 175.26 1ot4 s LEU 23 N -1.99 1.07 0.05 2.70 1.43 0.14 0.35 118.68 122.42 1ot4 s LEU 23 Ca 0.21 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1ot4 s LEU 23 Cb -0.11 0.92 -0.04 0.00 0.03 0.00 0.00 46.19 46.99 1ot4 s LEU 23 CO 0.13 -0.19 -0.02 -1.00 0.23 0.00 0.00 176.35 175.50 1ot4 s HIS 24 N -0.33 0.47 -0.27 0.29 3.76 0.20 -1.38 115.29 118.03 1ot4 s HIS 24 Ca -0.04 -0.98 -0.02 0.00 -0.15 0.00 0.00 55.06 53.86 1ot4 s HIS 24 Cb -0.03 -0.35 0.16 0.00 1.11 0.00 0.00 32.58 33.46 1ot4 s HIS 24 CO 0.01 -0.36 0.48 -0.06 -0.85 0.00 0.00 174.74 173.96 1ot4 s PHE 25 N -3.59 -1.17 -1.19 1.40 0.40 -0.87 -3.44 117.98 109.52 1ot4 s PHE 25 Ca 0.04 1.27 0.14 0.00 -0.60 0.00 0.00 56.93 57.78 1ot4 s PHE 25 Cb 0.06 0.28 0.64 0.00 0.51 0.00 0.00 43.02 44.51 1ot4 s PHE 25 CO -0.09 -0.78 1.42 0.43 0.70 0.00 0.00 175.22 176.90 1ot4 n SER 26 N 5.40 0.00 -4.49 1.36 7.64 -1.26 -4.64 113.62 117.62 1ot4 n SER 26 Ca -0.03 0.32 -0.31 0.00 1.01 0.00 0.00 58.87 59.86 1ot4 n SER 26 Cb 0.50 -0.41 -0.12 0.00 -1.01 0.00 0.00 64.21 63.18 1ot4 n SER 26 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1ot4 s GLU 27 N -2.81 2.13 0.05 1.43 1.03 -1.26 -5.06 118.70 114.20 1ot4 s GLU 27 Ca 0.10 -0.96 -0.38 0.00 0.03 0.00 0.00 54.97 53.76 1ot4 s GLU 27 Cb 0.09 -2.24 -0.19 0.00 -0.80 0.00 0.00 34.13 30.99 1ot4 s GLU 27 CO 0.24 0.54 1.11 -1.71 -1.33 0.00 0.00 175.26 174.11 1ot4 n ASN 28 N 1.42 0.43 -3.94 0.83 4.05 -1.26 -4.90 115.26 111.89 1ot4 n ASN 28 Ca -0.16 1.15 -0.30 0.00 0.45 0.00 0.00 54.58 55.72 1ot4 n ASN 28 Cb 0.52 -1.01 -0.12 0.00 1.23 0.00 0.00 39.78 40.40 1ot4 n ASN 28 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1ot4 s LEU 29 N 0.38 4.70 0.80 1.20 2.96 -1.26 -4.90 118.68 122.56 1ot4 s LEU 29 Ca 0.86 -3.50 -0.11 0.00 -0.22 0.00 0.00 54.13 51.16 1ot4 s LEU 29 Cb -1.13 -1.66 0.07 0.00 0.50 0.00 0.00 46.19 43.97 1ot4 s LEU 29 CO 0.54 -0.15 1.09 -0.69 -1.32 0.00 0.00 176.35 175.81 1ot4 s VAL 30 N -0.97 3.18 -0.97 1.68 1.01 -1.26 -4.71 120.40 118.36 1ot4 s VAL 30 Ca 0.22 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 1ot4 s VAL 30 Cb -0.13 -2.93 0.33 0.00 0.00 0.00 0.00 36.38 33.64 1ot4 s VAL 30 CO -0.10 -0.50 1.88 1.07 0.00 0.00 0.00 175.10 177.46 1ot4 n THR 31 N -3.57 5.32 -0.12 3.92 5.66 -1.26 -4.29 114.28 119.93 1ot4 n THR 31 Ca 0.08 -5.46 -0.23 0.00 -3.05 0.00 0.00 64.05 55.39 1ot4 n THR 31 Cb 0.54 -1.45 -0.11 0.00 -1.55 0.00 0.00 70.33 67.76 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 -0.21 0.63 -0.58 1.09 1.13 -1.26 -4.78 117.38 113.40 1ot4 n GLN 32 Ca 0.49 0.22 -0.00 0.00 -1.94 0.00 0.00 57.00 55.77 1ot4 n GLN 32 Cb 0.25 -1.53 -0.00 0.00 0.11 0.00 0.00 30.24 29.07 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1ot4 n PHE 33 N -3.69 0.00 -3.50 1.08 3.72 -1.26 -5.09 117.46 108.72 1ot4 n PHE 33 Ca -0.48 -0.05 -0.35 0.00 -0.05 0.00 0.00 57.45 56.53 1ot4 n PHE 33 Cb 0.94 0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 39.53 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 -0.62 6.69 0.00 4.37 0.15 -1.26 -4.40 113.70 118.63 1ot4 s SER 34 Ca 0.02 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1ot4 s SER 34 Cb 0.02 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1ot4 s SER 34 CO -0.01 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1ot4 n GLY 35 N 0.80 -1.48 3.37 9.45 0.00 -0.32 -4.96 105.19 112.05 1ot4 n GLY 35 Ca -0.07 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.38 -1.24 -0.19 4.61 0.00 -1.26 0.18 121.76 122.48 1ot4 s ALA 36 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 1ot4 s ALA 36 Cb 0.00 0.31 0.08 0.00 0.00 0.00 0.00 23.12 23.51 1ot4 s ALA 36 CO 0.00 -0.46 0.43 0.15 0.00 0.00 0.00 175.76 175.88 1ot4 s LYS 37 N -2.24 0.37 -0.15 0.00 1.02 0.11 -4.88 119.74 113.96 1ot4 s LYS 37 Ca -0.06 0.96 -0.15 0.00 0.02 0.00 0.00 55.97 56.73 1ot4 s LYS 37 Cb -0.01 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.45 1ot4 s LYS 37 CO -0.00 -0.21 0.33 -1.17 -0.92 0.00 0.00 175.35 173.37 1ot4 s LEU 38 N 2.12 4.25 -0.03 3.17 2.96 -1.26 -0.97 118.68 128.93 1ot4 s LEU 38 Ca -0.05 0.56 0.06 0.00 -0.22 0.00 0.00 54.13 54.48 1ot4 s LEU 38 Cb -0.10 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 1ot4 s LEU 38 CO -0.13 0.07 -0.20 0.68 -1.32 0.00 0.00 176.35 175.46 1ot4 s VAL 39 N 0.53 1.58 -0.74 1.68 -7.23 -0.37 -0.61 120.40 115.24 1ot4 s VAL 39 Ca 0.18 -0.84 -0.19 0.00 -1.81 0.00 0.00 61.98 59.33 1ot4 s VAL 39 Cb -0.13 -1.33 0.12 0.00 0.56 0.00 0.00 36.38 35.60 1ot4 s VAL 39 CO 0.05 0.45 0.88 -0.32 -0.31 0.00 0.00 175.10 175.85 1ot4 s MET 40 N -0.30 3.30 -0.77 4.82 1.75 0.22 -0.53 119.30 127.78 1ot4 s MET 40 Ca 0.03 -1.55 0.03 0.00 -1.25 0.00 0.00 55.69 52.95 1ot4 s MET 40 Cb -0.09 -4.48 0.24 0.00 2.84 0.00 0.00 34.83 33.34 1ot4 s MET 40 CO 0.00 -1.61 0.85 -2.37 -0.65 0.00 0.00 175.02 171.24 1ot4 n THR 41 N 5.35 2.90 -0.40 10.11 5.66 -0.67 -3.50 114.28 133.73 1ot4 n THR 41 Ca 0.05 -5.29 -0.04 0.00 -3.05 0.00 0.00 64.05 55.72 1ot4 n THR 41 Cb 0.45 -2.15 -0.00 0.00 -1.55 0.00 0.00 70.33 67.08 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 1.31 -0.28 0.00 1.79 0.00 -0.73 -4.47 120.51 118.12 1ot4 n ALA 42 Ca 0.27 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.66 1ot4 n ALA 42 Cb 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1ot4 n ALA 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ot4 n MET 43 N -5.40 0.00 -2.44 0.00 1.56 -1.26 -4.38 117.12 105.20 1ot4 n MET 43 Ca 0.08 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.08 1ot4 n MET 43 Cb 0.36 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.70 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 0.00 4.34 0.00 2.12 0.04 -1.25 -4.27 135.00 135.97 1ot4 s PRO 44 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1ot4 s PRO 44 Cb 0.00 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1ot4 s PRO 44 CO 0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1ot4 n GLY 45 N 3.41 0.36 3.14 0.56 0.00 -1.26 -5.04 105.19 106.35 1ot4 n GLY 45 Ca 0.11 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1ot4 n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ot4 s MET 46 N 0.00 3.32 -0.40 1.61 -1.94 -1.26 -4.86 119.30 115.77 1ot4 s MET 46 Ca 0.00 -3.20 -0.33 0.00 -1.71 0.00 0.00 55.69 50.46 1ot4 s MET 46 Cb 0.00 -4.01 0.05 0.00 2.01 0.00 0.00 34.83 32.88 1ot4 s MET 46 CO 0.00 -1.26 0.59 -1.91 -0.01 0.00 0.00 175.02 172.43 1ot4 n GLU 47 N 2.50 -1.83 -2.91 2.03 2.13 -1.26 -4.98 120.64 116.32 1ot4 n GLU 47 Ca 0.20 1.44 0.01 0.00 0.66 0.00 0.00 57.16 59.48 1ot4 n GLU 47 Cb 0.38 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1ot4 n GLU 47 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1ot4 s HIS 48 N -1.52 -0.82 0.48 4.31 3.76 -1.26 -5.10 115.29 115.14 1ot4 s HIS 48 Ca 0.33 0.11 -0.05 0.00 -0.15 0.00 0.00 55.06 55.30 1ot4 s HIS 48 Cb -0.04 0.15 -0.03 0.00 1.11 0.00 0.00 32.58 33.77 1ot4 s HIS 48 CO 0.78 -0.56 0.79 -1.12 -0.85 0.00 0.00 174.74 173.77 1ot4 s SER 49 N 1.89 6.22 -0.10 1.40 0.01 -1.26 -3.89 113.70 117.99 1ot4 s SER 49 Ca 0.15 0.90 -0.30 0.00 1.31 0.00 0.00 55.95 58.02 1ot4 s SER 49 Cb 0.01 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1ot4 s SER 49 CO -0.12 -0.60 1.25 -2.16 0.41 0.00 0.00 173.24 172.02 1ot4 s PRO 50 N -4.74 4.30 0.13 12.44 0.04 -1.26 -4.81 135.00 141.09 1ot4 s PRO 50 Ca 0.48 1.70 0.08 0.00 0.04 0.00 0.00 61.00 63.30 1ot4 s PRO 50 Cb -0.10 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1ot4 s PRO 50 CO 0.45 -0.57 -0.20 -1.64 0.04 0.00 0.00 177.00 175.08 1ot4 s MET 51 N 2.77 1.19 0.39 4.56 -1.94 -1.23 -4.98 119.30 120.07 1ot4 s MET 51 Ca 0.56 -1.26 -0.16 0.00 -1.71 0.00 0.00 55.69 53.12 1ot4 s MET 51 Cb -0.24 -1.39 -0.09 0.00 2.01 0.00 0.00 34.83 35.12 1ot4 s MET 51 CO 0.19 0.31 0.84 0.00 -0.01 0.00 0.00 175.02 176.35 1ot4 s ALA 52 N -1.49 3.21 0.34 3.03 0.00 -1.26 0.69 121.76 126.28 1ot4 s ALA 52 Ca 0.10 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.26 1ot4 s ALA 52 Cb -0.08 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 1ot4 s ALA 52 CO 0.05 0.14 0.33 0.54 0.00 0.00 0.00 175.76 176.82 1ot4 s VAL 53 N -2.20 3.51 -0.64 0.00 0.11 0.22 -4.76 120.40 116.64 1ot4 s VAL 53 Ca 0.57 -1.32 -0.22 0.00 -2.93 0.00 0.00 61.98 58.08 1ot4 s VAL 53 Cb -0.10 -3.19 0.07 0.00 -1.53 0.00 0.00 36.38 31.63 1ot4 s VAL 53 CO 0.20 -0.15 0.94 -0.54 -3.33 0.00 0.00 175.10 172.22 1ot4 s LYS 54 N -4.03 3.13 0.26 1.54 1.02 -1.26 -4.81 119.74 115.58 1ot4 s LYS 54 Ca 0.42 -0.81 -0.07 0.00 0.02 0.00 0.00 55.97 55.54 1ot4 s LYS 54 Cb -0.06 -4.21 -0.01 0.00 -0.52 0.00 0.00 37.83 33.03 1ot4 s LYS 54 CO 0.27 -1.75 0.38 0.00 -0.92 0.00 0.00 175.35 173.33 1ot4 s ALA 55 N 3.93 0.42 -0.03 5.17 0.00 -1.26 -1.76 121.76 128.22 1ot4 s ALA 55 Ca 0.22 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 1ot4 s ALA 55 Cb -0.17 1.18 0.01 0.00 0.00 0.00 0.00 23.12 24.14 1ot4 s ALA 55 CO 0.11 -0.76 0.10 0.00 0.00 0.00 0.00 175.76 175.21 1ot4 s ALA 56 N -3.81 -0.25 -0.21 0.00 0.00 -0.74 -4.84 121.76 111.90 1ot4 s ALA 56 Ca 0.29 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.31 1ot4 s ALA 56 Cb 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1ot4 s ALA 56 CO 0.13 -0.07 0.37 0.54 0.00 0.00 0.00 175.76 176.73 1ot4 s VAL 57 N -0.18 5.21 -0.02 0.00 0.11 -1.26 -1.34 120.40 122.93 1ot4 s VAL 57 Ca -0.02 0.65 0.03 0.00 -2.93 0.00 0.00 61.98 59.70 1ot4 s VAL 57 Cb -0.02 -3.70 -0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1ot4 s VAL 57 CO 0.00 0.26 -0.11 -0.44 -3.33 0.00 0.00 175.10 171.48 1ot4 s SER 58 N 1.07 1.29 0.38 3.54 0.01 -0.45 -4.99 113.70 114.55 1ot4 s SER 58 Ca 0.18 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.26 1ot4 s SER 58 Cb -0.15 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 1ot4 s SER 58 CO 0.08 0.11 0.57 -0.83 0.41 0.00 0.00 173.24 173.58 1ot4 s GLY 59 N -0.09 1.48 -1.02 3.44 0.00 -1.26 0.55 107.32 110.43 1ot4 s GLY 59 Ca 0.01 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 43.59 1ot4 s GLY 59 CO -0.00 -1.00 1.33 0.61 0.00 0.00 0.00 173.10 174.04 1ot4 n GLY 60 N -1.86 5.01 5.00 0.20 0.00 -1.11 -4.87 105.19 107.55 1ot4 n GLY 60 Ca -0.01 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.33 1ot4 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ot4 n GLY 61 N 1.41 1.04 3.76 -0.02 0.00 -1.26 -4.84 105.19 105.28 1ot4 n GLY 61 Ca 0.26 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 7.26 0.00 1.61 1.01 -1.26 -4.91 116.67 120.38 1ot4 s ASP 62 Ca 0.00 2.27 0.24 0.00 0.71 0.00 0.00 52.55 55.77 1ot4 s ASP 62 Cb 0.00 -2.63 1.32 0.00 1.01 0.00 0.00 42.92 42.63 1ot4 s ASP 62 CO 0.00 -0.15 1.78 -0.81 0.21 0.00 0.00 175.17 176.20 1ot4 n PRO 63 N 1.23 0.58 0.04 8.23 -0.04 -1.26 -2.01 135.00 141.77 1ot4 n PRO 63 Ca -0.01 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1ot4 n PRO 63 Cb 0.45 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.11 0.34 -4.34 0.54 2.85 -1.26 -4.38 118.16 110.80 1ot4 n LYS 64 Ca 0.15 0.01 -0.34 0.00 -1.05 0.00 0.00 58.31 57.08 1ot4 n LYS 64 Cb 0.12 -1.62 -0.11 0.00 -0.65 0.00 0.00 35.03 32.77 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 -3.23 4.16 0.04 0.58 2.01 -0.85 -2.04 115.64 116.31 1ot4 s THR 65 Ca 0.03 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1ot4 s THR 65 Cb 0.14 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1ot4 s THR 65 CO 0.80 0.53 -0.10 -0.04 -0.69 0.00 0.00 174.62 175.11 1ot4 s MET 66 N -0.10 0.68 -0.14 4.92 -1.94 -0.48 -2.76 119.30 119.48 1ot4 s MET 66 Ca 0.03 -0.73 -0.04 0.00 -1.71 0.00 0.00 55.69 53.24 1ot4 s MET 66 Cb -0.13 -0.59 0.07 0.00 2.01 0.00 0.00 34.83 36.19 1ot4 s MET 66 CO 0.02 0.13 0.25 0.14 -0.01 0.00 0.00 175.02 175.55 1ot4 s VAL 67 N -1.06 -0.39 -0.12 -6.03 -7.23 0.19 0.26 120.40 106.03 1ot4 s VAL 67 Ca -0.04 0.20 -0.24 0.00 -1.81 0.00 0.00 61.98 60.10 1ot4 s VAL 67 Cb -0.08 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 1ot4 s VAL 67 CO 0.01 0.05 0.73 -0.63 -0.31 0.00 0.00 175.10 174.95 1ot4 s ILE 68 N 2.39 4.99 -0.20 -0.62 1.09 0.97 -1.34 121.20 128.48 1ot4 s ILE 68 Ca 0.03 1.47 -0.00 0.00 -1.10 0.00 0.00 60.65 61.05 1ot4 s ILE 68 Cb -0.13 -4.06 0.05 0.00 -1.06 0.00 0.00 42.46 37.27 1ot4 s ILE 68 CO -0.09 0.16 -0.03 -0.89 -0.10 0.00 0.00 174.94 173.98 1ot4 s THR 69 N 1.40 1.18 0.16 2.92 2.01 -0.45 -0.37 115.64 122.49 1ot4 s THR 69 Ca 0.37 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 1ot4 s THR 69 Cb -0.17 -1.47 -0.07 0.00 0.01 0.00 0.00 72.50 70.80 1ot4 s THR 69 CO 0.15 -0.05 1.13 -2.16 -0.69 0.00 0.00 174.62 173.00 1ot4 s PRO 70 N 1.57 4.55 0.46 4.92 0.04 -1.26 -1.80 135.00 143.48 1ot4 s PRO 70 Ca -0.03 1.74 0.26 0.00 0.04 0.00 0.00 61.00 63.01 1ot4 s PRO 70 Cb -0.17 -3.29 0.79 0.00 0.04 0.00 0.00 34.50 31.87 1ot4 s PRO 70 CO -0.07 -0.01 1.77 0.00 0.04 0.00 0.00 177.00 178.73 1ot4 h ALA 71 N 5.42 0.97 -2.66 8.56 0.00 -1.67 -3.45 119.26 126.43 1ot4 h ALA 71 Ca -0.44 -0.11 -0.61 0.00 0.00 0.00 0.00 54.91 53.76 1ot4 h ALA 71 Cb 1.21 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 1ot4 h ALA 71 CO 0.74 0.15 -0.71 0.45 0.00 0.00 0.00 179.25 179.88 1ot4 s SER 72 N -6.07 4.18 0.04 0.00 0.15 -1.19 -5.07 113.70 105.74 1ot4 s SER 72 Ca 0.03 -0.69 -0.30 0.00 0.70 0.00 0.00 55.95 55.69 1ot4 s SER 72 Cb 0.08 -0.66 -0.05 0.00 -1.71 0.00 0.00 66.02 63.68 1ot4 s SER 72 CO 0.63 0.06 1.18 -2.16 1.20 0.00 0.00 173.24 174.15 1ot4 s PRO 73 N -3.17 4.43 -0.28 5.44 0.04 -1.26 -4.98 135.00 135.23 1ot4 s PRO 73 Ca 0.27 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1ot4 s PRO 73 Cb -0.07 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1ot4 s PRO 73 CO 0.16 -0.26 1.27 -0.51 0.04 0.00 0.00 177.00 177.70 1ot4 s LEU 74 N 1.22 3.93 0.58 -3.56 1.43 -1.26 -5.01 118.68 116.02 1ot4 s LEU 74 Ca 0.58 1.27 -0.07 0.00 -1.03 0.00 0.00 54.13 54.88 1ot4 s LEU 74 Cb -0.28 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.40 1ot4 s LEU 74 CO 0.28 -1.01 0.91 0.42 0.23 0.00 0.00 176.35 177.18 1ot4 s THR 75 N 4.16 3.99 1.03 5.49 -4.23 -1.26 -4.67 115.64 120.15 1ot4 s THR 75 Ca 0.55 0.17 -0.19 0.00 -1.18 0.00 0.00 61.69 61.04 1ot4 s THR 75 Cb -0.17 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 70.13 1ot4 s THR 75 CO 0.21 -0.62 -0.35 0.00 -0.54 0.00 0.00 174.62 173.32 1ot4 n ALA 76 N -2.57 -3.28 0.00 3.99 0.00 -1.26 -4.81 120.51 112.58 1ot4 n ALA 76 Ca 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1ot4 n ALA 76 Cb 0.57 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 2.59 0.12 3.06 0.00 0.00 0.17 -4.86 105.19 106.26 1ot4 n GLY 77 Ca 0.01 -2.07 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 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 0.18 2.61 2.01 -1.26 0.08 115.64 120.16 1ot4 s THR 78 Ca 0.00 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1ot4 s THR 78 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1ot4 s THR 78 CO 0.00 0.24 0.11 -0.31 -0.69 0.00 0.00 174.62 173.97 1ot4 s TYR 79 N -0.28 1.07 -0.04 4.92 1.51 -0.54 -1.68 117.35 122.31 1ot4 s TYR 79 Ca 0.04 -1.33 -0.02 0.00 -1.01 0.00 0.00 57.07 54.75 1ot4 s TYR 79 Cb -0.04 -0.54 0.03 0.00 -0.11 0.00 0.00 41.96 41.30 1ot4 s TYR 79 CO -0.00 -0.60 0.07 0.15 -1.11 0.00 0.00 175.55 174.06 1ot4 s LYS 80 N -4.12 -0.05 -0.53 -0.62 1.02 0.31 -1.52 119.74 114.22 1ot4 s LYS 80 Ca 0.34 0.37 -0.17 0.00 0.02 0.00 0.00 55.97 56.53 1ot4 s LYS 80 Cb 0.07 -0.41 0.11 0.00 -0.52 0.00 0.00 37.83 37.08 1ot4 s LYS 80 CO 0.09 -0.29 0.53 0.08 -0.92 0.00 0.00 175.35 174.84 1ot4 s VAL 81 N 1.92 5.11 -0.24 3.17 1.01 0.35 -1.23 120.40 130.48 1ot4 s VAL 81 Ca 0.01 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.54 1ot4 s VAL 81 Cb -0.12 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1ot4 s VAL 81 CO -0.04 -0.85 0.74 -1.81 0.00 0.00 0.00 175.10 173.14 1ot4 s ASP 82 N 3.32 6.72 0.26 3.32 1.11 -0.14 0.36 116.67 131.62 1ot4 s ASP 82 Ca 0.06 0.89 0.11 0.00 0.18 0.00 0.00 52.55 53.79 1ot4 s ASP 82 Cb -0.27 -2.39 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 1ot4 s ASP 82 CO 0.05 -0.44 -0.12 -1.66 1.18 0.00 0.00 175.17 174.18 1ot4 s TRP 83 N 2.64 2.47 -0.04 4.23 1.48 0.51 0.07 118.94 130.31 1ot4 s TRP 83 Ca 0.31 -0.28 -0.07 0.00 -1.06 0.00 0.00 56.10 55.00 1ot4 s TRP 83 Cb -0.15 -1.10 0.01 0.00 -1.16 0.00 0.00 33.47 31.07 1ot4 s TRP 83 CO 0.08 0.65 0.17 1.03 -4.06 0.00 0.00 176.95 174.82 1ot4 s ARG 84 N -3.45 0.35 0.17 3.25 0.52 0.13 -0.50 118.95 119.42 1ot4 s ARG 84 Ca 0.29 -0.02 0.09 0.00 -0.52 0.00 0.00 55.73 55.57 1ot4 s ARG 84 Cb -0.06 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 1ot4 s ARG 84 CO 0.16 -0.07 -0.19 0.00 0.02 0.00 0.00 175.30 175.23 1ot4 s ALA 85 N -0.56 2.05 0.49 2.13 0.00 0.79 -1.17 121.76 125.49 1ot4 s ALA 85 Ca -0.06 -1.51 0.07 0.00 0.00 0.00 0.00 51.96 50.46 1ot4 s ALA 85 Cb -0.04 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1ot4 s ALA 85 CO 0.01 0.25 0.45 0.54 0.00 0.00 0.00 175.76 177.00 1ot4 s VAL 86 N -2.04 2.17 0.18 0.00 0.11 -1.26 -0.60 120.40 118.96 1ot4 s VAL 86 Ca 0.16 -1.36 0.01 0.00 -2.93 0.00 0.00 61.98 57.86 1ot4 s VAL 86 Cb -0.06 -2.53 -0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1ot4 s VAL 86 CO 0.07 0.00 0.03 -1.54 -3.33 0.00 0.00 175.10 170.33 1ot4 n SER 87 N -1.73 1.73 -0.09 3.54 3.41 -1.26 -4.79 113.62 114.42 1ot4 n SER 87 Ca 0.03 -1.88 -0.15 0.00 -0.26 0.00 0.00 58.87 56.60 1ot4 n SER 87 Cb 0.63 0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.80 1ot4 n SER 87 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ot4 n SER 88 N -1.52 1.86 -0.01 4.04 2.88 -1.26 -4.76 113.62 114.86 1ot4 n SER 88 Ca -0.05 0.49 -0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1ot4 n SER 88 Cb 0.25 -0.90 -0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1ot4 n SER 88 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ot4 h ASP 89 N -1.00 0.00 -5.58 -3.46 3.32 -2.04 -3.51 116.42 104.15 1ot4 h ASP 89 Ca -0.23 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.05 1ot4 h ASP 89 Cb 1.02 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 1ot4 h ASP 89 CO -0.14 0.05 0.71 0.28 -1.72 0.00 0.00 179.24 178.43 1ot4 s THR 90 N -1.07 0.00 -0.14 0.35 -1.32 -1.26 -5.10 115.64 107.10 1ot4 s THR 90 Ca -0.00 -0.42 -0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1ot4 s THR 90 Cb 0.00 -2.95 0.00 0.00 -1.51 0.00 0.00 72.50 68.04 1ot4 s THR 90 CO 0.00 0.00 0.00 1.41 -2.21 0.00 0.00 174.62 173.82 1ot4 n HIS 91 N -0.79 -1.85 -0.64 9.09 8.25 -1.26 -4.79 115.22 123.23 1ot4 n HIS 91 Ca -0.00 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 1ot4 n HIS 91 Cb 0.59 -2.66 0.00 0.00 1.12 0.00 0.00 29.99 29.04 1ot4 n HIS 91 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ot4 n PRO 92 N 0.33 -0.28 -4.01 -0.41 -0.04 -1.26 -4.57 135.00 124.75 1ot4 n PRO 92 Ca -0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1ot4 n PRO 92 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 1ot4 n PRO 92 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ot4 s ILE 93 N -0.86 0.22 -0.03 0.52 2.07 0.23 -4.97 121.20 118.38 1ot4 s ILE 93 Ca 0.00 -0.07 0.06 0.00 -1.41 0.00 0.00 60.65 59.23 1ot4 s ILE 93 Cb 0.00 -0.22 -0.01 0.00 0.13 0.00 0.00 42.46 42.35 1ot4 s ILE 93 CO 0.00 0.09 -0.22 0.42 -1.91 0.00 0.00 174.94 173.32 1ot4 s THR 94 N 0.21 1.76 0.18 4.00 -4.23 -1.26 -0.15 115.64 116.15 1ot4 s THR 94 Ca -0.02 -0.93 -0.19 0.00 -1.18 0.00 0.00 61.69 59.37 1ot4 s THR 94 Cb -0.04 -1.47 0.04 0.00 1.34 0.00 0.00 72.50 72.36 1ot4 s THR 94 CO -0.01 0.50 0.53 -0.83 -0.54 0.00 0.00 174.62 174.27 1ot4 s GLY 95 N -0.35 -0.23 0.06 3.99 0.00 0.35 -4.92 107.32 106.21 1ot4 s GLY 95 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.62 1ot4 s GLY 95 CO 0.01 -0.18 0.20 -0.56 0.00 0.00 0.00 173.10 172.56 1ot4 s SER 96 N -2.84 0.06 -0.20 1.64 0.01 -1.26 0.19 113.70 111.31 1ot4 s SER 96 Ca 0.06 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 1ot4 s SER 96 Cb -0.01 0.31 0.06 0.00 0.21 0.00 0.00 66.02 66.59 1ot4 s SER 96 CO -0.06 -0.62 0.00 -0.69 0.41 0.00 0.00 173.24 172.28 1ot4 s VAL 97 N -3.06 0.87 0.11 3.43 1.01 0.16 -4.93 120.40 117.99 1ot4 s VAL 97 Ca -0.01 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 1ot4 s VAL 97 Cb 0.01 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 1ot4 s VAL 97 CO -0.07 -0.14 0.60 0.28 0.00 0.00 0.00 175.10 175.77 1ot4 s THR 98 N 1.70 4.71 -0.02 3.92 -1.32 -1.26 -0.50 115.64 122.87 1ot4 s THR 98 Ca -0.02 1.19 -0.17 0.00 -1.21 0.00 0.00 61.69 61.48 1ot4 s THR 98 Cb -0.17 -3.88 0.03 0.00 -1.51 0.00 0.00 72.50 66.96 1ot4 s THR 98 CO -0.07 0.46 0.36 0.72 -2.21 0.00 0.00 174.62 173.88 1ot4 s PHE 99 N -1.22 -0.25 0.35 9.09 -0.12 -0.57 0.46 117.98 125.73 1ot4 s PHE 99 Ca 0.32 0.39 0.07 0.00 -0.05 0.00 0.00 56.93 57.66 1ot4 s PHE 99 Cb -0.19 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.33 1ot4 s PHE 99 CO 0.20 -0.42 0.41 0.15 -0.05 0.00 0.00 175.22 175.51 1ot4 s LYS 100 N -1.30 2.89 -0.18 1.99 3.01 0.48 -1.46 119.74 125.17 1ot4 s LYS 100 Ca -0.13 -1.19 -0.04 0.00 -1.01 0.00 0.00 55.97 53.60 1ot4 s LYS 100 Cb -0.04 -2.65 0.08 0.00 -1.01 0.00 0.00 37.83 34.21 1ot4 s LYS 100 CO 0.05 0.01 0.21 0.08 0.51 0.00 0.00 175.35 176.21 1ot4 s VAL 101 N -2.27 -0.32 -2.62 3.17 1.01 0.11 -3.74 120.40 115.74 1ot4 s VAL 101 Ca 0.45 -0.02 0.21 0.00 0.00 0.00 0.00 61.98 62.62 1ot4 s VAL 101 Cb -0.08 -0.61 0.17 0.00 0.00 0.00 0.00 36.38 35.86 1ot4 s VAL 101 CO 0.29 -0.13 1.16 0.29 0.00 0.00 0.00 175.10 176.71