#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 1.99 -3.75 -0.41 -0.04 -1.26 -4.75 135.00 126.78 1ot4 n PRO 2 Ca 0.00 -1.14 -0.10 0.00 -0.04 0.00 0.00 63.50 62.22 1ot4 n PRO 2 Cb 0.00 -2.15 -0.06 0.00 -0.04 0.00 0.00 33.50 31.25 1ot4 n PRO 2 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ot4 s LYS 3 N 2.03 0.95 1.04 0.54 -2.85 -1.26 -4.45 119.74 115.75 1ot4 s LYS 3 Ca 0.51 -0.84 -0.14 0.00 -1.00 0.00 0.00 55.97 54.50 1ot4 s LYS 3 Cb 0.20 0.40 0.12 0.00 -2.06 0.00 0.00 37.83 36.49 1ot4 s LYS 3 CO -0.02 -0.34 0.49 1.47 0.10 0.00 0.00 175.35 177.05 1ot4 n LEU 4 N -0.14 -0.64 0.00 2.77 -0.00 -1.26 -4.97 117.00 112.76 1ot4 n LEU 4 Ca -0.15 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1ot4 n LEU 4 Cb 0.63 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 1ot4 n LEU 4 CO 0.20 -3.18 0.14 0.52 -0.00 0.00 0.00 177.39 175.07 1ot4 n VAL 5 N -4.23 0.00 -4.07 1.47 0.31 -1.25 -4.94 118.33 105.62 1ot4 n VAL 5 Ca 0.05 0.74 -0.11 0.00 -0.01 0.00 0.00 64.34 65.00 1ot4 n VAL 5 Cb 0.56 -1.64 -0.11 0.00 -0.91 0.00 0.00 33.84 31.75 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 -1.90 0.77 0.24 4.52 0.01 -1.24 -5.05 113.70 111.04 1ot4 s SER 6 Ca 0.00 -0.68 -0.18 0.00 1.31 0.00 0.00 55.95 56.40 1ot4 s SER 6 Cb 0.00 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.33 1ot4 s SER 6 CO 0.00 -0.32 0.58 -0.94 0.41 0.00 0.00 173.24 172.98 1ot4 s SER 7 N -2.00 -0.23 -0.38 2.44 1.04 -1.26 0.48 113.70 113.78 1ot4 s SER 7 Ca -0.05 -0.61 0.12 0.00 0.48 0.00 0.00 55.95 55.89 1ot4 s SER 7 Cb -0.05 0.63 0.35 0.00 0.10 0.00 0.00 66.02 67.06 1ot4 s SER 7 CO -0.02 -1.17 0.75 0.41 0.98 0.00 0.00 173.24 174.19 1ot4 n THR 8 N -0.39 0.08 0.06 2.02 -1.04 0.15 -4.92 114.28 110.24 1ot4 n THR 8 Ca -0.06 -4.60 -0.03 0.00 -2.04 0.00 0.00 64.05 57.31 1ot4 n THR 8 Cb 0.61 -0.30 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 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 3.00 -0.20 0.00 -2.82 0.13 -1.87 -1.31 132.00 128.93 1ot4 h PRO 9 Ca 0.10 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ot4 h PRO 9 Cb 0.95 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ot4 h PRO 9 CO 0.52 -0.14 0.00 0.00 -0.23 0.00 0.00 178.00 178.16 1ot4 n ALA 10 N -2.46 0.00 -1.34 -0.56 0.00 -1.26 -4.54 120.51 110.34 1ot4 n ALA 10 Ca -0.03 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.87 1ot4 n ALA 10 Cb 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.42 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 0.29 -3.21 0.00 1.02 -1.26 0.83 120.64 118.31 1ot4 n GLU 11 Ca 0.00 0.07 -0.18 0.00 -0.02 0.00 0.00 57.16 57.04 1ot4 n GLU 11 Cb 0.00 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 29.62 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 -0.47 3.55 0.62 0.00 0.17 -4.77 105.19 111.39 1ot4 n GLY 12 Ca 0.53 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 46.21 1ot4 n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ot4 s SER 13 N -2.49 5.27 -0.23 1.61 0.15 0.24 -4.73 113.70 113.52 1ot4 s SER 13 Ca 0.30 0.28 -0.06 0.00 0.70 0.00 0.00 55.95 57.18 1ot4 s SER 13 Cb -0.17 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 1ot4 s SER 13 CO 0.37 -2.40 0.02 -1.61 1.20 0.00 0.00 173.24 170.82 1ot4 s GLU 14 N 7.04 3.54 0.00 5.44 2.02 -1.26 -0.09 118.70 135.39 1ot4 s GLU 14 Ca 0.67 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.12 1ot4 s GLU 14 Cb -0.12 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1ot4 s GLU 14 CO 0.19 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.72 1ot4 n GLY 15 N 4.78 1.80 3.68 -1.39 0.00 -1.24 -4.95 105.19 107.87 1ot4 n GLY 15 Ca -0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.78 0.26 4.61 0.00 -1.25 -0.77 121.76 122.84 1ot4 s ALA 16 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 1ot4 s ALA 16 Cb 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 23.12 23.56 1ot4 s ALA 16 CO 0.00 -0.95 1.20 0.00 0.00 0.00 0.00 175.76 176.00 1ot4 s ALA 17 N -3.11 3.45 0.04 0.00 0.00 -1.26 -4.57 121.76 116.31 1ot4 s ALA 17 Ca 0.11 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.79 1ot4 s ALA 17 Cb -0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1ot4 s ALA 17 CO -0.01 -0.37 1.17 -1.25 0.00 0.00 0.00 175.76 175.30 1ot4 s PRO 18 N -1.13 4.44 0.19 0.00 0.04 -1.26 -4.93 135.00 132.35 1ot4 s PRO 18 Ca 0.49 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 1ot4 s PRO 18 Cb -0.35 -3.38 0.16 0.00 0.04 0.00 0.00 34.50 30.98 1ot4 s PRO 18 CO 0.43 -0.25 1.60 0.00 0.04 0.00 0.00 177.00 178.83 1ot4 h ALA 19 N 6.85 0.12 -2.31 8.56 0.00 -1.93 -3.43 119.26 127.13 1ot4 h ALA 19 Ca -0.41 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1ot4 h ALA 19 Cb 1.21 0.65 -0.21 0.00 0.00 0.00 0.00 17.79 19.44 1ot4 h ALA 19 CO 0.81 -0.58 -0.05 -1.59 0.00 0.00 0.00 179.25 177.84 1ot4 s LYS 20 N -6.09 0.79 0.06 0.00 -2.85 -1.26 -4.82 119.74 105.57 1ot4 s LYS 20 Ca -0.14 0.28 -0.20 0.00 -1.00 0.00 0.00 55.97 54.91 1ot4 s LYS 20 Cb 0.17 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 36.25 1ot4 s LYS 20 CO 0.71 -0.20 0.58 0.42 0.10 0.00 0.00 175.35 176.96 1ot4 s ILE 21 N -0.74 4.77 0.09 3.79 1.09 0.31 -4.86 121.20 125.65 1ot4 s ILE 21 Ca -0.08 1.24 0.06 0.00 -1.10 0.00 0.00 60.65 60.76 1ot4 s ILE 21 Cb -0.03 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 1ot4 s ILE 21 CO 0.05 0.52 -0.05 -0.70 -0.10 0.00 0.00 174.94 174.66 1ot4 s GLU 22 N -0.90 2.34 -0.06 2.79 2.12 -0.49 0.29 118.70 124.78 1ot4 s GLU 22 Ca 0.30 -0.93 -0.11 0.00 0.36 0.00 0.00 54.97 54.59 1ot4 s GLU 22 Cb -0.19 -2.42 0.02 0.00 0.26 0.00 0.00 34.13 31.80 1ot4 s GLU 22 CO 0.19 0.53 0.26 -0.51 -0.54 0.00 0.00 175.26 175.19 1ot4 s LEU 23 N -2.22 1.03 0.09 2.70 1.43 0.17 0.33 118.68 122.21 1ot4 s LEU 23 Ca 0.23 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1ot4 s LEU 23 Cb -0.11 0.99 -0.04 0.00 0.03 0.00 0.00 46.19 47.06 1ot4 s LEU 23 CO 0.16 -0.24 -0.08 -1.00 0.23 0.00 0.00 176.35 175.41 1ot4 s HIS 24 N -0.54 0.93 -0.25 0.29 3.76 0.18 -1.48 115.29 118.17 1ot4 s HIS 24 Ca -0.06 -0.77 -0.05 0.00 -0.15 0.00 0.00 55.06 54.03 1ot4 s HIS 24 Cb -0.04 -0.53 0.13 0.00 1.11 0.00 0.00 32.58 33.26 1ot4 s HIS 24 CO 0.02 -0.08 0.48 -0.06 -0.85 0.00 0.00 174.74 174.25 1ot4 s PHE 25 N -2.92 -1.06 -0.76 1.40 0.40 -0.95 -3.72 117.98 110.36 1ot4 s PHE 25 Ca 0.07 1.46 0.19 0.00 -0.60 0.00 0.00 56.93 58.05 1ot4 s PHE 25 Cb 0.00 0.34 0.79 0.00 0.51 0.00 0.00 43.02 44.66 1ot4 s PHE 25 CO -0.02 -0.67 1.58 -1.13 0.70 0.00 0.00 175.22 175.68 1ot4 n SER 26 N 5.40 0.31 -4.27 1.36 3.41 -1.26 -4.64 113.62 113.93 1ot4 n SER 26 Ca -0.06 0.57 -0.28 0.00 -0.26 0.00 0.00 58.87 58.85 1ot4 n SER 26 Cb 0.50 -0.64 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 1ot4 n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ot4 s GLU 27 N -3.14 1.64 0.03 4.33 0.41 -1.26 -5.08 118.70 115.63 1ot4 s GLU 27 Ca 0.06 -0.92 -0.38 0.00 -0.41 0.00 0.00 54.97 53.31 1ot4 s GLU 27 Cb 0.09 -1.70 -0.19 0.00 -1.78 0.00 0.00 34.13 30.55 1ot4 s GLU 27 CO 0.33 0.45 1.04 -1.71 -0.49 0.00 0.00 175.26 174.87 1ot4 n ASN 28 N 2.10 0.02 -0.03 -0.19 5.15 -1.26 -4.87 115.26 116.17 1ot4 n ASN 28 Ca -0.16 1.15 -0.09 0.00 -0.60 0.00 0.00 54.58 54.88 1ot4 n ASN 28 Cb 0.53 -0.95 -0.07 0.00 -0.53 0.00 0.00 39.78 38.75 1ot4 n ASN 28 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1ot4 h LEU 29 N 2.93 -0.04 -1.24 1.20 7.12 -1.85 -3.46 115.31 119.95 1ot4 h LEU 29 Ca -0.48 -0.51 0.00 0.00 0.13 0.00 0.00 57.88 57.01 1ot4 h LEU 29 Cb 1.42 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.56 1ot4 h LEU 29 CO 0.65 0.68 -0.85 0.52 -0.13 0.00 0.00 178.44 179.32 1ot4 n VAL 30 N -4.74 -8.45 -2.15 1.05 0.31 -1.26 -4.25 118.33 98.83 1ot4 n VAL 30 Ca -0.06 2.68 -0.42 0.00 -0.01 0.00 0.00 64.34 66.53 1ot4 n VAL 30 Cb 0.27 -4.08 0.00 0.00 -0.91 0.00 0.00 33.84 29.12 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 0.99 4.52 -0.13 2.52 5.66 -1.26 -4.45 114.28 122.13 1ot4 n THR 31 Ca 0.00 -4.20 -0.28 0.00 -3.05 0.00 0.00 64.05 56.52 1ot4 n THR 31 Cb 0.00 -2.31 -0.10 0.00 -1.55 0.00 0.00 70.33 66.37 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 3.42 0.56 -0.43 1.09 -0.06 -1.26 -4.82 117.38 115.89 1ot4 n GLN 32 Ca 0.48 0.24 0.00 0.00 -2.00 0.00 0.00 57.00 55.72 1ot4 n GLN 32 Cb 0.33 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 25.07 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 -4.14 0.00 -2.31 3.69 3.01 -1.26 -5.11 117.46 111.33 1ot4 n PHE 33 Ca -0.52 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 57.69 1ot4 n PHE 33 Cb 0.87 0.04 0.08 0.00 -0.01 0.00 0.00 39.48 40.47 1ot4 n PHE 33 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1ot4 s SER 34 N -0.59 4.63 0.00 4.37 1.04 -1.26 -4.73 113.70 117.16 1ot4 s SER 34 Ca 0.00 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1ot4 s SER 34 Cb 0.00 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.32 1ot4 s SER 34 CO 0.00 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.14 1ot4 n GLY 35 N -2.90 3.63 3.08 7.32 0.00 -0.12 -4.96 105.19 111.24 1ot4 n GLY 35 Ca 0.10 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 0.50 -0.22 4.61 0.00 -1.26 0.45 121.76 123.84 1ot4 s ALA 36 Ca 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 1ot4 s ALA 36 Cb 0.00 0.24 0.07 0.00 0.00 0.00 0.00 23.12 23.43 1ot4 s ALA 36 CO 0.00 -0.33 0.52 0.15 0.00 0.00 0.00 175.76 176.11 1ot4 s LYS 37 N -3.55 0.51 -0.01 0.00 -0.14 0.13 -4.93 119.74 111.75 1ot4 s LYS 37 Ca 0.04 0.99 -0.09 0.00 -1.36 0.00 0.00 55.97 55.56 1ot4 s LYS 37 Cb 0.05 0.10 -0.05 0.00 -1.68 0.00 0.00 37.83 36.25 1ot4 s LYS 37 CO -0.08 -0.16 0.28 -1.17 -0.76 0.00 0.00 175.35 173.46 1ot4 s LEU 38 N 1.64 4.39 -0.01 3.17 2.96 -1.26 -1.01 118.68 128.56 1ot4 s LEU 38 Ca -0.09 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1ot4 s LEU 38 Cb -0.08 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.06 1ot4 s LEU 38 CO -0.16 0.29 -0.03 0.68 -1.32 0.00 0.00 176.35 175.81 1ot4 s VAL 39 N -1.21 0.33 -0.78 1.68 -7.23 -1.11 -0.61 120.40 111.49 1ot4 s VAL 39 Ca 0.25 -0.12 -0.21 0.00 -1.81 0.00 0.00 61.98 60.09 1ot4 s VAL 39 Cb -0.14 -0.33 0.09 0.00 0.56 0.00 0.00 36.38 36.57 1ot4 s VAL 39 CO 0.13 0.13 1.05 -0.32 -0.31 0.00 0.00 175.10 175.78 1ot4 s MET 40 N 0.28 3.32 -0.90 4.82 1.75 0.29 -1.38 119.30 127.47 1ot4 s MET 40 Ca -0.03 -1.20 0.00 0.00 -1.25 0.00 0.00 55.69 53.22 1ot4 s MET 40 Cb -0.06 -4.55 0.31 0.00 2.84 0.00 0.00 34.83 33.36 1ot4 s MET 40 CO -0.00 -1.82 1.39 -2.37 -0.65 0.00 0.00 175.02 171.56 1ot4 n THR 41 N 5.82 4.72 -0.56 10.11 5.66 -0.61 -3.52 114.28 135.90 1ot4 n THR 41 Ca 0.09 -5.78 -0.19 0.00 -3.05 0.00 0.00 64.05 55.11 1ot4 n THR 41 Cb 0.47 -1.77 0.14 0.00 -1.55 0.00 0.00 70.33 67.62 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 0.47 -1.05 -1.00 1.79 0.00 -0.39 -4.50 120.51 115.83 1ot4 n ALA 42 Ca 0.35 -1.04 -0.36 0.00 0.00 0.00 0.00 53.44 52.39 1ot4 n ALA 42 Cb 0.33 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 18.92 1ot4 n ALA 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ot4 n MET 43 N -1.52 -0.01 -2.31 0.00 2.81 -1.26 -4.68 117.12 110.14 1ot4 n MET 43 Ca 0.05 -0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.59 1ot4 n MET 43 Cb 0.38 -1.02 -0.04 0.00 -0.71 0.00 0.00 33.22 31.84 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 -2.03 3.16 -0.14 0.03 0.04 -1.26 -4.65 135.00 130.14 1ot4 s PRO 44 Ca 0.40 -1.14 0.04 0.00 0.04 0.00 0.00 61.00 60.33 1ot4 s PRO 44 Cb -0.13 -5.30 -0.23 0.00 0.04 0.00 0.00 34.50 28.88 1ot4 s PRO 44 CO 0.80 -2.96 0.27 0.41 0.04 0.00 0.00 177.00 175.56 1ot4 n GLY 45 N 6.24 -0.69 3.53 0.56 0.00 -1.26 -5.00 105.19 108.57 1ot4 n GLY 45 Ca 0.42 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.55 1.88 -0.92 1.61 -1.94 -1.26 -5.06 119.30 111.07 1ot4 s MET 46 Ca -0.19 -2.12 -0.24 0.00 -1.71 0.00 0.00 55.69 51.43 1ot4 s MET 46 Cb 0.07 -0.86 -0.04 0.00 2.01 0.00 0.00 34.83 36.01 1ot4 s MET 46 CO 0.76 -0.35 1.90 -2.00 -0.01 0.00 0.00 175.02 175.31 1ot4 s GLU 47 N -3.79 2.66 -0.06 2.03 -6.30 -1.26 -4.30 118.70 107.68 1ot4 s GLU 47 Ca 0.26 -0.38 -0.01 0.00 -2.50 0.00 0.00 54.97 52.34 1ot4 s GLU 47 Cb 0.05 -5.09 0.00 0.00 0.00 0.00 0.00 34.13 29.09 1ot4 s GLU 47 CO 0.13 -3.26 0.02 0.72 0.02 0.00 0.00 175.26 172.89 1ot4 n HIS 48 N 13.47 -0.69 -3.26 5.30 8.25 -1.26 -4.94 115.22 132.08 1ot4 n HIS 48 Ca 0.39 0.30 -0.25 0.00 -0.26 0.00 0.00 57.72 57.91 1ot4 n HIS 48 Cb 0.47 -1.49 -0.07 0.00 1.12 0.00 0.00 29.99 30.03 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ot4 n SER 49 N 1.16 1.68 -4.79 0.41 7.64 -1.26 -5.11 113.62 113.34 1ot4 n SER 49 Ca -0.00 -3.02 -0.29 0.00 1.01 0.00 0.00 58.87 56.57 1ot4 n SER 49 Cb 0.43 -0.65 0.12 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.81 1.44 -0.17 1.43 0.04 -1.26 -4.92 135.00 129.75 1ot4 s PRO 50 Ca 0.38 0.40 -0.10 0.00 0.04 0.00 0.00 61.00 61.72 1ot4 s PRO 50 Cb 0.18 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.91 1ot4 s PRO 50 CO -0.07 -2.01 0.42 -1.64 0.04 0.00 0.00 177.00 173.73 1ot4 s MET 51 N -5.24 0.41 0.34 4.56 -1.94 -1.23 -5.00 119.30 111.20 1ot4 s MET 51 Ca 0.63 0.79 -0.25 0.00 -1.71 0.00 0.00 55.69 55.14 1ot4 s MET 51 Cb -0.15 0.00 -0.10 0.00 2.01 0.00 0.00 34.83 36.60 1ot4 s MET 51 CO 0.54 -0.15 0.96 0.00 -0.01 0.00 0.00 175.02 176.36 1ot4 s ALA 52 N 1.31 3.18 -0.02 3.03 0.00 -1.26 0.10 121.76 128.10 1ot4 s ALA 52 Ca -0.09 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1ot4 s ALA 52 Cb -0.08 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1ot4 s ALA 52 CO -0.12 0.11 -0.07 0.54 0.00 0.00 0.00 175.76 176.22 1ot4 s VAL 53 N -1.67 3.64 -0.58 0.00 0.11 0.22 -4.82 120.40 117.30 1ot4 s VAL 53 Ca 0.52 -0.68 -0.27 0.00 -2.93 0.00 0.00 61.98 58.63 1ot4 s VAL 53 Cb -0.18 -2.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1ot4 s VAL 53 CO 0.24 0.47 1.70 -0.54 -3.33 0.00 0.00 175.10 173.63 1ot4 s LYS 54 N -1.19 2.91 0.38 1.54 1.02 -1.26 -4.55 119.74 118.59 1ot4 s LYS 54 Ca 0.15 0.57 0.04 0.00 0.02 0.00 0.00 55.97 56.75 1ot4 s LYS 54 Cb -0.11 -4.29 -0.04 0.00 -0.52 0.00 0.00 37.83 32.87 1ot4 s LYS 54 CO 0.05 -2.40 0.09 0.00 -0.92 0.00 0.00 175.35 172.17 1ot4 s ALA 55 N 7.83 2.77 -0.00 5.17 0.00 -1.26 -3.62 121.76 132.65 1ot4 s ALA 55 Ca 0.62 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1ot4 s ALA 55 Cb -0.13 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1ot4 s ALA 55 CO 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 175.76 175.66 1ot4 s ALA 56 N -3.22 0.20 -0.27 0.00 0.00 -1.21 -4.89 121.76 112.36 1ot4 s ALA 56 Ca 0.28 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 1ot4 s ALA 56 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1ot4 s ALA 56 CO 0.14 0.03 0.16 0.08 0.00 0.00 0.00 175.76 176.17 1ot4 s VAL 57 N 0.07 5.02 0.46 0.00 1.01 -1.26 -1.43 120.40 124.28 1ot4 s VAL 57 Ca -0.00 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1ot4 s VAL 57 Cb -0.02 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1ot4 s VAL 57 CO -0.00 0.26 0.16 -0.44 0.00 0.00 0.00 175.10 175.08 1ot4 s SER 58 N 1.72 4.33 -0.00 3.32 0.01 -0.25 -4.98 113.70 117.85 1ot4 s SER 58 Ca 0.07 -1.29 -0.02 0.00 1.31 0.00 0.00 55.95 56.02 1ot4 s SER 58 Cb -0.16 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 1ot4 s SER 58 CO 0.09 -0.73 0.04 -0.83 0.41 0.00 0.00 173.24 172.22 1ot4 s GLY 59 N -3.96 0.07 0.00 3.44 0.00 -1.26 -0.19 107.32 105.43 1ot4 s GLY 59 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1ot4 s GLY 59 CO 0.17 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.66 1ot4 n GLY 60 N 2.28 -2.25 0.22 0.20 0.00 -0.90 -4.87 105.19 99.87 1ot4 n GLY 60 Ca -0.18 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 1ot4 n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ot4 h GLY 61 N 0.00 0.80 -3.83 -0.02 0.00 -2.02 -3.42 103.07 94.58 1ot4 h GLY 61 Ca 0.00 -0.12 -0.54 0.00 0.00 0.00 0.00 47.33 46.67 1ot4 h GLY 61 CO 0.00 -0.00 -0.33 0.51 0.00 0.00 0.00 176.54 176.71 1ot4 s ASP 62 N -5.40 6.40 0.00 0.19 1.47 -1.26 -4.97 116.67 113.10 1ot4 s ASP 62 Ca -0.13 0.42 0.24 0.00 1.18 0.00 0.00 52.55 54.26 1ot4 s ASP 62 Cb 0.16 -2.02 1.36 0.00 -0.34 0.00 0.00 42.92 42.08 1ot4 s ASP 62 CO 0.74 -0.03 1.79 -0.81 0.68 0.00 0.00 175.17 177.54 1ot4 n PRO 63 N -0.55 0.63 0.12 2.11 -0.04 -1.26 -2.16 135.00 133.85 1ot4 n PRO 63 Ca -0.04 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1ot4 n PRO 63 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 1ot4 n PRO 63 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1ot4 h LYS 64 N 0.00 0.00 -5.49 0.54 2.10 -1.91 -3.38 116.57 108.43 1ot4 h LYS 64 Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 1ot4 h LYS 64 Cb 0.06 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.30 1ot4 h LYS 64 CO 0.00 0.00 -0.43 0.99 -2.00 0.00 0.00 179.45 178.01 1ot4 s THR 65 N -3.28 5.39 0.04 0.07 2.01 -0.92 -2.25 115.64 116.71 1ot4 s THR 65 Ca 0.03 0.31 0.05 0.00 0.31 0.00 0.00 61.69 62.39 1ot4 s THR 65 Cb 0.09 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1ot4 s THR 65 CO 0.74 0.50 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.99 1ot4 s MET 66 N -0.20 0.94 -0.13 4.92 -1.94 -0.55 -2.12 119.30 120.22 1ot4 s MET 66 Ca 0.13 -0.77 -0.04 0.00 -1.71 0.00 0.00 55.69 53.30 1ot4 s MET 66 Cb -0.12 -0.95 0.06 0.00 2.01 0.00 0.00 34.83 35.83 1ot4 s MET 66 CO 0.02 0.23 0.21 0.14 -0.01 0.00 0.00 175.02 175.62 1ot4 s VAL 67 N -0.86 -0.33 -0.22 -6.03 -7.23 0.74 0.45 120.40 106.91 1ot4 s VAL 67 Ca 0.02 0.22 -0.24 0.00 -1.81 0.00 0.00 61.98 60.17 1ot4 s VAL 67 Cb -0.08 -0.44 -0.01 0.00 0.56 0.00 0.00 36.38 36.41 1ot4 s VAL 67 CO 0.01 0.05 0.78 -0.63 -0.31 0.00 0.00 175.10 175.00 1ot4 s ILE 68 N 2.35 4.89 -0.35 -0.62 1.09 0.15 -1.09 121.20 127.61 1ot4 s ILE 68 Ca 0.03 1.47 -0.00 0.00 -1.10 0.00 0.00 60.65 61.06 1ot4 s ILE 68 Cb -0.13 -4.07 0.12 0.00 -1.06 0.00 0.00 42.46 37.31 1ot4 s ILE 68 CO -0.08 -0.01 0.15 -0.89 -0.10 0.00 0.00 174.94 174.01 1ot4 s THR 69 N 2.53 0.87 0.18 2.92 2.01 -0.51 -0.53 115.64 123.11 1ot4 s THR 69 Ca 0.34 -1.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.30 1ot4 s THR 69 Cb -0.16 -1.64 -0.08 0.00 0.01 0.00 0.00 72.50 70.63 1ot4 s THR 69 CO 0.09 -0.78 1.12 -2.16 -0.69 0.00 0.00 174.62 172.19 1ot4 s PRO 70 N 1.21 4.58 0.25 4.92 0.04 -1.26 -3.32 135.00 141.41 1ot4 s PRO 70 Ca 0.13 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 1ot4 s PRO 70 Cb -0.20 -3.27 0.30 0.00 0.04 0.00 0.00 34.50 31.37 1ot4 s PRO 70 CO -0.15 0.05 1.69 0.00 0.04 0.00 0.00 177.00 178.63 1ot4 h ALA 71 N 5.09 1.01 -2.71 8.56 0.00 -1.90 -3.43 119.26 125.89 1ot4 h ALA 71 Ca -0.44 -0.33 -0.54 0.00 0.00 0.00 0.00 54.91 53.59 1ot4 h ALA 71 Cb 1.21 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1ot4 h ALA 71 CO 0.73 0.59 0.12 0.45 0.00 0.00 0.00 179.25 181.14 1ot4 s SER 72 N -6.74 7.27 0.12 0.00 0.15 -1.25 -5.03 113.70 108.21 1ot4 s SER 72 Ca -0.09 1.50 -0.30 0.00 0.70 0.00 0.00 55.95 57.77 1ot4 s SER 72 Cb 0.14 -2.46 -0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1ot4 s SER 72 CO 0.81 0.18 1.14 -2.16 1.20 0.00 0.00 173.24 174.41 1ot4 s PRO 73 N -0.87 4.52 -0.33 5.44 0.04 -1.26 -4.99 135.00 137.56 1ot4 s PRO 73 Ca 0.35 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 1ot4 s PRO 73 Cb -0.22 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1ot4 s PRO 73 CO 0.24 -0.08 1.08 -0.51 0.04 0.00 0.00 177.00 177.77 1ot4 s LEU 74 N 0.31 3.92 0.72 -3.56 1.43 -1.26 -5.02 118.68 115.22 1ot4 s LEU 74 Ca 0.54 1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 54.61 1ot4 s LEU 74 Cb -0.29 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.47 1ot4 s LEU 74 CO 0.32 -0.90 1.02 0.42 0.23 0.00 0.00 176.35 177.45 1ot4 s THR 75 N 3.70 2.26 1.08 5.49 -4.23 -1.26 -4.53 115.64 118.15 1ot4 s THR 75 Ca 0.46 -0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 60.44 1ot4 s THR 75 Cb -0.12 -2.93 0.06 0.00 1.34 0.00 0.00 72.50 70.85 1ot4 s THR 75 CO 0.16 0.00 -0.25 0.00 -0.54 0.00 0.00 174.62 173.99 1ot4 n ALA 76 N -2.95 -3.97 0.00 3.99 0.00 -1.26 -4.76 120.51 111.56 1ot4 n ALA 76 Ca 0.10 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1ot4 n ALA 76 Cb 0.60 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 2.37 0.09 3.06 0.00 0.00 0.27 -4.86 105.19 106.13 1ot4 n GLY 77 Ca 0.01 -2.05 -0.22 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 1.03 0.04 2.61 2.01 -1.26 -0.65 115.64 119.41 1ot4 s THR 78 Ca 0.00 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1ot4 s THR 78 Cb 0.00 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1ot4 s THR 78 CO 0.00 0.31 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.87 1ot4 s TYR 79 N 0.09 0.53 -0.15 4.92 1.51 -0.55 -1.26 117.35 122.44 1ot4 s TYR 79 Ca -0.03 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 1ot4 s TYR 79 Cb -0.09 -0.33 0.04 0.00 -0.11 0.00 0.00 41.96 41.47 1ot4 s TYR 79 CO 0.01 -0.12 -0.01 0.21 -1.11 0.00 0.00 175.55 174.52 1ot4 s LYS 80 N -1.58 0.96 0.27 -0.62 2.20 -0.48 -0.84 119.74 119.65 1ot4 s LYS 80 Ca -0.12 -0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.07 1ot4 s LYS 80 Cb -0.10 -1.76 -0.08 0.00 -1.51 0.00 0.00 37.83 34.39 1ot4 s LYS 80 CO -0.00 -0.46 0.62 0.08 -0.36 0.00 0.00 175.35 175.22 1ot4 s VAL 81 N 1.80 4.86 -0.10 4.02 1.01 -0.28 -2.73 120.40 128.97 1ot4 s VAL 81 Ca 0.01 0.59 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 1ot4 s VAL 81 Cb -0.15 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1ot4 s VAL 81 CO -0.07 -0.15 -0.07 -1.81 0.00 0.00 0.00 175.10 173.00 1ot4 s ASP 82 N -2.45 2.01 0.23 3.32 1.01 -0.18 0.39 116.67 120.99 1ot4 s ASP 82 Ca 0.49 -0.26 0.10 0.00 0.71 0.00 0.00 52.55 53.60 1ot4 s ASP 82 Cb -0.11 -0.76 -0.04 0.00 1.01 0.00 0.00 42.92 43.02 1ot4 s ASP 82 CO 0.21 -0.12 -0.11 -1.66 0.21 0.00 0.00 175.17 173.70 1ot4 s TRP 83 N 1.64 2.53 -0.10 4.23 1.48 0.24 0.21 118.94 129.17 1ot4 s TRP 83 Ca 0.03 -0.27 -0.05 0.00 -1.06 0.00 0.00 56.10 54.76 1ot4 s TRP 83 Cb -0.13 -1.17 0.05 0.00 -1.16 0.00 0.00 33.47 31.06 1ot4 s TRP 83 CO -0.07 0.59 0.23 1.03 -4.06 0.00 0.00 176.95 174.67 1ot4 s ARG 84 N -3.20 0.17 0.23 3.25 0.52 0.17 -0.91 118.95 119.18 1ot4 s ARG 84 Ca 0.27 0.53 0.08 0.00 -0.52 0.00 0.00 55.73 56.09 1ot4 s ARG 84 Cb -0.07 -0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 1ot4 s ARG 84 CO 0.16 -0.19 0.07 0.00 0.02 0.00 0.00 175.30 175.37 1ot4 s ALA 85 N 1.44 3.35 0.03 2.13 0.00 0.91 -0.94 121.76 128.68 1ot4 s ALA 85 Ca -0.07 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.46 1ot4 s ALA 85 Cb -0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 1ot4 s ALA 85 CO -0.08 0.33 -0.12 0.54 0.00 0.00 0.00 175.76 176.44 1ot4 s VAL 86 N -2.07 0.93 -0.42 0.00 0.11 -1.26 -0.89 120.40 116.80 1ot4 s VAL 86 Ca 0.31 -0.92 0.08 0.00 -2.93 0.00 0.00 61.98 58.53 1ot4 s VAL 86 Cb -0.08 -0.86 0.35 0.00 -1.53 0.00 0.00 36.38 34.26 1ot4 s VAL 86 CO 0.22 -0.05 1.07 -0.24 -3.33 0.00 0.00 175.10 172.76 1ot4 n SER 87 N 1.95 -1.37 -3.25 3.54 2.88 -1.26 -4.70 113.62 111.41 1ot4 n SER 87 Ca -0.18 -3.30 -0.11 0.00 -1.33 0.00 0.00 58.87 53.95 1ot4 n SER 87 Cb 0.55 1.10 0.01 0.00 -0.75 0.00 0.00 64.21 65.12 1ot4 n SER 87 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ot4 n SER 88 N 0.16 -6.37 -3.55 -3.46 2.88 -1.26 -5.00 113.62 97.02 1ot4 n SER 88 Ca 0.09 0.30 -0.07 0.00 -1.33 0.00 0.00 58.87 57.86 1ot4 n SER 88 Cb 0.72 -1.84 -0.02 0.00 -0.75 0.00 0.00 64.21 62.32 1ot4 n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ot4 s ASP 89 N -1.18 -0.26 0.00 -3.46 2.15 -1.26 -5.09 116.67 107.57 1ot4 s ASP 89 Ca 0.11 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.12 1ot4 s ASP 89 Cb -0.01 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 1ot4 s ASP 89 CO 0.29 -0.42 0.84 0.41 -0.17 0.00 0.00 175.17 176.12 1ot4 n THR 90 N -0.08 0.00 -2.84 1.71 -1.04 -1.26 -4.49 114.28 106.28 1ot4 n THR 90 Ca -0.05 1.34 -0.42 0.00 -2.04 0.00 0.00 64.05 62.89 1ot4 n THR 90 Cb 0.60 -2.27 -0.04 0.00 -1.82 0.00 0.00 70.33 66.81 1ot4 n THR 90 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1ot4 s HIS 91 N -2.37 3.37 0.91 -1.42 3.76 -1.26 -5.04 115.29 113.24 1ot4 s HIS 91 Ca 0.00 1.27 -0.12 0.00 -0.15 0.00 0.00 55.06 56.05 1ot4 s HIS 91 Cb 0.00 -3.08 0.14 0.00 1.11 0.00 0.00 32.58 30.75 1ot4 s HIS 91 CO 0.00 -0.34 1.14 -1.25 -0.85 0.00 0.00 174.74 173.44 1ot4 s PRO 92 N 2.58 1.12 -0.11 8.40 0.04 -1.26 -5.00 135.00 140.76 1ot4 s PRO 92 Ca 0.39 0.28 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 1ot4 s PRO 92 Cb -0.16 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1ot4 s PRO 92 CO 0.10 -2.21 0.45 0.42 0.04 0.00 0.00 177.00 175.79 1ot4 s ILE 93 N -3.28 5.19 0.38 0.56 1.09 -0.07 -4.97 121.20 120.09 1ot4 s ILE 93 Ca 0.64 0.89 0.08 0.00 -1.10 0.00 0.00 60.65 61.16 1ot4 s ILE 93 Cb -0.15 -3.78 -0.07 0.00 -1.06 0.00 0.00 42.46 37.40 1ot4 s ILE 93 CO 0.53 0.36 -0.02 0.42 -0.10 0.00 0.00 174.94 176.13 1ot4 s THR 94 N 0.44 2.17 0.00 2.92 -4.23 -1.26 -0.06 115.64 115.61 1ot4 s THR 94 Ca 0.24 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1ot4 s THR 94 Cb -0.15 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1ot4 s THR 94 CO 0.10 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1ot4 n GLY 95 N -0.92 1.04 3.11 3.99 0.00 -0.09 -4.75 105.19 107.57 1ot4 n GLY 95 Ca -0.05 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 1ot4 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ot4 s SER 96 N 0.00 0.35 -0.20 1.61 0.01 -1.26 0.79 113.70 115.00 1ot4 s SER 96 Ca 0.00 -0.83 -0.04 0.00 1.31 0.00 0.00 55.95 56.39 1ot4 s SER 96 Cb 0.00 0.23 0.07 0.00 0.21 0.00 0.00 66.02 66.53 1ot4 s SER 96 CO 0.00 -0.60 0.08 -0.69 0.41 0.00 0.00 173.24 172.44 1ot4 s VAL 97 N -3.58 0.13 0.04 3.43 1.01 0.16 -4.94 120.40 116.64 1ot4 s VAL 97 Ca 0.04 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 1ot4 s VAL 97 Cb 0.05 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 1ot4 s VAL 97 CO -0.09 -0.33 0.54 0.28 0.00 0.00 0.00 175.10 175.50 1ot4 s THR 98 N 2.03 4.84 -0.02 3.92 -1.32 -1.26 -1.13 115.64 122.71 1ot4 s THR 98 Ca 0.02 1.15 -0.18 0.00 -1.21 0.00 0.00 61.69 61.47 1ot4 s THR 98 Cb -0.16 -3.87 0.03 0.00 -1.51 0.00 0.00 72.50 66.99 1ot4 s THR 98 CO -0.13 0.52 0.39 0.72 -2.21 0.00 0.00 174.62 173.91 1ot4 s PHE 99 N -0.83 -0.28 0.39 9.09 -0.12 -0.02 0.46 117.98 126.67 1ot4 s PHE 99 Ca 0.28 0.44 0.07 0.00 -0.05 0.00 0.00 56.93 57.68 1ot4 s PHE 99 Cb -0.19 0.16 -0.00 0.00 -0.63 0.00 0.00 43.02 42.37 1ot4 s PHE 99 CO 0.17 -0.44 0.51 0.15 -0.05 0.00 0.00 175.22 175.56 1ot4 s LYS 100 N -1.34 2.89 -0.12 1.99 1.02 0.87 -1.48 119.74 123.57 1ot4 s LYS 100 Ca -0.13 -1.20 -0.04 0.00 0.02 0.00 0.00 55.97 54.63 1ot4 s LYS 100 Cb -0.04 -2.73 0.06 0.00 -0.52 0.00 0.00 37.83 34.60 1ot4 s LYS 100 CO 0.05 -0.14 0.19 0.08 -0.92 0.00 0.00 175.35 174.61 1ot4 s VAL 101 N -2.30 -0.29 -0.82 3.17 1.01 0.17 -3.69 120.40 117.65 1ot4 s VAL 101 Ca 0.50 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.78 1ot4 s VAL 101 Cb -0.09 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 35.93 1ot4 s VAL 101 CO 0.32 0.06 0.71 0.29 0.00 0.00 0.00 175.10 176.47